# Electronic Supplementary Material (ESI) for Chemical Science
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1_as-synthesis

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H78 Br6 Dy N9 O14 Zn2'
_chemical_formula_weight         1897.99

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   22.0395(5)
_cell_length_b                   16.0165(4)
_cell_length_c                   39.3819(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     13901.6(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    52039
_cell_measurement_theta_min      6.05
_cell_measurement_theta_max      55.01

_exptl_crystal_description       PLATELET
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7496
_exptl_absorpt_coefficient_mu    5.264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3528
_exptl_absorpt_correction_T_max  0.6487
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDE IP'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            36920
_diffrn_reflns_av_R_equivalents  0.1000
_diffrn_reflns_av_sigmaI/netI    0.0721
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         26.00
_reflns_number_total             13257
_reflns_number_gt                10424
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1230P)²+97.5568P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13257
_refine_ls_number_parameters     815
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.1014
_refine_ls_R_factor_gt           0.0821
_refine_ls_wR_factor_ref         0.2339
_refine_ls_wR_factor_gt          0.2161
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.50694(2) 0.63915(3) 0.120072(11) 0.03217(15) Uani 1 1 d . . .
Zn1 Zn 0.64664(5) 0.54782(7) 0.14599(3) 0.0379(3) Uani 1 1 d . . .
Zn2 Zn 0.37450(5) 0.74117(7) 0.15344(3) 0.0343(3) Uani 1 1 d . . .
Br1 Br 0.39993(5) 0.15133(7) 0.09727(3) 0.0531(3) Uani 1 1 d . . .
Br2 Br 0.74914(6) 0.61471(9) -0.02689(3) 0.0617(3) Uani 1 1 d . . .
Br3 Br 0.60294(7) 0.80482(10) 0.29813(3) 0.0663(4) Uani 1 1 d . . .
Br4 Br 0.58867(6) 1.12334(7) 0.06498(3) 0.0521(3) Uani 1 1 d . . .
Br5 Br 0.43430(6) 0.54178(9) 0.31289(3) 0.0649(4) Uani 1 1 d . . .
Br6 Br 0.21316(7) 0.62187(10) 0.00271(4) 0.0703(4) Uani 1 1 d . . .
N1 N 0.7217(4) 0.4630(6) 0.1328(2) 0.049(2) Uani 1 1 d . . .
N2 N 0.5963(4) 0.4219(5) 0.1364(2) 0.0411(19) Uani 1 1 d . . .
H2N H 0.5779 0.4362 0.1168 0.049 Uiso 1 1 d R . .
N3 N 0.6753(4) 0.5207(5) 0.1963(2) 0.0423(19) Uani 1 1 d . . .
H3N H 0.7053 0.5565 0.2018 0.051 Uiso 1 1 d R . .
N4 N 0.7134(4) 0.6409(5) 0.1326(2) 0.0423(19) Uani 1 1 d . . .
H4N H 0.7159 0.6729 0.1514 0.051 Uiso 1 1 d R . .
N5 N 0.2941(4) 0.8229(5) 0.1406(2) 0.0380(18) Uani 1 1 d . . .
N6 N 0.4177(4) 0.8546(5) 0.1288(2) 0.0388(18) Uani 1 1 d . . .
H6N H 0.4313 0.8328 0.1092 0.047 Uiso 1 1 d R . .
N7 N 0.3047(4) 0.6458(5) 0.1544(2) 0.0362(18) Uani 1 1 d . . .
H7N H 0.3092 0.6207 0.1747 0.043 Uiso 1 1 d R . .
N8 N 0.3598(4) 0.7938(5) 0.2026(2) 0.0372(18) Uani 1 1 d . . .
H8N H 0.3313 0.7620 0.2127 0.045 Uiso 1 1 d R . .
O1 O 0.4729(3) 0.5104(4) 0.12141(17) 0.0417(16) Uani 1 1 d . . .
O2 O 0.5984(3) 0.5738(4) 0.10052(15) 0.0376(15) Uani 1 1 d . . .
O3 O 0.5786(3) 0.6242(4) 0.16442(15) 0.0373(15) Uani 1 1 d . . .
O4 O 0.5386(3) 0.7672(4) 0.10770(17) 0.0371(14) Uani 1 1 d . . .
O5 O 0.4522(3) 0.6818(4) 0.16988(15) 0.0334(14) Uani 1 1 d . . .
O6 O 0.4078(3) 0.6889(4) 0.10778(17) 0.0351(14) Uani 1 1 d . . .
O7 O 0.4992(3) 0.6322(4) 0.05867(16) 0.0380(15) Uani 1 1 d . . .
H7O H 0.5024 0.6764 0.0467 0.046 Uiso 1 1 d R . .
C1 C 0.4578(4) 0.4316(6) 0.1154(3) 0.038(2) Uani 1 1 d . . .
C2 C 0.4085(5) 0.4114(7) 0.0946(3) 0.044(2) Uani 1 1 d . . .
H2 H 0.3860 0.4550 0.0842 0.052 Uiso 1 1 calc R . .
C3 C 0.3914(5) 0.3277(7) 0.0887(3) 0.044(2) Uani 1 1 d . . .
H3 H 0.3582 0.3151 0.0742 0.053 Uiso 1 1 calc R . .
C4 C 0.4234(5) 0.2646(6) 0.1042(3) 0.045(2) Uani 1 1 d . . .
C5 C 0.4728(5) 0.2824(6) 0.1251(2) 0.039(2) Uani 1 1 d . . .
H5 H 0.4950 0.2380 0.1352 0.046 Uiso 1 1 calc R . .
C6 C 0.4900(5) 0.3650(7) 0.1312(3) 0.043(2) Uani 1 1 d . . .
C7 C 0.5424(5) 0.3884(6) 0.1546(3) 0.041(2) Uani 1 1 d . . .
H7A H 0.5281 0.4308 0.1711 0.050 Uiso 1 1 calc R . .
H7B H 0.5548 0.3383 0.1677 0.050 Uiso 1 1 calc R . .
C8 C 0.6332(5) 0.5843(7) 0.0720(3) 0.041(2) Uani 1 1 d . . .
C9 C 0.6241(5) 0.5304(7) 0.0445(3) 0.047(2) Uani 1 1 d . . .
H9 H 0.5944 0.4876 0.0459 0.056 Uiso 1 1 calc R . .
C10 C 0.6583(4) 0.5390(7) 0.0150(3) 0.047(2) Uani 1 1 d . . .
H10 H 0.6510 0.5038 -0.0040 0.056 Uiso 1 1 calc R . .
C11 C 0.7035(5) 0.5998(7) 0.0135(3) 0.045(2) Uani 1 1 d . . .
C12 C 0.7159(6) 0.6495(8) 0.0423(3) 0.053(3) Uani 1 1 d . . .
H12 H 0.7483 0.6886 0.0416 0.064 Uiso 1 1 calc R . .
C13 C 0.6812(5) 0.6420(6) 0.0715(3) 0.040(2) Uani 1 1 d . . .
C14 C 0.6935(5) 0.6921(7) 0.1031(3) 0.044(2) Uani 1 1 d . . .
H14A H 0.7253 0.7339 0.0980 0.053 Uiso 1 1 calc R . .
H14B H 0.6562 0.7227 0.1094 0.053 Uiso 1 1 calc R . .
C15 C 0.5892(4) 0.6652(7) 0.1931(2) 0.038(2) Uani 1 1 d . . .
C16 C 0.5836(4) 0.7522(7) 0.1946(3) 0.041(2) Uani 1 1 d . . .
H16 H 0.5757 0.7826 0.1744 0.050 Uiso 1 1 calc R . .
C17 C 0.5894(5) 0.7961(8) 0.2259(3) 0.052(3) Uani 1 1 d . . .
H17 H 0.5853 0.8551 0.2268 0.062 Uiso 1 1 calc R . .
C18 C 0.6014(5) 0.7499(7) 0.2553(3) 0.045(2) Uani 1 1 d . . .
C19 C 0.6127(5) 0.6662(7) 0.2539(3) 0.047(2) Uani 1 1 d . . .
H19 H 0.6239 0.6375 0.2740 0.056 Uiso 1 1 calc R . .
C20 C 0.6080(4) 0.6207(7) 0.2230(2) 0.038(2) Uani 1 1 d . . .
C21 C 0.6244(5) 0.5299(7) 0.2212(3) 0.046(2) Uani 1 1 d . . .
H21A H 0.6372 0.5095 0.2438 0.056 Uiso 1 1 calc R . .
H21B H 0.5890 0.4967 0.2137 0.056 Uiso 1 1 calc R . .
C22 C 0.6400(6) 0.3563(7) 0.1256(4) 0.057(3) Uani 1 1 d . . .
H22A H 0.6206 0.3193 0.1086 0.068 Uiso 1 1 calc R . .
H22B H 0.6516 0.3219 0.1454 0.068 Uiso 1 1 calc R . .
C23 C 0.6968(6) 0.3960(8) 0.1101(4) 0.059(3) Uani 1 1 d . . .
H23A H 0.7280 0.3525 0.1066 0.071 Uiso 1 1 calc R . .
H23B H 0.6866 0.4204 0.0877 0.071 Uiso 1 1 calc R . .
C24 C 0.7743(5) 0.5999(7) 0.1290(3) 0.051(3) Uani 1 1 d . . .
H24A H 0.7942 0.5966 0.1515 0.061 Uiso 1 1 calc R . .
H24B H 0.8004 0.6340 0.1139 0.061 Uiso 1 1 calc R . .
C25 C 0.7676(5) 0.5124(8) 0.1143(3) 0.053(3) Uani 1 1 d . . .
H25A H 0.7556 0.5167 0.0901 0.063 Uiso 1 1 calc R . .
H25B H 0.8072 0.4834 0.1153 0.063 Uiso 1 1 calc R . .
C26 C 0.7008(6) 0.4361(7) 0.1947(3) 0.053(3) Uani 1 1 d . . .
H26A H 0.6679 0.3950 0.1911 0.064 Uiso 1 1 calc R . .
H26B H 0.7213 0.4225 0.2164 0.064 Uiso 1 1 calc R . .
C27 C 0.7463(5) 0.4312(8) 0.1656(3) 0.059(3) Uani 1 1 d . . .
H27A H 0.7828 0.4639 0.1716 0.070 Uiso 1 1 calc R . .
H27B H 0.7590 0.3723 0.1625 0.070 Uiso 1 1 calc R . .
C28 C 0.5506(4) 0.8442(6) 0.0991(2) 0.0326(19) Uani 1 1 d . . .
C29 C 0.5951(5) 0.8638(6) 0.0738(3) 0.039(2) Uani 1 1 d . . .
H29 H 0.6182 0.8199 0.0639 0.046 Uiso 1 1 calc R . .
C30 C 0.6052(4) 0.9458(7) 0.0632(3) 0.041(2) Uani 1 1 d . . .
H30 H 0.6328 0.9572 0.0453 0.050 Uiso 1 1 calc R . .
C31 C 0.5751(5) 1.0096(6) 0.0791(2) 0.040(2) Uani 1 1 d . . .
C32 C 0.5318(5) 0.9942(7) 0.1048(3) 0.042(2) Uani 1 1 d . . .
H32 H 0.5106 1.0391 0.1151 0.050 Uiso 1 1 calc R . .
C33 C 0.5208(4) 0.9126(7) 0.1148(2) 0.037(2) Uani 1 1 d . . .
C34 C 0.4749(4) 0.8929(6) 0.1425(2) 0.036(2) Uani 1 1 d . . .
H34A H 0.4935 0.8539 0.1590 0.043 Uiso 1 1 calc R . .
H34B H 0.4646 0.9450 0.1547 0.043 Uiso 1 1 calc R . .
C35 C 0.4492(4) 0.6522(6) 0.2019(2) 0.037(2) Uani 1 1 d . . .
C36 C 0.4610(5) 0.5659(7) 0.2084(3) 0.041(2) Uani 1 1 d . . .
H36 H 0.4701 0.5296 0.1901 0.050 Uiso 1 1 calc R . .
C37 C 0.4592(5) 0.5345(7) 0.2414(3) 0.049(3) Uani 1 1 d . . .
H37 H 0.4692 0.4777 0.2457 0.059 Uiso 1 1 calc R . .
C38 C 0.4426(5) 0.5869(8) 0.2681(3) 0.050(3) Uani 1 1 d . . .
C39 C 0.4306(4) 0.6694(7) 0.2626(3) 0.042(2) Uani 1 1 d . . .
H39 H 0.4199 0.7045 0.2811 0.050 Uiso 1 1 calc R . .
C40 C 0.4339(4) 0.7033(6) 0.2292(2) 0.038(2) Uani 1 1 d . . .
C41 C 0.4165(4) 0.7927(7) 0.2235(2) 0.039(2) Uani 1 1 d . . .
H41A H 0.4094 0.8208 0.2456 0.047 Uiso 1 1 calc R . .
H41B H 0.4495 0.8225 0.2115 0.047 Uiso 1 1 calc R . .
C42 C 0.3645(4) 0.6706(6) 0.0841(3) 0.038(2) Uani 1 1 d . . .
C43 C 0.3684(5) 0.7097(7) 0.0514(3) 0.041(2) Uani 1 1 d . . .
H43 H 0.4010 0.7463 0.0461 0.049 Uiso 1 1 calc R . .
C44 C 0.3230(5) 0.6928(7) 0.0272(3) 0.045(2) Uani 1 1 d . . .
H44 H 0.3252 0.7174 0.0053 0.054 Uiso 1 1 calc R . .
C45 C 0.2755(5) 0.6408(7) 0.0353(3) 0.047(3) Uani 1 1 d . . .
C46 C 0.2703(5) 0.6041(7) 0.0676(3) 0.045(2) Uani 1 1 d . . .
H46 H 0.2365 0.5698 0.0730 0.054 Uiso 1 1 calc R . .
C47 C 0.3163(5) 0.6193(7) 0.0920(3) 0.045(2) Uani 1 1 d . . .
C48 C 0.3129(5) 0.5814(7) 0.1271(3) 0.043(2) Uani 1 1 d . . .
H48A H 0.2785 0.5417 0.1279 0.051 Uiso 1 1 calc R . .
H48B H 0.3506 0.5496 0.1316 0.051 Uiso 1 1 calc R . .
C49 C 0.3715(4) 0.9178(6) 0.1171(2) 0.038(2) Uani 1 1 d . . .
H49A H 0.3669 0.9622 0.1344 0.046 Uiso 1 1 calc R . .
H49B H 0.3853 0.9441 0.0957 0.046 Uiso 1 1 calc R . .
C50 C 0.3116(4) 0.8752(6) 0.1115(2) 0.037(2) Uani 1 1 d . . .
H50A H 0.2799 0.9179 0.1075 0.045 Uiso 1 1 calc R . .
H50B H 0.3142 0.8399 0.0909 0.045 Uiso 1 1 calc R . .
C51 C 0.3353(5) 0.8802(6) 0.1966(3) 0.040(2) Uani 1 1 d . . .
H51A H 0.3671 0.9162 0.1865 0.048 Uiso 1 1 calc R . .
H51B H 0.3220 0.9055 0.2183 0.048 Uiso 1 1 calc R . .
C52 C 0.2805(5) 0.8721(6) 0.1717(3) 0.040(2) Uani 1 1 d . . .
H52A H 0.2463 0.8452 0.1839 0.048 Uiso 1 1 calc R . .
H52B H 0.2672 0.9287 0.1650 0.048 Uiso 1 1 calc R . .
C53 C 0.2452(4) 0.6869(7) 0.1552(3) 0.043(2) Uani 1 1 d . . .
H53A H 0.2357 0.7030 0.1789 0.052 Uiso 1 1 calc R . .
H53B H 0.2138 0.6468 0.1476 0.052 Uiso 1 1 calc R . .
C54 C 0.2424(5) 0.7662(7) 0.1322(3) 0.046(2) Uani 1 1 d . . .
H54A H 0.2447 0.7496 0.1080 0.055 Uiso 1 1 calc R . .
H54B H 0.2035 0.7957 0.1359 0.055 Uiso 1 1 calc R . .
C55 C 0.4754(6) 0.5648(7) 0.0373(3) 0.056(3) Uani 1 1 d . . .
H55A H 0.4978 0.5633 0.0158 0.083 Uiso 1 1 calc R . .
H55B H 0.4323 0.5747 0.0327 0.083 Uiso 1 1 calc R . .
H55C H 0.4801 0.5113 0.0491 0.083 Uiso 1 1 calc R . .
O1W O 0.434(4) 0.652(5) -0.050(2) 0.20(4) Uani 0.25 1 d PU . .
H1WA H 0.4196 0.6913 -0.0623 0.240 Uiso 0.25 1 d PR . .
H1WB H 0.4512 0.6722 -0.0329 0.240 Uiso 0.25 1 d PR . .
N9 N 0.7663(5) 0.7101(7) 0.2220(3) 0.056(2) Uani 1 1 d . . .
O8 O 0.7692(5) 0.6345(6) 0.2218(3) 0.072(3) Uani 1 1 d . . .
O9 O 0.7606(7) 0.7442(9) 0.1922(3) 0.110(4) Uani 1 1 d U . .
O10 O 0.7677(5) 0.7539(8) 0.2470(3) 0.098(4) Uani 1 1 d . . .
O11 O 0.7641(6) 0.5499(7) 0.2835(2) 0.084(3) Uani 1 1 d . . .
H11O H 0.7582 0.5840 0.2673 0.101 Uiso 1 1 d R . .
C56 C 0.8055(7) 0.4925(12) 0.2725(4) 0.088(5) Uani 1 1 d . . .
H56A H 0.8394 0.4899 0.2886 0.132 Uiso 1 1 calc R . .
H56B H 0.8206 0.5088 0.2501 0.132 Uiso 1 1 calc R . .
H56C H 0.7862 0.4375 0.2710 0.132 Uiso 1 1 calc R . .
O12 O 0.5025(4) 0.7546(6) 0.0133(2) 0.065(2) Uani 1 1 d . . .
H12O H 0.4869 0.8017 0.0188 0.077 Uiso 1 1 d R . .
C57 C 0.5489(8) 0.7543(10) -0.0106(4) 0.085(5) Uani 1 1 d . . .
H57A H 0.5540 0.8107 -0.0199 0.127 Uiso 1 1 calc R . .
H57B H 0.5385 0.7157 -0.0291 0.127 Uiso 1 1 calc R . .
H57C H 0.5868 0.7364 0.0001 0.127 Uiso 1 1 calc R . .
O13 O 0.4583(4) 0.9083(6) 0.0368(2) 0.071(2) Uani 1 1 d . . .
H13O H 0.4468 0.8994 0.0571 0.085 Uiso 1 1 d R . .
C58 C 0.4249(7) 0.9742(10) 0.0239(4) 0.074(4) Uani 1 1 d . . .
H58A H 0.4125 1.0112 0.0424 0.111 Uiso 1 1 calc R . .
H58B H 0.3887 0.9525 0.0124 0.111 Uiso 1 1 calc R . .
H58C H 0.4497 1.0054 0.0076 0.111 Uiso 1 1 calc R . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.195(7) . ?
Dy1 O4 2.221(6) . ?
Dy1 O3 2.366(6) . ?
Dy1 O6 2.375(6) . ?
Dy1 O2 2.397(6) . ?
Dy1 O5 2.402(6) . ?
Dy1 O7 2.427(6) . ?
Dy1 Zn1 3.5584(12) . ?
Dy1 Zn2 3.5941(11) . ?
Zn1 O3 2.068(7) . ?
Zn1 O2 2.124(7) . ?
Zn1 N3 2.126(8) . ?
Zn1 N4 2.160(9) . ?
Zn1 N1 2.203(9) . ?
Zn1 N2 2.333(8) . ?
Zn1 Zn2 6.7567(15) . ?
Zn2 O5 2.062(6) . ?
Zn2 O6 2.115(7) . ?
Zn2 N8 2.136(8) . ?
Zn2 N7 2.168(8) . ?
Zn2 N5 2.260(8) . ?
Zn2 N6 2.269(8) . ?
Br1 C4 1.907(10) . ?
Br2 C11 1.898(10) . ?
Br3 C18 1.903(10) . ?
Br4 C31 1.928(10) . ?
Br5 C38 1.915(11) . ?
Br6 C45 1.904(10) . ?
N1 C25 1.478(14) . ?
N1 C27 1.488(15) . ?
N1 C23 1.500(16) . ?
N2 C22 1.489(14) . ?
N2 C7 1.489(13) . ?
N2 H2N 0.8989 . ?
N3 C26 1.469(14) . ?
N3 C21 1.495(13) . ?
N3 H3N 0.9017 . ?
N4 C14 1.489(13) . ?
N4 C24 1.502(14) . ?
N4 H4N 0.9018 . ?
N5 C50 1.472(13) . ?
N5 C52 1.488(13) . ?
N5 C54 1.494(13) . ?
N6 C34 1.502(12) . ?
N6 C49 1.508(12) . ?
N6 H6N 0.9002 . ?
N7 C53 1.468(12) . ?
N7 C48 1.500(13) . ?
N7 H7N 0.9008 . ?
N8 C41 1.499(12) . ?
N8 C51 1.504(12) . ?
N8 H8N 0.9010 . ?
O1 C1 1.325(11) . ?
O2 C8 1.369(12) . ?
O3 C15 1.326(11) . ?
O4 C28 1.306(11) . ?
O5 C35 1.350(11) . ?
O6 C42 1.365(11) . ?
O7 C55 1.466(12) . ?
O7 H7O 0.8548 . ?
C1 C2 1.399(14) . ?
C1 C6 1.425(15) . ?
C2 C3 1.411(15) . ?
C2 H2 0.9500 . ?
C3 C4 1.374(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(15) . ?
C5 C6 1.397(14) . ?
C5 H5 0.9500 . ?
C6 C7 1.525(15) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.401(14) . ?
C8 C13 1.405(14) . ?
C9 C10 1.393(14) . ?
C9 H9 0.9500 . ?
C10 C11 1.394(15) . ?
C10 H10 0.9500 . ?
C11 C12 1.411(16) . ?
C12 C13 1.387(15) . ?
C12 H12 0.9500 . ?
C13 C14 1.506(14) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.400(15) . ?
C15 C20 1.439(14) . ?
C16 C17 1.426(15) . ?
C16 H16 0.9500 . ?
C17 C18 1.397(16) . ?
C17 H17 0.9500 . ?
C18 C19 1.366(16) . ?
C19 C20 1.418(15) . ?
C19 H19 0.9500 . ?
C20 C21 1.502(15) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.530(18) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.524(17) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.527(17) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C33 1.420(13) . ?
C28 C29 1.432(13) . ?
C29 C30 1.396(14) . ?
C29 H29 0.9500 . ?
C30 C31 1.369(15) . ?
C30 H30 0.9500 . ?
C31 C32 1.414(14) . ?
C32 C33 1.386(15) . ?
C32 H32 0.9500 . ?
C33 C34 1.519(13) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C40 1.392(14) . ?
C35 C36 1.429(14) . ?
C36 C37 1.394(15) . ?
C36 H36 0.9500 . ?
C37 C38 1.394(17) . ?
C37 H37 0.9500 . ?
C38 C39 1.366(16) . ?
C39 C40 1.423(14) . ?
C39 H39 0.9500 . ?
C40 C41 1.500(14) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C47 1.378(15) . ?
C42 C43 1.437(14) . ?
C43 C44 1.405(14) . ?
C43 H43 0.9500 . ?
C44 C45 1.375(16) . ?
C44 H44 0.9500 . ?
C45 C46 1.407(17) . ?
C46 C47 1.419(14) . ?
C46 H46 0.9500 . ?
C47 C48 1.510(15) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.502(14) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.560(14) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.560(15) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
O1W H1WA 0.8533 . ?
O1W H1WB 0.8501 . ?
N9 O10 1.209(14) . ?
N9 O8 1.212(13) . ?
N9 O9 1.302(15) . ?
O11 C56 1.37(2) . ?
O11 H11O 0.8524 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
O12 C57 1.392(16) . ?
O12 H12O 0.8552 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
O13 C58 1.385(16) . ?
O13 H13O 0.8489 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O4 168.6(2) . . ?
O1 Dy1 O3 96.6(3) . . ?
O4 Dy1 O3 92.6(2) . . ?
O1 Dy1 O6 90.3(3) . . ?
O4 Dy1 O6 86.3(2) . . ?
O3 Dy1 O6 142.9(2) . . ?
O1 Dy1 O2 83.4(3) . . ?
O4 Dy1 O2 93.9(2) . . ?
O3 Dy1 O2 68.4(2) . . ?
O6 Dy1 O2 148.6(2) . . ?
O1 Dy1 O5 94.4(2) . . ?
O4 Dy1 O5 94.3(2) . . ?
O3 Dy1 O5 76.2(2) . . ?
O6 Dy1 O5 67.0(2) . . ?
O2 Dy1 O5 144.0(2) . . ?
O1 Dy1 O7 87.5(2) . . ?
O4 Dy1 O7 81.1(2) . . ?
O3 Dy1 O7 141.0(2) . . ?
O6 Dy1 O7 75.4(2) . . ?
O2 Dy1 O7 73.7(2) . . ?
O5 Dy1 O7 142.3(2) . . ?
O1 Dy1 Zn1 84.4(2) . . ?
O4 Dy1 Zn1 99.83(18) . . ?
O3 Dy1 Zn1 33.85(16) . . ?
O6 Dy1 Zn1 172.83(16) . . ?
O2 Dy1 Zn1 35.46(15) . . ?
O5 Dy1 Zn1 108.52(14) . . ?
O7 Dy1 Zn1 109.11(16) . . ?
O1 Dy1 Zn2 98.11(19) . . ?
O4 Dy1 Zn2 85.16(17) . . ?
O3 Dy1 Zn2 108.54(16) . . ?
O6 Dy1 Zn2 34.42(16) . . ?
O2 Dy1 Zn2 176.80(16) . . ?
O5 Dy1 Zn2 33.28(14) . . ?
O7 Dy1 Zn2 109.18(16) . . ?
Zn1 Dy1 Zn2 141.70(3) . . ?
O3 Zn1 O2 79.4(2) . . ?
O3 Zn1 N3 90.5(3) . . ?
O2 Zn1 N3 167.2(3) . . ?
O3 Zn1 N4 99.8(3) . . ?
O2 Zn1 N4 90.0(3) . . ?
N3 Zn1 N4 99.5(3) . . ?
O3 Zn1 N1 173.1(3) . . ?
O2 Zn1 N1 107.4(3) . . ?
N3 Zn1 N1 82.5(3) . . ?
N4 Zn1 N1 81.8(3) . . ?
O3 Zn1 N2 102.9(3) . . ?
O2 Zn1 N2 78.1(3) . . ?
N3 Zn1 N2 96.7(3) . . ?
N4 Zn1 N2 151.8(3) . . ?
N1 Zn1 N2 77.6(3) . . ?
O3 Zn1 Dy1 39.60(17) . . ?
O2 Zn1 Dy1 40.90(17) . . ?
N3 Zn1 Dy1 127.5(2) . . ?
N4 Zn1 Dy1 103.6(2) . . ?
N1 Zn1 Dy1 146.7(3) . . ?
N2 Zn1 Dy1 84.1(2) . . ?
O3 Zn1 Zn2 21.47(17) . . ?
O2 Zn1 Zn2 60.13(17) . . ?
N3 Zn1 Zn2 108.5(2) . . ?
N4 Zn1 Zn2 107.4(2) . . ?
N1 Zn1 Zn2 163.7(3) . . ?
N2 Zn1 Zn2 88.9(2) . . ?
Dy1 Zn1 Zn2 19.249(15) . . ?
O5 Zn2 O6 78.2(2) . . ?
O5 Zn2 N8 91.4(3) . . ?
O6 Zn2 N8 168.3(3) . . ?
O5 Zn2 N7 105.0(3) . . ?
O6 Zn2 N7 89.0(3) . . ?
N8 Zn2 N7 98.9(3) . . ?
O5 Zn2 N5 171.1(3) . . ?
O6 Zn2 N5 108.2(3) . . ?
N8 Zn2 N5 81.7(3) . . ?
N7 Zn2 N5 81.7(3) . . ?
O5 Zn2 N6 98.9(3) . . ?
O6 Zn2 N6 79.0(3) . . ?
N8 Zn2 N6 97.8(3) . . ?
N7 Zn2 N6 150.4(3) . . ?
N5 Zn2 N6 76.7(3) . . ?
O5 Zn2 Dy1 39.74(17) . . ?
O6 Zn2 Dy1 39.39(17) . . ?
N8 Zn2 Dy1 129.4(2) . . ?
N7 Zn2 Dy1 105.2(2) . . ?
N5 Zn2 Dy1 144.9(2) . . ?
N6 Zn2 Dy1 82.4(2) . . ?
O5 Zn2 Zn1 20.86(17) . . ?
O6 Zn2 Zn1 58.22(17) . . ?
N8 Zn2 Zn1 110.8(2) . . ?
N7 Zn2 Zn1 107.9(2) . . ?
N5 Zn2 Zn1 162.1(2) . . ?
N6 Zn2 Zn1 88.6(2) . . ?
Dy1 Zn2 Zn1 19.050(15) . . ?
C25 N1 C27 111.3(9) . . ?
C25 N1 C23 109.8(9) . . ?
C27 N1 C23 113.9(9) . . ?
C25 N1 Zn1 107.4(6) . . ?
C27 N1 Zn1 106.3(7) . . ?
C23 N1 Zn1 107.8(7) . . ?
C22 N2 C7 113.5(8) . . ?
C22 N2 Zn1 110.4(7) . . ?
C7 N2 Zn1 127.8(6) . . ?
C22 N2 H2N 103.1 . . ?
C7 N2 H2N 98.4 . . ?
Zn1 N2 H2N 97.7 . . ?
C26 N3 C21 114.0(9) . . ?
C26 N3 Zn1 105.2(7) . . ?
C21 N3 Zn1 111.5(6) . . ?
C26 N3 H3N 108.5 . . ?
C21 N3 H3N 109.3 . . ?
Zn1 N3 H3N 108.2 . . ?
C14 N4 C24 115.4(9) . . ?
C14 N4 Zn1 111.7(6) . . ?
C24 N4 Zn1 109.3(6) . . ?
C14 N4 H4N 110.3 . . ?
C24 N4 H4N 105.7 . . ?
Zn1 N4 H4N 103.5 . . ?
C50 N5 C52 113.2(8) . . ?
C50 N5 C54 112.0(8) . . ?
C52 N5 C54 110.5(8) . . ?
C50 N5 Zn2 107.3(6) . . ?
C52 N5 Zn2 106.3(6) . . ?
C54 N5 Zn2 107.1(6) . . ?
C34 N6 C49 113.7(8) . . ?
C34 N6 Zn2 121.8(6) . . ?
C49 N6 Zn2 112.7(6) . . ?
C34 N6 H6N 100.6 . . ?
C49 N6 H6N 102.9 . . ?
Zn2 N6 H6N 101.3 . . ?
C53 N7 C48 115.5(8) . . ?
C53 N7 Zn2 108.6(6) . . ?
C48 N7 Zn2 112.8(6) . . ?
C53 N7 H7N 106.1 . . ?
C48 N7 H7N 108.5 . . ?
Zn2 N7 H7N 104.6 . . ?
C41 N8 C51 113.4(8) . . ?
C41 N8 Zn2 111.5(6) . . ?
C51 N8 Zn2 105.9(6) . . ?
C41 N8 H8N 109.3 . . ?
C51 N8 H8N 110.0 . . ?
Zn2 N8 H8N 106.5 . . ?
C1 O1 Dy1 167.3(6) . . ?
C8 O2 Zn1 115.7(6) . . ?
C8 O2 Dy1 132.9(6) . . ?
Zn1 O2 Dy1 103.6(2) . . ?
C15 O3 Zn1 117.6(6) . . ?
C15 O3 Dy1 134.1(6) . . ?
Zn1 O3 Dy1 106.5(3) . . ?
C28 O4 Dy1 173.0(6) . . ?
C35 O5 Zn2 114.6(6) . . ?
C35 O5 Dy1 133.5(6) . . ?
Zn2 O5 Dy1 107.0(2) . . ?
C42 O6 Zn2 115.0(5) . . ?
C42 O6 Dy1 135.3(6) . . ?
Zn2 O6 Dy1 106.2(3) . . ?
C55 O7 Dy1 129.2(7) . . ?
C55 O7 H7O 108.8 . . ?
Dy1 O7 H7O 120.4 . . ?
O1 C1 C2 121.4(9) . . ?
O1 C1 C6 120.7(9) . . ?
C2 C1 C6 117.9(9) . . ?
C1 C2 C3 121.6(10) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 H2 119.2 . . ?
C4 C3 C2 119.2(10) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 120.9(10) . . ?
C3 C4 Br1 119.8(9) . . ?
C5 C4 Br1 119.3(8) . . ?
C4 C5 C6 120.4(10) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 120.0(10) . . ?
C5 C6 C7 122.9(9) . . ?
C1 C6 C7 117.2(9) . . ?
N2 C7 C6 113.6(9) . . ?
N2 C7 H7A 108.9 . . ?
C6 C7 H7A 108.9 . . ?
N2 C7 H7B 108.9 . . ?
C6 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
O2 C8 C9 118.7(9) . . ?
O2 C8 C13 121.0(9) . . ?
C9 C8 C13 120.0(10) . . ?
C10 C9 C8 120.6(10) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C9 C10 C11 119.3(10) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 120.0(10) . . ?
C10 C11 Br2 120.0(8) . . ?
C12 C11 Br2 120.0(8) . . ?
C13 C12 C11 120.7(10) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C12 C13 C8 119.0(10) . . ?
C12 C13 C14 122.7(10) . . ?
C8 C13 C14 118.3(9) . . ?
N4 C14 C13 114.0(9) . . ?
N4 C14 H14A 108.8 . . ?
C13 C14 H14A 108.8 . . ?
N4 C14 H14B 108.8 . . ?
C13 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
O3 C15 C16 120.9(9) . . ?
O3 C15 C20 120.2(9) . . ?
C16 C15 C20 118.8(9) . . ?
C15 C16 C17 121.4(10) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C18 C17 C16 118.1(11) . . ?
C18 C17 H17 121.0 . . ?
C16 C17 H17 121.0 . . ?
C19 C18 C17 121.4(10) . . ?
C19 C18 Br3 119.1(8) . . ?
C17 C18 Br3 119.5(9) . . ?
C18 C19 C20 121.7(10) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 H19 119.2 . . ?
C19 C20 C15 118.0(10) . . ?
C19 C20 C21 121.4(9) . . ?
C15 C20 C21 120.6(9) . . ?
N3 C21 C20 108.0(9) . . ?
N3 C21 H21A 110.1 . . ?
C20 C21 H21A 110.1 . . ?
N3 C21 H21B 110.1 . . ?
C20 C21 H21B 110.1 . . ?
H21A C21 H21B 108.4 . . ?
N2 C22 C23 110.4(9) . . ?
N2 C22 H22A 109.6 . . ?
C23 C22 H22A 109.6 . . ?
N2 C22 H22B 109.6 . . ?
C23 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
N1 C23 C22 111.1(10) . . ?
N1 C23 H23A 109.4 . . ?
C22 C23 H23A 109.4 . . ?
N1 C23 H23B 109.4 . . ?
C22 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
N4 C24 C25 110.5(9) . . ?
N4 C24 H24A 109.5 . . ?
C25 C24 H24A 109.5 . . ?
N4 C24 H24B 109.5 . . ?
C25 C24 H24B 109.5 . . ?
H24A C24 H24B 108.1 . . ?
N1 C25 C24 111.8(9) . . ?
N1 C25 H25A 109.3 . . ?
C24 C25 H25A 109.3 . . ?
N1 C25 H25B 109.3 . . ?
C24 C25 H25B 109.3 . . ?
H25A C25 H25B 107.9 . . ?
N3 C26 C27 109.4(9) . . ?
N3 C26 H26A 109.8 . . ?
C27 C26 H26A 109.8 . . ?
N3 C26 H26B 109.8 . . ?
C27 C26 H26B 109.8 . . ?
H26A C26 H26B 108.3 . . ?
N1 C27 C26 113.2(9) . . ?
N1 C27 H27A 108.9 . . ?
C26 C27 H27A 108.9 . . ?
N1 C27 H27B 108.9 . . ?
C26 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
O4 C28 C33 121.4(8) . . ?
O4 C28 C29 121.7(8) . . ?
C33 C28 C29 116.9(9) . . ?
C30 C29 C28 121.5(9) . . ?
C30 C29 H29 119.3 . . ?
C28 C29 H29 119.3 . . ?
C31 C30 C29 119.3(9) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C30 C31 C32 121.6(9) . . ?
C30 C31 Br4 120.0(8) . . ?
C32 C31 Br4 118.4(8) . . ?
C33 C32 C31 119.1(9) . . ?
C33 C32 H32 120.4 . . ?
C31 C32 H32 120.4 . . ?
C32 C33 C28 121.4(9) . . ?
C32 C33 C34 121.1(9) . . ?
C28 C33 C34 117.4(9) . . ?
N6 C34 C33 112.8(8) . . ?
N6 C34 H34A 109.0 . . ?
C33 C34 H34A 109.0 . . ?
N6 C34 H34B 109.0 . . ?
C33 C34 H34B 109.0 . . ?
H34A C34 H34B 107.8 . . ?
O5 C35 C40 121.9(9) . . ?
O5 C35 C36 119.9(9) . . ?
C40 C35 C36 118.2(9) . . ?
C37 C36 C35 120.8(10) . . ?
C37 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C36 C37 C38 119.5(10) . . ?
C36 C37 H37 120.3 . . ?
C38 C37 H37 120.3 . . ?
C39 C38 C37 121.0(10) . . ?
C39 C38 Br5 119.5(8) . . ?
C37 C38 Br5 119.5(9) . . ?
C38 C39 C40 120.3(10) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C35 C40 C39 120.2(9) . . ?
C35 C40 C41 120.4(8) . . ?
C39 C40 C41 119.2(9) . . ?
N8 C41 C40 107.9(8) . . ?
N8 C41 H41A 110.1 . . ?
C40 C41 H41A 110.1 . . ?
N8 C41 H41B 110.1 . . ?
C40 C41 H41B 110.1 . . ?
H41A C41 H41B 108.4 . . ?
O6 C42 C47 120.8(9) . . ?
O6 C42 C43 118.6(9) . . ?
C47 C42 C43 120.5(9) . . ?
C44 C43 C42 118.8(10) . . ?
C44 C43 H43 120.6 . . ?
C42 C43 H43 120.6 . . ?
C45 C44 C43 120.2(10) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C44 C45 C46 121.6(10) . . ?
C44 C45 Br6 119.4(9) . . ?
C46 C45 Br6 119.0(8) . . ?
C45 C46 C47 118.9(10) . . ?
C45 C46 H46 120.5 . . ?
C47 C46 H46 120.5 . . ?
C42 C47 C46 120.0(10) . . ?
C42 C47 C48 119.0(9) . . ?
C46 C47 C48 121.0(10) . . ?
N7 C48 C47 112.6(9) . . ?
N7 C48 H48A 109.1 . . ?
C47 C48 H48A 109.1 . . ?
N7 C48 H48B 109.1 . . ?
C47 C48 H48B 109.1 . . ?
H48A C48 H48B 107.8 . . ?
C50 C49 N6 109.4(8) . . ?
C50 C49 H49A 109.8 . . ?
N6 C49 H49A 109.8 . . ?
C50 C49 H49B 109.8 . . ?
N6 C49 H49B 109.8 . . ?
H49A C49 H49B 108.2 . . ?
N5 C50 C49 112.0(8) . . ?
N5 C50 H50A 109.2 . . ?
C49 C50 H50A 109.2 . . ?
N5 C50 H50B 109.2 . . ?
C49 C50 H50B 109.2 . . ?
H50A C50 H50B 107.9 . . ?
N8 C51 C52 107.4(8) . . ?
N8 C51 H51A 110.2 . . ?
C52 C51 H51A 110.2 . . ?
N8 C51 H51B 110.2 . . ?
C52 C51 H51B 110.2 . . ?
H51A C51 H51B 108.5 . . ?
N5 C52 C51 113.8(8) . . ?
N5 C52 H52A 108.8 . . ?
C51 C52 H52A 108.8 . . ?
N5 C52 H52B 108.8 . . ?
C51 C52 H52B 108.8 . . ?
H52A C52 H52B 107.7 . . ?
N7 C53 C54 112.8(8) . . ?
N7 C53 H53A 109.0 . . ?
C54 C53 H53A 109.0 . . ?
N7 C53 H53B 109.0 . . ?
C54 C53 H53B 109.0 . . ?
H53A C53 H53B 107.8 . . ?
N5 C54 C53 109.7(8) . . ?
N5 C54 H54A 109.7 . . ?
C53 C54 H54A 109.7 . . ?
N5 C54 H54B 109.7 . . ?
C53 C54 H54B 109.7 . . ?
H54A C54 H54B 108.2 . . ?
O7 C55 H55A 109.5 . . ?
O7 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O7 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
H1WA O1W H1WB 108.9 . . ?
O10 N9 O8 125.7(12) . . ?
O10 N9 O9 119.5(12) . . ?
O8 N9 O9 114.8(12) . . ?
C56 O11 H11O 107.2 . . ?
O11 C56 H56A 109.5 . . ?
O11 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
O11 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C57 O12 H12O 117.9 . . ?
O12 C57 H57A 109.5 . . ?
O12 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
O12 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C58 O13 H13O 108.4 . . ?
O13 C58 H58A 109.5 . . ?
O13 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O13 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Dy1 Zn1 O3 -110.7(4) . . . . ?
O4 Dy1 Zn1 O3 79.9(4) . . . . ?
O6 Dy1 Zn1 O3 -68.0(13) . . . . ?
O2 Dy1 Zn1 O3 162.8(4) . . . . ?
O5 Dy1 Zn1 O3 -18.0(3) . . . . ?
O7 Dy1 Zn1 O3 163.9(4) . . . . ?
Zn2 Dy1 Zn1 O3 -14.7(3) . . . . ?
O1 Dy1 Zn1 O2 86.5(3) . . . . ?
O4 Dy1 Zn1 O2 -82.9(3) . . . . ?
O3 Dy1 Zn1 O2 -162.8(4) . . . . ?
O6 Dy1 Zn1 O2 129.2(13) . . . . ?
O5 Dy1 Zn1 O2 179.2(3) . . . . ?
O7 Dy1 Zn1 O2 1.1(3) . . . . ?
Zn2 Dy1 Zn1 O2 -177.6(3) . . . . ?
O1 Dy1 Zn1 N3 -86.1(4) . . . . ?
O4 Dy1 Zn1 N3 104.5(4) . . . . ?
O3 Dy1 Zn1 N3 24.6(4) . . . . ?
O6 Dy1 Zn1 N3 -43.4(13) . . . . ?
O2 Dy1 Zn1 N3 -172.6(4) . . . . ?
O5 Dy1 Zn1 N3 6.6(4) . . . . ?
O7 Dy1 Zn1 N3 -171.5(4) . . . . ?
Zn2 Dy1 Zn1 N3 9.9(3) . . . . ?
O1 Dy1 Zn1 N4 160.2(3) . . . . ?
O4 Dy1 Zn1 N4 -9.1(3) . . . . ?
O3 Dy1 Zn1 N4 -89.0(4) . . . . ?
O6 Dy1 Zn1 N4 -157.0(13) . . . . ?
O2 Dy1 Zn1 N4 73.8(4) . . . . ?
O5 Dy1 Zn1 N4 -107.0(3) . . . . ?
O7 Dy1 Zn1 N4 74.8(3) . . . . ?
Zn2 Dy1 Zn1 N4 -103.8(3) . . . . ?
O1 Dy1 Zn1 N1 64.4(5) . . . . ?
O4 Dy1 Zn1 N1 -104.9(5) . . . . ?
O3 Dy1 Zn1 N1 175.2(5) . . . . ?
O6 Dy1 Zn1 N1 107.1(14) . . . . ?
O2 Dy1 Zn1 N1 -22.0(5) . . . . ?
O5 Dy1 Zn1 N1 157.1(5) . . . . ?
O7 Dy1 Zn1 N1 -21.0(5) . . . . ?
Zn2 Dy1 Zn1 N1 160.4(4) . . . . ?
O1 Dy1 Zn1 N2 7.8(3) . . . . ?
O4 Dy1 Zn1 N2 -161.6(3) . . . . ?
O3 Dy1 Zn1 N2 118.5(4) . . . . ?
O6 Dy1 Zn1 N2 50.5(13) . . . . ?
O2 Dy1 Zn1 N2 -78.7(4) . . . . ?
O5 Dy1 Zn1 N2 100.5(3) . . . . ?
O7 Dy1 Zn1 N2 -77.6(3) . . . . ?
Zn2 Dy1 Zn1 N2 103.8(2) . . . . ?
O1 Dy1 Zn1 Zn2 -95.99(18) . . . . ?
O4 Dy1 Zn1 Zn2 94.65(18) . . . . ?
O3 Dy1 Zn1 Zn2 14.7(3) . . . . ?
O6 Dy1 Zn1 Zn2 -53.3(13) . . . . ?
O2 Dy1 Zn1 Zn2 177.6(3) . . . . ?
O5 Dy1 Zn1 Zn2 -3.27(16) . . . . ?
O7 Dy1 Zn1 Zn2 178.60(18) . . . . ?
O1 Dy1 Zn2 O5 85.6(3) . . . . ?
O4 Dy1 Zn2 O5 -105.4(3) . . . . ?
O3 Dy1 Zn2 O5 -14.3(3) . . . . ?
O6 Dy1 Zn2 O5 164.2(4) . . . . ?
O2 Dy1 Zn2 O5 -32(3) . . . . ?
O7 Dy1 Zn2 O5 175.7(3) . . . . ?
Zn1 Dy1 Zn2 O5 -5.7(3) . . . . ?
O1 Dy1 Zn2 O6 -78.6(3) . . . . ?
O4 Dy1 Zn2 O6 90.5(3) . . . . ?
O3 Dy1 Zn2 O6 -178.4(3) . . . . ?
O2 Dy1 Zn2 O6 164(3) . . . . ?
O5 Dy1 Zn2 O6 -164.2(4) . . . . ?
O7 Dy1 Zn2 O6 11.6(3) . . . . ?
Zn1 Dy1 Zn2 O6 -169.8(3) . . . . ?
O1 Dy1 Zn2 N8 105.7(3) . . . . ?
O4 Dy1 Zn2 N8 -85.2(3) . . . . ?
O3 Dy1 Zn2 N8 5.9(3) . . . . ?
O6 Dy1 Zn2 N8 -175.7(4) . . . . ?
O2 Dy1 Zn2 N8 -12(3) . . . . ?
O5 Dy1 Zn2 N8 20.2(4) . . . . ?
O7 Dy1 Zn2 N8 -164.1(3) . . . . ?
Zn1 Dy1 Zn2 N8 14.5(3) . . . . ?
O1 Dy1 Zn2 N7 -9.7(3) . . . . ?
O4 Dy1 Zn2 N7 159.3(3) . . . . ?
O3 Dy1 Zn2 N7 -109.6(3) . . . . ?
O6 Dy1 Zn2 N7 68.9(4) . . . . ?
O2 Dy1 Zn2 N7 -127(3) . . . . ?
O5 Dy1 Zn2 N7 -95.3(4) . . . . ?
O7 Dy1 Zn2 N7 80.4(3) . . . . ?
Zn1 Dy1 Zn2 N7 -100.9(2) . . . . ?
O1 Dy1 Zn2 N5 -107.0(4) . . . . ?
O4 Dy1 Zn2 N5 62.0(4) . . . . ?
O3 Dy1 Zn2 N5 153.2(4) . . . . ?
O6 Dy1 Zn2 N5 -28.4(5) . . . . ?
O2 Dy1 Zn2 N5 135(3) . . . . ?
O5 Dy1 Zn2 N5 167.4(5) . . . . ?
O7 Dy1 Zn2 N5 -16.8(4) . . . . ?
Zn1 Dy1 Zn2 N5 161.8(4) . . . . ?
O1 Dy1 Zn2 N6 -160.5(3) . . . . ?
O4 Dy1 Zn2 N6 8.6(3) . . . . ?
O3 Dy1 Zn2 N6 99.7(3) . . . . ?
O6 Dy1 Zn2 N6 -81.9(4) . . . . ?
O2 Dy1 Zn2 N6 82(3) . . . . ?
O5 Dy1 Zn2 N6 114.0(4) . . . . ?
O7 Dy1 Zn2 N6 -70.3(3) . . . . ?
Zn1 Dy1 Zn2 N6 108.3(2) . . . . ?
O1 Dy1 Zn2 Zn1 91.21(19) . . . . ?
O4 Dy1 Zn2 Zn1 -99.74(17) . . . . ?
O3 Dy1 Zn2 Zn1 -8.60(18) . . . . ?
O6 Dy1 Zn2 Zn1 169.8(3) . . . . ?
O2 Dy1 Zn2 Zn1 -26(3) . . . . ?
O5 Dy1 Zn2 Zn1 5.7(3) . . . . ?
O7 Dy1 Zn2 Zn1 -178.60(18) . . . . ?
O3 Zn1 Zn2 O5 -36.5(7) . . . . ?
O2 Zn1 Zn2 O5 171.7(6) . . . . ?
N3 Zn1 Zn2 O5 -2.0(6) . . . . ?
N4 Zn1 Zn2 O5 -108.7(6) . . . . ?
N1 Zn1 Zn2 O5 128.9(10) . . . . ?
N2 Zn1 Zn2 O5 94.8(5) . . . . ?
Dy1 Zn1 Zn2 O5 169.8(5) . . . . ?
O3 Zn1 Zn2 O6 161.3(6) . . . . ?
O2 Zn1 Zn2 O6 9.4(3) . . . . ?
N3 Zn1 Zn2 O6 -164.2(3) . . . . ?
N4 Zn1 Zn2 O6 89.1(3) . . . . ?
N1 Zn1 Zn2 O6 -33.3(9) . . . . ?
N2 Zn1 Zn2 O6 -67.5(3) . . . . ?
Dy1 Zn1 Zn2 O6 7.6(2) . . . . ?
O3 Zn1 Zn2 N8 -14.3(6) . . . . ?
O2 Zn1 Zn2 N8 -166.2(3) . . . . ?
N3 Zn1 Zn2 N8 20.2(4) . . . . ?
N4 Zn1 Zn2 N8 -86.5(4) . . . . ?
N1 Zn1 Zn2 N8 151.1(9) . . . . ?
N2 Zn1 Zn2 N8 116.9(3) . . . . ?
Dy1 Zn1 Zn2 N8 -168.0(3) . . . . ?
O3 Zn1 Zn2 N7 -121.6(6) . . . . ?
O2 Zn1 Zn2 N7 86.6(3) . . . . ?
N3 Zn1 Zn2 N7 -87.1(3) . . . . ?
N4 Zn1 Zn2 N7 166.2(3) . . . . ?
N1 Zn1 Zn2 N7 43.8(9) . . . . ?
N2 Zn1 Zn2 N7 9.6(3) . . . . ?
Dy1 Zn1 Zn2 N7 84.7(2) . . . . ?
O3 Zn1 Zn2 N5 117.8(9) . . . . ?
O2 Zn1 Zn2 N5 -34.0(7) . . . . ?
N3 Zn1 Zn2 N5 152.4(7) . . . . ?
N4 Zn1 Zn2 N5 45.7(8) . . . . ?
N1 Zn1 Zn2 N5 -76.7(11) . . . . ?
N2 Zn1 Zn2 N5 -110.9(7) . . . . ?
Dy1 Zn1 Zn2 N5 -35.8(7) . . . . ?
O3 Zn1 Zn2 N6 83.4(6) . . . . ?
O2 Zn1 Zn2 N6 -68.4(3) . . . . ?
N3 Zn1 Zn2 N6 118.0(3) . . . . ?
N4 Zn1 Zn2 N6 11.3(3) . . . . ?
N1 Zn1 Zn2 N6 -111.1(9) . . . . ?
N2 Zn1 Zn2 N6 -145.3(3) . . . . ?
Dy1 Zn1 Zn2 N6 -70.2(2) . . . . ?
O3 Zn1 Zn2 Dy1 153.7(5) . . . . ?
O2 Zn1 Zn2 Dy1 1.8(2) . . . . ?
N3 Zn1 Zn2 Dy1 -171.8(3) . . . . ?
N4 Zn1 Zn2 Dy1 81.5(3) . . . . ?
N1 Zn1 Zn2 Dy1 -40.9(9) . . . . ?
N2 Zn1 Zn2 Dy1 -75.1(2) . . . . ?
O3 Zn1 N1 C25 -119(3) . . . . ?
O2 Zn1 N1 C25 72.8(8) . . . . ?
N3 Zn1 N1 C25 -115.4(8) . . . . ?
N4 Zn1 N1 C25 -14.6(7) . . . . ?
N2 Zn1 N1 C25 146.0(8) . . . . ?
Dy1 Zn1 N1 C25 87.7(8) . . . . ?
Zn2 Zn1 N1 C25 110.9(9) . . . . ?
O3 Zn1 N1 C27 0(3) . . . . ?
O2 Zn1 N1 C27 -168.0(7) . . . . ?
N3 Zn1 N1 C27 3.8(7) . . . . ?
N4 Zn1 N1 C27 104.6(8) . . . . ?
N2 Zn1 N1 C27 -94.8(8) . . . . ?
Dy1 Zn1 N1 C27 -153.1(6) . . . . ?
Zn2 Zn1 N1 C27 -129.9(9) . . . . ?
O3 Zn1 N1 C23 123(3) . . . . ?
O2 Zn1 N1 C23 -45.5(8) . . . . ?
N3 Zn1 N1 C23 126.3(8) . . . . ?
N4 Zn1 N1 C23 -132.9(8) . . . . ?
N2 Zn1 N1 C23 27.7(7) . . . . ?
Dy1 Zn1 N1 C23 -30.6(10) . . . . ?
Zn2 Zn1 N1 C23 -7.4(14) . . . . ?
O3 Zn1 N2 C22 -175.2(7) . . . . ?
O2 Zn1 N2 C22 108.7(8) . . . . ?
N3 Zn1 N2 C22 -83.1(8) . . . . ?
N4 Zn1 N2 C22 41.8(11) . . . . ?
N1 Zn1 N2 C22 -2.3(8) . . . . ?
Dy1 Zn1 N2 C22 149.7(8) . . . . ?
Zn2 Zn1 N2 C22 168.4(7) . . . . ?
O3 Zn1 N2 C7 -29.3(8) . . . . ?
O2 Zn1 N2 C7 -105.4(8) . . . . ?
N3 Zn1 N2 C7 62.8(8) . . . . ?
N4 Zn1 N2 C7 -172.4(7) . . . . ?
N1 Zn1 N2 C7 143.6(8) . . . . ?
Dy1 Zn1 N2 C7 -64.4(8) . . . . ?
Zn2 Zn1 N2 C7 -45.7(8) . . . . ?
O3 Zn1 N3 C26 150.1(7) . . . . ?
O2 Zn1 N3 C26 112.3(14) . . . . ?
N4 Zn1 N3 C26 -109.8(7) . . . . ?
N1 Zn1 N3 C26 -29.5(7) . . . . ?
N2 Zn1 N3 C26 47.0(7) . . . . ?
Dy1 Zn1 N3 C26 134.7(6) . . . . ?
Zn2 Zn1 N3 C26 138.1(6) . . . . ?
O3 Zn1 N3 C21 26.1(7) . . . . ?
O2 Zn1 N3 C21 -11.7(18) . . . . ?
N4 Zn1 N3 C21 126.2(7) . . . . ?
N1 Zn1 N3 C21 -153.5(7) . . . . ?
N2 Zn1 N3 C21 -77.0(7) . . . . ?
Dy1 Zn1 N3 C21 10.7(8) . . . . ?
Zn2 Zn1 N3 C21 14.1(7) . . . . ?
O3 Zn1 N4 C14 -69.0(7) . . . . ?
O2 Zn1 N4 C14 10.3(7) . . . . ?
N3 Zn1 N4 C14 -161.2(7) . . . . ?
N1 Zn1 N4 C14 117.8(7) . . . . ?
N2 Zn1 N4 C14 74.5(9) . . . . ?
Dy1 Zn1 N4 C14 -28.7(7) . . . . ?
Zn2 Zn1 N4 C14 -48.3(7) . . . . ?
O3 Zn1 N4 C24 162.0(7) . . . . ?
O2 Zn1 N4 C24 -118.7(7) . . . . ?
N3 Zn1 N4 C24 69.8(7) . . . . ?
N1 Zn1 N4 C24 -11.2(7) . . . . ?
N2 Zn1 N4 C24 -54.5(11) . . . . ?
Dy1 Zn1 N4 C24 -157.7(7) . . . . ?
Zn2 Zn1 N4 C24 -177.3(6) . . . . ?
O5 Zn2 N5 C50 88.0(19) . . . . ?
O6 Zn2 N5 C50 -46.8(7) . . . . ?
N8 Zn2 N5 C50 126.7(6) . . . . ?
N7 Zn2 N5 C50 -132.9(6) . . . . ?
N6 Zn2 N5 C50 26.7(6) . . . . ?
Dy1 Zn2 N5 C50 -28.2(8) . . . . ?
Zn1 Zn2 N5 C50 -8.8(12) . . . . ?
O5 Zn2 N5 C52 -33(2) . . . . ?
O6 Zn2 N5 C52 -168.2(6) . . . . ?
N8 Zn2 N5 C52 5.3(6) . . . . ?
N7 Zn2 N5 C52 105.6(6) . . . . ?
N6 Zn2 N5 C52 -94.8(6) . . . . ?
Dy1 Zn2 N5 C52 -149.7(5) . . . . ?
Zn1 Zn2 N5 C52 -130.3(7) . . . . ?
O5 Zn2 N5 C54 -151.6(16) . . . . ?
O6 Zn2 N5 C54 73.6(6) . . . . ?
N8 Zn2 N5 C54 -112.9(6) . . . . ?
N7 Zn2 N5 C54 -12.5(6) . . . . ?
N6 Zn2 N5 C54 147.1(7) . . . . ?
Dy1 Zn2 N5 C54 92.2(7) . . . . ?
Zn1 Zn2 N5 C54 111.6(8) . . . . ?
O5 Zn2 N6 C34 -33.2(7) . . . . ?
O6 Zn2 N6 C34 -109.2(7) . . . . ?
N8 Zn2 N6 C34 59.4(7) . . . . ?
N7 Zn2 N6 C34 -176.8(6) . . . . ?
N5 Zn2 N6 C34 138.9(7) . . . . ?
Dy1 Zn2 N6 C34 -69.4(7) . . . . ?
Zn1 Zn2 N6 C34 -51.4(7) . . . . ?
O5 Zn2 N6 C49 -173.7(6) . . . . ?
O6 Zn2 N6 C49 110.3(6) . . . . ?
N8 Zn2 N6 C49 -81.1(6) . . . . ?
N7 Zn2 N6 C49 42.6(10) . . . . ?
N5 Zn2 N6 C49 -1.6(6) . . . . ?
Dy1 Zn2 N6 C49 150.1(6) . . . . ?
Zn1 Zn2 N6 C49 168.1(6) . . . . ?
O5 Zn2 N7 C53 159.8(6) . . . . ?
O6 Zn2 N7 C53 -122.7(6) . . . . ?
N8 Zn2 N7 C53 65.9(6) . . . . ?
N5 Zn2 N7 C53 -14.2(6) . . . . ?
N6 Zn2 N7 C53 -57.5(9) . . . . ?
Dy1 Zn2 N7 C53 -159.0(6) . . . . ?
Zn1 Zn2 N7 C53 -178.7(5) . . . . ?
O5 Zn2 N7 C48 -70.9(6) . . . . ?
O6 Zn2 N7 C48 6.6(6) . . . . ?
N8 Zn2 N7 C48 -164.7(6) . . . . ?
N5 Zn2 N7 C48 115.2(7) . . . . ?
N6 Zn2 N7 C48 71.8(9) . . . . ?
Dy1 Zn2 N7 C48 -29.7(6) . . . . ?
Zn1 Zn2 N7 C48 -49.4(6) . . . . ?
O5 Zn2 N8 C41 18.9(6) . . . . ?
O6 Zn2 N8 C41 -7.6(18) . . . . ?
N7 Zn2 N8 C41 124.3(6) . . . . ?
N5 Zn2 N8 C41 -155.5(7) . . . . ?
N6 Zn2 N8 C41 -80.3(6) . . . . ?
Dy1 Zn2 N8 C41 6.2(8) . . . . ?
Zn1 Zn2 N8 C41 11.2(7) . . . . ?
O5 Zn2 N8 C51 142.7(6) . . . . ?
O6 Zn2 N8 C51 116.2(14) . . . . ?
N7 Zn2 N8 C51 -111.9(6) . . . . ?
N5 Zn2 N8 C51 -31.7(6) . . . . ?
N6 Zn2 N8 C51 43.5(6) . . . . ?
Dy1 Zn2 N8 C51 130.0(5) . . . . ?
Zn1 Zn2 N8 C51 135.0(6) . . . . ?
O4 Dy1 O1 C1 30(4) . . . . ?
O3 Dy1 O1 C1 -114(3) . . . . ?
O6 Dy1 O1 C1 102(3) . . . . ?
O2 Dy1 O1 C1 -47(3) . . . . ?
O5 Dy1 O1 C1 169(3) . . . . ?
O7 Dy1 O1 C1 27(3) . . . . ?
Zn1 Dy1 O1 C1 -83(3) . . . . ?
Zn2 Dy1 O1 C1 136(3) . . . . ?
O3 Zn1 O2 C8 142.4(7) . . . . ?
N3 Zn1 O2 C8 -179.0(13) . . . . ?
N4 Zn1 O2 C8 42.4(7) . . . . ?
N1 Zn1 O2 C8 -39.0(7) . . . . ?
N2 Zn1 O2 C8 -111.9(7) . . . . ?
Dy1 Zn1 O2 C8 153.4(8) . . . . ?
Zn2 Zn1 O2 C8 152.5(7) . . . . ?
O3 Zn1 O2 Dy1 -11.1(3) . . . . ?
N3 Zn1 O2 Dy1 27.6(15) . . . . ?
N4 Zn1 O2 Dy1 -111.1(3) . . . . ?
N1 Zn1 O2 Dy1 167.5(3) . . . . ?
N2 Zn1 O2 Dy1 94.7(3) . . . . ?
Zn2 Zn1 O2 Dy1 -0.93(11) . . . . ?
O1 Dy1 O2 C8 123.7(8) . . . . ?
O4 Dy1 O2 C8 -45.2(8) . . . . ?
O3 Dy1 O2 C8 -136.5(9) . . . . ?
O6 Dy1 O2 C8 44.1(10) . . . . ?
O5 Dy1 O2 C8 -148.0(7) . . . . ?
O7 Dy1 O2 C8 34.4(8) . . . . ?
Zn1 Dy1 O2 C8 -146.7(10) . . . . ?
Zn2 Dy1 O2 C8 -118(3) . . . . ?
O1 Dy1 O2 Zn1 -89.6(3) . . . . ?
O4 Dy1 O2 Zn1 101.5(3) . . . . ?
O3 Dy1 O2 Zn1 10.2(3) . . . . ?
O6 Dy1 O2 Zn1 -169.3(3) . . . . ?
O5 Dy1 O2 Zn1 -1.3(5) . . . . ?
O7 Dy1 O2 Zn1 -179.0(3) . . . . ?
Zn2 Dy1 O2 Zn1 28(3) . . . . ?
O2 Zn1 O3 C15 -155.7(7) . . . . ?
N3 Zn1 O3 C15 32.2(7) . . . . ?
N4 Zn1 O3 C15 -67.5(7) . . . . ?
N1 Zn1 O3 C15 36(3) . . . . ?
N2 Zn1 O3 C15 129.3(7) . . . . ?
Dy1 Zn1 O3 C15 -167.0(8) . . . . ?
Zn2 Zn1 O3 C15 179.7(11) . . . . ?
O2 Zn1 O3 Dy1 11.4(3) . . . . ?
N3 Zn1 O3 Dy1 -160.7(3) . . . . ?
N4 Zn1 O3 Dy1 99.5(3) . . . . ?
N1 Zn1 O3 Dy1 -157(3) . . . . ?
N2 Zn1 O3 Dy1 -63.7(3) . . . . ?
Zn2 Zn1 O3 Dy1 -13.3(3) . . . . ?
O1 Dy1 O3 C15 -126.5(9) . . . . ?
O4 Dy1 O3 C15 60.1(9) . . . . ?
O6 Dy1 O3 C15 -27.1(10) . . . . ?
O2 Dy1 O3 C15 153.3(9) . . . . ?
O5 Dy1 O3 C15 -33.6(8) . . . . ?
O7 Dy1 O3 C15 139.3(8) . . . . ?
Zn1 Dy1 O3 C15 163.9(10) . . . . ?
Zn2 Dy1 O3 C15 -25.6(9) . . . . ?
O1 Dy1 O3 Zn1 69.5(3) . . . . ?
O4 Dy1 O3 Zn1 -103.8(3) . . . . ?
O6 Dy1 O3 Zn1 168.9(3) . . . . ?
O2 Dy1 O3 Zn1 -10.6(3) . . . . ?
O5 Dy1 O3 Zn1 162.4(3) . . . . ?
O7 Dy1 O3 Zn1 -24.7(5) . . . . ?
Zn2 Dy1 O3 Zn1 170.4(2) . . . . ?
O1 Dy1 O4 C28 63(5) . . . . ?
O3 Dy1 O4 C28 -153(5) . . . . ?
O6 Dy1 O4 C28 -10(5) . . . . ?
O2 Dy1 O4 C28 139(5) . . . . ?
O5 Dy1 O4 C28 -77(5) . . . . ?
O7 Dy1 O4 C28 66(5) . . . . ?
Zn1 Dy1 O4 C28 174(5) . . . . ?
Zn2 Dy1 O4 C28 -44(5) . . . . ?
O6 Zn2 O5 C35 -148.3(6) . . . . ?
N8 Zn2 O5 C35 37.0(6) . . . . ?
N7 Zn2 O5 C35 -62.6(7) . . . . ?
N5 Zn2 O5 C35 75(2) . . . . ?
N6 Zn2 O5 C35 135.1(6) . . . . ?
Dy1 Zn2 O5 C35 -158.5(8) . . . . ?
Zn1 Zn2 O5 C35 -163.6(10) . . . . ?
O6 Zn2 O5 Dy1 10.2(3) . . . . ?
N8 Zn2 O5 Dy1 -164.5(3) . . . . ?
N7 Zn2 O5 Dy1 95.9(3) . . . . ?
N5 Zn2 O5 Dy1 -126.3(17) . . . . ?
N6 Zn2 O5 Dy1 -66.5(3) . . . . ?
Zn1 Zn2 O5 Dy1 -5.2(3) . . . . ?
O1 Dy1 O5 C35 54.5(8) . . . . ?
O4 Dy1 O5 C35 -132.9(8) . . . . ?
O3 Dy1 O5 C35 -41.3(8) . . . . ?
O6 Dy1 O5 C35 143.0(8) . . . . ?
O2 Dy1 O5 C35 -30.3(10) . . . . ?
O7 Dy1 O5 C35 146.0(7) . . . . ?
Zn1 Dy1 O5 C35 -31.1(8) . . . . ?
Zn2 Dy1 O5 C35 152.6(9) . . . . ?
O1 Dy1 O5 Zn2 -98.2(3) . . . . ?
O4 Dy1 O5 Zn2 74.4(3) . . . . ?
O3 Dy1 O5 Zn2 166.1(3) . . . . ?
O6 Dy1 O5 Zn2 -9.6(2) . . . . ?
O2 Dy1 O5 Zn2 177.1(3) . . . . ?
O7 Dy1 O5 Zn2 -6.6(5) . . . . ?
Zn1 Dy1 O5 Zn2 176.31(19) . . . . ?
O5 Zn2 O6 C42 151.7(7) . . . . ?
N8 Zn2 O6 C42 178.8(13) . . . . ?
N7 Zn2 O6 C42 46.2(6) . . . . ?
N5 Zn2 O6 C42 -34.7(7) . . . . ?
N6 Zn2 O6 C42 -106.6(7) . . . . ?
Dy1 Zn2 O6 C42 162.0(8) . . . . ?
Zn1 Zn2 O6 C42 158.1(7) . . . . ?
O5 Zn2 O6 Dy1 -10.3(3) . . . . ?
N8 Zn2 O6 Dy1 16.8(16) . . . . ?
N7 Zn2 O6 Dy1 -115.8(3) . . . . ?
N5 Zn2 O6 Dy1 163.3(3) . . . . ?
N6 Zn2 O6 Dy1 91.4(3) . . . . ?
Zn1 Zn2 O6 Dy1 -3.89(11) . . . . ?
O1 Dy1 O6 C42 -52.6(9) . . . . ?
O4 Dy1 O6 C42 116.6(9) . . . . ?
O3 Dy1 O6 C42 -154.0(8) . . . . ?
O2 Dy1 O6 C42 25.2(11) . . . . ?
O5 Dy1 O6 C42 -147.2(9) . . . . ?
O7 Dy1 O6 C42 34.8(8) . . . . ?
Zn1 Dy1 O6 C42 -95.1(15) . . . . ?
Zn2 Dy1 O6 C42 -156.5(10) . . . . ?
O1 Dy1 O6 Zn2 104.0(3) . . . . ?
O4 Dy1 O6 Zn2 -86.9(3) . . . . ?
O3 Dy1 O6 Zn2 2.5(5) . . . . ?
O2 Dy1 O6 Zn2 -178.3(3) . . . . ?
O5 Dy1 O6 Zn2 9.4(2) . . . . ?
O7 Dy1 O6 Zn2 -168.7(3) . . . . ?
Zn1 Dy1 O6 Zn2 61.5(14) . . . . ?
O1 Dy1 O7 C55 4.1(8) . . . . ?
O4 Dy1 O7 C55 -175.3(9) . . . . ?
O3 Dy1 O7 C55 101.6(9) . . . . ?
O6 Dy1 O7 C55 -86.9(8) . . . . ?
O2 Dy1 O7 C55 87.9(8) . . . . ?
O5 Dy1 O7 C55 -89.8(9) . . . . ?
Zn1 Dy1 O7 C55 87.3(8) . . . . ?
Zn2 Dy1 O7 C55 -93.6(8) . . . . ?
Dy1 O1 C1 C2 -78(3) . . . . ?
Dy1 O1 C1 C6 104(3) . . . . ?
O1 C1 C2 C3 -178.7(9) . . . . ?
C6 C1 C2 C3 -1.1(15) . . . . ?
C1 C2 C3 C4 0.9(15) . . . . ?
C2 C3 C4 C5 -1.1(15) . . . . ?
C2 C3 C4 Br1 178.7(7) . . . . ?
C3 C4 C5 C6 1.4(15) . . . . ?
Br1 C4 C5 C6 -178.4(8) . . . . ?
C4 C5 C6 C1 -1.6(16) . . . . ?
C4 C5 C6 C7 178.1(9) . . . . ?
O1 C1 C6 C5 179.0(9) . . . . ?
C2 C1 C6 C5 1.5(15) . . . . ?
O1 C1 C6 C7 -0.7(15) . . . . ?
C2 C1 C6 C7 -178.2(9) . . . . ?
C22 N2 C7 C6 -88.9(11) . . . . ?
Zn1 N2 C7 C6 126.1(8) . . . . ?
C5 C6 C7 N2 109.4(11) . . . . ?
C1 C6 C7 N2 -70.9(12) . . . . ?
Zn1 O2 C8 C9 120.0(9) . . . . ?
Dy1 O2 C8 C9 -96.4(11) . . . . ?
Zn1 O2 C8 C13 -53.6(11) . . . . ?
Dy1 O2 C8 C13 90.1(11) . . . . ?
O2 C8 C9 C10 179.7(10) . . . . ?
C13 C8 C9 C10 -6.6(17) . . . . ?
C8 C9 C10 C11 2.5(17) . . . . ?
C9 C10 C11 C12 2.7(17) . . . . ?
C9 C10 C11 Br2 -178.2(9) . . . . ?
C10 C11 C12 C13 -3.8(18) . . . . ?
Br2 C11 C12 C13 177.2(9) . . . . ?
C11 C12 C13 C8 -0.3(17) . . . . ?
C11 C12 C13 C14 178.5(10) . . . . ?
O2 C8 C13 C12 179.0(10) . . . . ?
C9 C8 C13 C12 5.5(16) . . . . ?
O2 C8 C13 C14 0.1(15) . . . . ?
C9 C8 C13 C14 -173.4(10) . . . . ?
C24 N4 C14 C13 66.9(12) . . . . ?
Zn1 N4 C14 C13 -58.8(10) . . . . ?
C12 C13 C14 N4 -114.2(12) . . . . ?
C8 C13 C14 N4 64.7(13) . . . . ?
Zn1 O3 C15 C16 124.5(8) . . . . ?
Dy1 O3 C15 C16 -38.1(13) . . . . ?
Zn1 O3 C15 C20 -54.3(11) . . . . ?
Dy1 O3 C15 C20 143.2(7) . . . . ?
O3 C15 C16 C17 174.2(9) . . . . ?
C20 C15 C16 C17 -7.1(14) . . . . ?
C15 C16 C17 C18 0.4(15) . . . . ?
C16 C17 C18 C19 5.8(16) . . . . ?
C16 C17 C18 Br3 -174.9(8) . . . . ?
C17 C18 C19 C20 -5.2(17) . . . . ?
Br3 C18 C19 C20 175.5(8) . . . . ?
C18 C19 C20 C15 -1.7(15) . . . . ?
C18 C19 C20 C21 175.8(10) . . . . ?
O3 C15 C20 C19 -173.6(9) . . . . ?
C16 C15 C20 C19 7.6(14) . . . . ?
O3 C15 C20 C21 8.9(14) . . . . ?
C16 C15 C20 C21 -169.9(9) . . . . ?
C26 N3 C21 C20 173.6(9) . . . . ?
Zn1 N3 C21 C20 -67.6(9) . . . . ?
C19 C20 C21 N3 -119.0(10) . . . . ?
C15 C20 C21 N3 58.4(12) . . . . ?
C7 N2 C22 C23 -174.5(10) . . . . ?
Zn1 N2 C22 C23 -23.4(12) . . . . ?
C25 N1 C23 C22 -167.5(10) . . . . ?
C27 N1 C23 C22 66.9(12) . . . . ?
Zn1 N1 C23 C22 -50.8(11) . . . . ?
N2 C22 C23 N1 49.9(14) . . . . ?
C14 N4 C24 C25 -91.9(11) . . . . ?
Zn1 N4 C24 C25 35.0(11) . . . . ?
C27 N1 C25 C24 -77.6(12) . . . . ?
C23 N1 C25 C24 155.4(10) . . . . ?
Zn1 N1 C25 C24 38.4(11) . . . . ?
N4 C24 C25 N1 -50.4(13) . . . . ?
C21 N3 C26 C27 172.7(9) . . . . ?
Zn1 N3 C26 C27 50.2(10) . . . . ?
C25 N1 C27 C26 139.4(10) . . . . ?
C23 N1 C27 C26 -95.8(12) . . . . ?
Zn1 N1 C27 C26 22.8(12) . . . . ?
N3 C26 C27 N1 -50.8(14) . . . . ?
Dy1 O4 C28 C33 64(5) . . . . ?
Dy1 O4 C28 C29 -118(5) . . . . ?
O4 C28 C29 C30 176.3(9) . . . . ?
C33 C28 C29 C30 -4.9(14) . . . . ?
C28 C29 C30 C31 4.6(14) . . . . ?
C29 C30 C31 C32 -2.9(14) . . . . ?
C29 C30 C31 Br4 179.8(7) . . . . ?
C30 C31 C32 C33 1.6(14) . . . . ?
Br4 C31 C32 C33 178.9(7) . . . . ?
C31 C32 C33 C28 -1.9(14) . . . . ?
C31 C32 C33 C34 179.8(9) . . . . ?
O4 C28 C33 C32 -177.6(9) . . . . ?
C29 C28 C33 C32 3.5(13) . . . . ?
O4 C28 C33 C34 0.7(13) . . . . ?
C29 C28 C33 C34 -178.1(8) . . . . ?
C49 N6 C34 C33 -85.5(10) . . . . ?
Zn2 N6 C34 C33 134.4(7) . . . . ?
C32 C33 C34 N6 107.0(10) . . . . ?
C28 C33 C34 N6 -71.4(11) . . . . ?
Zn2 O5 C35 C40 -54.5(11) . . . . ?
Dy1 O5 C35 C40 154.4(7) . . . . ?
Zn2 O5 C35 C36 124.4(8) . . . . ?
Dy1 O5 C35 C36 -26.7(13) . . . . ?
O5 C35 C36 C37 178.9(9) . . . . ?
C40 C35 C36 C37 -2.2(15) . . . . ?
C35 C36 C37 C38 3.4(16) . . . . ?
C36 C37 C38 C39 -2.7(16) . . . . ?
C36 C37 C38 Br5 175.3(8) . . . . ?
C37 C38 C39 C40 0.8(16) . . . . ?
Br5 C38 C39 C40 -177.2(8) . . . . ?
O5 C35 C40 C39 179.2(9) . . . . ?
C36 C35 C40 C39 0.3(15) . . . . ?
O5 C35 C40 C41 3.6(15) . . . . ?
C36 C35 C40 C41 -175.3(9) . . . . ?
C38 C39 C40 C35 0.4(15) . . . . ?
C38 C39 C40 C41 176.1(9) . . . . ?
C51 N8 C41 C40 176.9(8) . . . . ?
Zn2 N8 C41 C40 -63.7(8) . . . . ?
C35 C40 C41 N8 63.0(12) . . . . ?
C39 C40 C41 N8 -112.6(10) . . . . ?
Zn2 O6 C42 C47 -55.6(11) . . . . ?
Dy1 O6 C42 C47 99.5(10) . . . . ?
Zn2 O6 C42 C43 120.9(8) . . . . ?
Dy1 O6 C42 C43 -84.0(11) . . . . ?
O6 C42 C43 C44 -178.3(8) . . . . ?
C47 C42 C43 C44 -1.8(14) . . . . ?
C42 C43 C44 C45 1.0(15) . . . . ?
C43 C44 C45 C46 0.9(16) . . . . ?
C43 C44 C45 Br6 177.8(8) . . . . ?
C44 C45 C46 C47 -2.1(16) . . . . ?
Br6 C45 C46 C47 -179.0(8) . . . . ?
O6 C42 C47 C46 177.1(9) . . . . ?
C43 C42 C47 C46 0.6(15) . . . . ?
O6 C42 C47 C48 -1.7(15) . . . . ?
C43 C42 C47 C48 -178.2(9) . . . . ?
C45 C46 C47 C42 1.3(15) . . . . ?
C45 C46 C47 C48 -180.0(10) . . . . ?
C53 N7 C48 C47 70.3(11) . . . . ?
Zn2 N7 C48 C47 -55.4(10) . . . . ?
C42 C47 C48 N7 64.9(12) . . . . ?
C46 C47 C48 N7 -113.9(11) . . . . ?
C34 N6 C49 C50 -167.3(8) . . . . ?
Zn2 N6 C49 C50 -23.5(9) . . . . ?
C52 N5 C50 C49 67.0(10) . . . . ?
C54 N5 C50 C49 -167.2(8) . . . . ?
Zn2 N5 C50 C49 -49.9(9) . . . . ?
N6 C49 C50 N5 49.5(10) . . . . ?
C41 N8 C51 C52 174.6(8) . . . . ?
Zn2 N8 C51 C52 52.0(9) . . . . ?
C50 N5 C52 C51 -95.3(10) . . . . ?
C54 N5 C52 C51 138.2(9) . . . . ?
Zn2 N5 C52 C51 22.3(10) . . . . ?
N8 C51 C52 N5 -50.9(11) . . . . ?
C48 N7 C53 C54 -88.8(10) . . . . ?
Zn2 N7 C53 C54 39.0(9) . . . . ?
C50 N5 C54 C53 153.1(8) . . . . ?
C52 N5 C54 C53 -79.7(10) . . . . ?
Zn2 N5 C54 C53 35.7(9) . . . . ?
N7 C53 C54 N5 -52.0(11) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H3N O8 0.90 2.04 2.934(13) 171.2 .
N4 H4N O9 0.90 2.20 3.052(16) 156.9 .
N7 H7N O11 0.90 2.23 3.025(14) 146.4 6_556
N8 H8N O10 0.90 2.12 2.910(13) 145.6 6_556
O7 H7O O12 0.85 1.81 2.653(11) 166.5 .
O11 H11O O8 0.85 1.98 2.785(14) 157.4 .
O12 H12O O13 0.86 1.95 2.804(13) 172.1 .
O1W H1WA Br4 0.85 2.98 3.68(9) 141.7 5_675
O1W H1WB O12 0.85 2.52 3.36(10) 170.5 .
C36 H36 O1 0.95 2.72 3.551(12) 146.2 .
C48 H48B O1 0.99 2.80 3.714(13) 154.0 .
C14 H14B O4 0.99 2.69 3.624(13) 157.9 .
C16 H16 O4 0.95 2.76 3.572(12) 143.7 .

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         2.540
_refine_diff_density_min         -1.829
_refine_diff_density_rms         0.209
_database_code_depnum_ccdc_archive 'CCDC 924441'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H62 Br6 Dy N9 O10 Zn2'
_chemical_formula_weight         1769.83

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   20.5186(14)
_cell_length_b                   16.4699(11)
_cell_length_c                   37.585(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     12701.4(15)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    15921
_cell_measurement_theta_min      6.05
_cell_measurement_theta_max      54.97

_exptl_crystal_description       PLATELET
_exptl_crystal_colour            COLORLESS
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6920
_exptl_absorpt_coefficient_mu    5.749
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3781
_exptl_absorpt_correction_T_max  0.7242
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDE IP'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31510
_diffrn_reflns_av_R_equivalents  0.1356
_diffrn_reflns_av_sigmaI/netI    0.1539
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         3.12
_diffrn_reflns_theta_max         26.00
_reflns_number_total             12128
_reflns_number_gt                5224
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0612P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12128
_refine_ls_number_parameters     742
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1746
_refine_ls_R_factor_gt           0.0725
_refine_ls_wR_factor_ref         0.1736
_refine_ls_wR_factor_gt          0.1359
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_restrained_S_all      0.944
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.47931(3) 0.08832(4) 0.615922(15) 0.05811(19) Uani 1 1 d . . .
Br1 Br 0.43975(8) -0.34842(10) 0.51811(5) 0.1063(6) Uani 1 1 d . . .
Br2 Br 0.82721(7) 0.04520(10) 0.50897(4) 0.0900(5) Uani 1 1 d . . .
Br3 Br 0.52446(7) 0.18681(9) 0.81569(4) 0.0827(4) Uani 1 1 d . . .
Br4 Br 0.57415(7) 0.57068(9) 0.60825(4) 0.0941(5) Uani 1 1 d . . .
Br5 Br 0.22149(7) 0.21588(9) 0.46003(3) 0.0793(4) Uani 1 1 d . . .
Br6 Br 0.39509(6) -0.10360(8) 0.79142(3) 0.0726(4) Uani 1 1 d . . .
Zn1 Zn 0.61796(6) -0.02872(8) 0.65703(3) 0.0584(4) Uani 1 1 d . . .
Zn2 Zn 0.32061(6) 0.18232(8) 0.64349(4) 0.0589(4) Uani 1 1 d . . .
O1 O 0.4491(3) -0.0348(5) 0.60215(19) 0.060(2) Uani 1 1 d . . .
O1W O 0.6888(4) 0.1752(5) 0.7174(2) 0.084(3) Uani 1 1 d G . .
H1WB H 0.6729 0.2220 0.7301 0.100 Uiso 1 1 d R . .
H1WA H 0.7162 0.1377 0.7301 0.100 Uiso 1 1 d R . .
O2 O 0.5747(4) 0.0593(5) 0.5906(2) 0.067(2) Uani 1 1 d . . .
O3 O 0.5369(3) 0.0425(4) 0.66698(19) 0.058(2) Uani 1 1 d . . .
O4 O 0.5098(3) 0.2147(5) 0.62281(18) 0.057(2) Uani 1 1 d . . .
O5 O 0.4026(4) 0.1405(5) 0.5822(2) 0.078(3) Uani 1 1 d . . .
O6 O 0.3913(3) 0.1004(4) 0.65721(18) 0.0539(19) Uani 1 1 d . . .
O7 O 0.1966(4) 0.0512(6) 0.6859(2) 0.088(3) Uani 1 1 d . . .
O8 O 0.1660(4) -0.0618(6) 0.7107(2) 0.081(3) Uani 1 1 d . . .
O9 O 0.2064(4) 0.0358(6) 0.7433(3) 0.080(3) Uani 1 1 d . . .
N1 N 0.7029(4) -0.1187(6) 0.6531(2) 0.057(2) Uani 1 1 d . . .
N2 N 0.5830(4) -0.1044(5) 0.6171(2) 0.054(2) Uani 1 1 d . . .
H2 H 0.5662 -0.0693 0.6000 0.065 Uiso 1 1 calc R . .
N3 N 0.6910(4) 0.0596(6) 0.6550(2) 0.064(3) Uani 1 1 d . . .
H3 H 0.6863 0.0893 0.6759 0.076 Uiso 1 1 calc R . .
N4 N 0.6215(4) -0.0727(5) 0.7097(2) 0.056(2) Uani 1 1 d . . .
H4 H 0.6502 -0.0400 0.7224 0.067 Uiso 1 1 calc R . .
N5 N 0.2406(4) 0.2746(6) 0.6357(3) 0.062(3) Uani 1 1 d . . .
N6 N 0.3760(4) 0.2795(6) 0.6258(2) 0.063(3) Uani 1 1 d . . .
H6 H 0.4033 0.2570 0.6086 0.075 Uiso 1 1 calc R . .
N7 N 0.2532(4) 0.1057(6) 0.6169(2) 0.063(3) Uani 1 1 d . . .
H7 H 0.2442 0.0637 0.6326 0.075 Uiso 1 1 calc R . .
N8 N 0.2900(4) 0.1893(5) 0.6964(2) 0.057(3) Uani 1 1 d . . .
H8 H 0.2586 0.1492 0.6996 0.068 Uiso 1 1 calc R . .
N9 N 0.1893(5) 0.0085(7) 0.7129(3) 0.066(3) Uani 1 1 d . . .
C1 C 0.4458(5) -0.1034(7) 0.5832(3) 0.054(3) Uani 1 1 d . . .
C2 C 0.4068(6) -0.1131(7) 0.5531(3) 0.063(3) Uani 1 1 d . . .
H2A H 0.3807 -0.0688 0.5454 0.075 Uiso 1 1 calc R . .
C3 C 0.4048(6) -0.1853(8) 0.5339(3) 0.065(3) Uani 1 1 d . . .
H3A H 0.3779 -0.1895 0.5134 0.079 Uiso 1 1 calc R . .
C4 C 0.4417(6) -0.2504(8) 0.5445(3) 0.070(4) Uani 1 1 d . . .
C5 C 0.4807(6) -0.2432(8) 0.5746(3) 0.073(4) Uani 1 1 d . . .
H5 H 0.5061 -0.2885 0.5820 0.088 Uiso 1 1 calc R . .
C6 C 0.4836(5) -0.1721(7) 0.5942(3) 0.056(3) Uani 1 1 d . . .
C7 C 0.5282(5) -0.1603(7) 0.6256(3) 0.063(3) Uani 1 1 d . . .
H7A H 0.5029 -0.1378 0.6457 0.076 Uiso 1 1 calc R . .
H7B H 0.5459 -0.2135 0.6330 0.076 Uiso 1 1 calc R . .
C8 C 0.6392(6) -0.1458(8) 0.5988(3) 0.065(3) Uani 1 1 d . . .
H8A H 0.6634 -0.1062 0.5841 0.078 Uiso 1 1 calc R . .
H8B H 0.6228 -0.1895 0.5831 0.078 Uiso 1 1 calc R . .
C9 C 0.6839(6) -0.1813(7) 0.6270(3) 0.065(3) Uani 1 1 d . . .
H9A H 0.6614 -0.2264 0.6393 0.078 Uiso 1 1 calc R . .
H9B H 0.7235 -0.2036 0.6154 0.078 Uiso 1 1 calc R . .
C10 C 0.6305(6) 0.0593(7) 0.5729(3) 0.058(3) Uani 1 1 d . . .
C11 C 0.6330(6) 0.0280(6) 0.5379(3) 0.057(3) Uani 1 1 d . . .
H11 H 0.5940 0.0096 0.5269 0.068 Uiso 1 1 calc R . .
C12 C 0.6913(7) 0.0237(8) 0.5192(3) 0.070(4) Uani 1 1 d . . .
H12 H 0.6921 0.0036 0.4955 0.084 Uiso 1 1 calc R . .
C13 C 0.7481(6) 0.0492(8) 0.5355(4) 0.071(4) Uani 1 1 d . . .
C14 C 0.7471(6) 0.0808(7) 0.5698(4) 0.070(4) Uani 1 1 d . . .
H14 H 0.7865 0.0994 0.5804 0.084 Uiso 1 1 calc R . .
C15 C 0.6901(6) 0.0855(7) 0.5885(3) 0.057(3) Uani 1 1 d . . .
C16 C 0.6877(6) 0.1205(8) 0.6258(3) 0.067(4) Uani 1 1 d . . .
H16A H 0.7245 0.1589 0.6287 0.081 Uiso 1 1 calc R . .
H16B H 0.6468 0.1518 0.6285 0.081 Uiso 1 1 calc R . .
C17 C 0.7558(6) 0.0169(7) 0.6587(3) 0.069(4) Uani 1 1 d . . .
H17A H 0.7657 0.0095 0.6842 0.083 Uiso 1 1 calc R . .
H17B H 0.7903 0.0516 0.6483 0.083 Uiso 1 1 calc R . .
C18 C 0.7571(6) -0.0653(8) 0.6405(3) 0.074(4) Uani 1 1 d . . .
H18A H 0.7533 -0.0576 0.6144 0.089 Uiso 1 1 calc R . .
H18B H 0.7994 -0.0921 0.6453 0.089 Uiso 1 1 calc R . .
C19 C 0.5367(5) 0.0758(7) 0.7005(3) 0.054(3) Uani 1 1 d . . .
C20 C 0.5253(5) 0.1595(8) 0.7062(3) 0.061(3) Uani 1 1 d . . .
H20 H 0.5202 0.1944 0.6862 0.073 Uiso 1 1 calc R . .
C21 C 0.5216(5) 0.1917(7) 0.7402(3) 0.059(3) Uani 1 1 d . . .
H21 H 0.5139 0.2481 0.7436 0.071 Uiso 1 1 calc R . .
C22 C 0.5291(5) 0.1414(8) 0.7687(3) 0.061(3) Uani 1 1 d . . .
C23 C 0.5376(5) 0.0596(8) 0.7650(3) 0.058(3) Uani 1 1 d . . .
H23 H 0.5419 0.0270 0.7857 0.069 Uiso 1 1 calc R . .
C24 C 0.5402(5) 0.0228(7) 0.7314(3) 0.057(3) Uani 1 1 d . . .
C25 C 0.5557(5) -0.0655(7) 0.7266(3) 0.058(3) Uani 1 1 d . . .
H25A H 0.5556 -0.0934 0.7499 0.069 Uiso 1 1 calc R . .
H25B H 0.5225 -0.0914 0.7113 0.069 Uiso 1 1 calc R . .
C26 C 0.6488(5) -0.1557(7) 0.7089(3) 0.059(3) Uani 1 1 d . . .
H26A H 0.6178 -0.1932 0.6972 0.071 Uiso 1 1 calc R . .
H26B H 0.6567 -0.1752 0.7334 0.071 Uiso 1 1 calc R . .
C27 C 0.7123(6) -0.1527(8) 0.6883(3) 0.069(4) Uani 1 1 d . . .
H27A H 0.7443 -0.1194 0.7015 0.083 Uiso 1 1 calc R . .
H27B H 0.7302 -0.2083 0.6861 0.083 Uiso 1 1 calc R . .
C28 C 0.5246(6) 0.2919(8) 0.6181(3) 0.064(3) Uani 1 1 d . . .
C29 C 0.5771(6) 0.3192(8) 0.5984(3) 0.068(3) Uani 1 1 d . . .
H29 H 0.6036 0.2805 0.5865 0.081 Uiso 1 1 calc R . .
C30 C 0.5927(6) 0.4007(8) 0.5954(3) 0.069(4) Uani 1 1 d . . .
H30 H 0.6308 0.4168 0.5828 0.083 Uiso 1 1 calc R . .
C31 C 0.5529(6) 0.4588(8) 0.6106(3) 0.066(3) Uani 1 1 d . . .
C32 C 0.4976(6) 0.4337(7) 0.6297(3) 0.064(3) Uani 1 1 d . . .
H32 H 0.4701 0.4736 0.6401 0.076 Uiso 1 1 calc R . .
C33 C 0.4821(5) 0.3525(7) 0.6338(3) 0.054(3) Uani 1 1 d . . .
C34 C 0.4216(6) 0.3211(7) 0.6510(3) 0.062(3) Uani 1 1 d . . .
H34A H 0.3984 0.3670 0.6624 0.074 Uiso 1 1 calc R . .
H34B H 0.4340 0.2825 0.6700 0.074 Uiso 1 1 calc R . .
C35 C 0.3337(6) 0.3362(8) 0.6054(3) 0.072(4) Uani 1 1 d . . .
H35A H 0.3222 0.3118 0.5822 0.087 Uiso 1 1 calc R . .
H35B H 0.3574 0.3875 0.6009 0.087 Uiso 1 1 calc R . .
C36 C 0.2731(6) 0.3532(8) 0.6262(4) 0.079(4) Uani 1 1 d . . .
H36A H 0.2430 0.3869 0.6118 0.095 Uiso 1 1 calc R . .
H36B H 0.2841 0.3835 0.6481 0.095 Uiso 1 1 calc R . .
C37 C 0.3637(7) 0.1564(8) 0.5553(4) 0.074(4) Uani 1 1 d . . .
C38 C 0.3847(6) 0.2072(7) 0.5268(3) 0.062(3) Uani 1 1 d . . .
H38 H 0.4276 0.2288 0.5265 0.075 Uiso 1 1 calc R . .
C39 C 0.3412(6) 0.2247(8) 0.4991(3) 0.070(4) Uani 1 1 d . . .
H39 H 0.3549 0.2596 0.4804 0.083 Uiso 1 1 calc R . .
C40 C 0.2790(6) 0.1928(7) 0.4982(3) 0.060(3) Uani 1 1 d . . .
C41 C 0.2581(6) 0.1441(7) 0.5262(3) 0.062(3) Uani 1 1 d . . .
H41 H 0.2146 0.1243 0.5262 0.074 Uiso 1 1 calc R . .
C42 C 0.2989(6) 0.1238(7) 0.5538(3) 0.056(3) Uani 1 1 d . . .
C43 C 0.2775(5) 0.0649(7) 0.5828(3) 0.059(3) Uani 1 1 d . . .
H43A H 0.3147 0.0292 0.5889 0.070 Uiso 1 1 calc R . .
H43B H 0.2423 0.0301 0.5733 0.070 Uiso 1 1 calc R . .
C44 C 0.1901(5) 0.1489(8) 0.6114(3) 0.068(4) Uani 1 1 d . . .
H44A H 0.1613 0.1383 0.6320 0.081 Uiso 1 1 calc R . .
H44B H 0.1686 0.1272 0.5899 0.081 Uiso 1 1 calc R . .
C45 C 0.1993(6) 0.2421(7) 0.6072(3) 0.067(4) Uani 1 1 d . . .
H45A H 0.2196 0.2538 0.5838 0.080 Uiso 1 1 calc R . .
H45B H 0.1563 0.2692 0.6078 0.080 Uiso 1 1 calc R . .
C46 C 0.3830(5) 0.0575(7) 0.6877(3) 0.054(3) Uani 1 1 d . . .
C47 C 0.3962(5) -0.0305(7) 0.6855(3) 0.061(3) Uani 1 1 d . . .
H47 H 0.4050 -0.0548 0.6631 0.073 Uiso 1 1 calc R . .
C48 C 0.3959(5) -0.0786(7) 0.7164(3) 0.060(3) Uani 1 1 d . . .
H48 H 0.4040 -0.1353 0.7150 0.072 Uiso 1 1 calc R . .
C49 C 0.3839(5) -0.0427(8) 0.7488(3) 0.063(3) Uani 1 1 d . . .
C50 C 0.3659(5) 0.0370(8) 0.7507(3) 0.062(3) Uani 1 1 d . . .
H50 H 0.3541 0.0589 0.7731 0.074 Uiso 1 1 calc R . .
C51 C 0.3643(5) 0.0870(8) 0.7211(3) 0.060(3) Uani 1 1 d . . .
C52 C 0.3413(5) 0.1737(7) 0.7225(3) 0.058(3) Uani 1 1 d . . .
H52A H 0.3247 0.1858 0.7466 0.070 Uiso 1 1 calc R . .
H52B H 0.3786 0.2103 0.7178 0.070 Uiso 1 1 calc R . .
C53 C 0.2563(6) 0.2688(7) 0.7009(3) 0.070(4) Uani 1 1 d . . .
H53A H 0.2887 0.3132 0.7006 0.084 Uiso 1 1 calc R . .
H53B H 0.2334 0.2700 0.7241 0.084 Uiso 1 1 calc R . .
C54 C 0.2076(6) 0.2808(7) 0.6710(4) 0.071(4) Uani 1 1 d . . .
H54A H 0.1729 0.2391 0.6726 0.085 Uiso 1 1 calc R . .
H54B H 0.1869 0.3349 0.6733 0.085 Uiso 1 1 calc R . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.183(7) . ?
Dy1 O4 2.189(8) . ?
Dy1 O5 2.196(8) . ?
Dy1 O2 2.228(8) . ?
Dy1 O3 2.377(7) . ?
Dy1 O6 2.389(7) . ?
Br1 C4 1.896(12) . ?
Br2 C13 1.906(13) . ?
Br3 C22 1.922(12) . ?
Br4 C31 1.896(13) . ?
Br5 C40 1.896(12) . ?
Br6 C49 1.904(13) . ?
Zn1 O3 2.069(7) . ?
Zn1 N2 2.080(9) . ?
Zn1 N3 2.090(9) . ?
Zn1 N4 2.109(8) . ?
Zn1 N1 2.292(9) . ?
Zn2 O6 2.046(7) . ?
Zn2 N6 2.073(10) . ?
Zn2 N8 2.090(9) . ?
Zn2 N7 2.122(9) . ?
Zn2 N5 2.256(9) . ?
O1 C1 1.336(12) . ?
O1W H1WB 0.9627 . ?
O1W H1WA 0.9611 . ?
O2 C10 1.325(12) . ?
O3 C19 1.374(12) . ?
O4 C28 1.319(13) . ?
O5 C37 1.314(14) . ?
O6 C46 1.357(12) . ?
O7 N9 1.245(12) . ?
O8 N9 1.255(12) . ?
O9 N9 1.278(12) . ?
N1 C27 1.449(13) . ?
N1 C9 1.478(13) . ?
N1 C18 1.497(14) . ?
N2 C7 1.488(13) . ?
N2 C8 1.504(13) . ?
N2 H2 0.9300 . ?
N3 C16 1.488(14) . ?
N3 C17 1.509(14) . ?
N3 H3 0.9300 . ?
N4 C26 1.477(12) . ?
N4 C25 1.496(13) . ?
N4 H4 0.9300 . ?
N5 C45 1.468(14) . ?
N5 C54 1.492(14) . ?
N5 C36 1.499(14) . ?
N6 C35 1.487(14) . ?
N6 C34 1.499(13) . ?
N6 H6 0.9300 . ?
N7 C44 1.491(13) . ?
N7 C43 1.528(13) . ?
N7 H7 0.9300 . ?
N8 C52 1.460(12) . ?
N8 C53 1.489(13) . ?
N8 H8 0.9300 . ?
C1 C2 1.396(14) . ?
C1 C6 1.433(15) . ?
C2 C3 1.392(15) . ?
C2 H2A 0.9500 . ?
C3 C4 1.371(15) . ?
C3 H3A 0.9500 . ?
C4 C5 1.391(15) . ?
C5 C6 1.385(15) . ?
C5 H5 0.9500 . ?
C6 C7 1.504(14) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.518(15) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.415(15) . ?
C10 C15 1.423(15) . ?
C11 C12 1.389(15) . ?
C11 H11 0.9500 . ?
C12 C13 1.382(16) . ?
C12 H12 0.9500 . ?
C13 C14 1.392(16) . ?
C14 C15 1.368(15) . ?
C14 H14 0.9500 . ?
C15 C16 1.516(15) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.516(15) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.415(15) . ?
C19 C24 1.455(15) . ?
C20 C21 1.387(14) . ?
C20 H20 0.9500 . ?
C21 C22 1.362(15) . ?
C21 H21 0.9500 . ?
C22 C23 1.364(15) . ?
C23 C24 1.402(14) . ?
C23 H23 0.9500 . ?
C24 C25 1.500(15) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.517(14) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.382(16) . ?
C28 C33 1.451(15) . ?
C29 C30 1.385(16) . ?
C29 H29 0.9500 . ?
C30 C31 1.383(15) . ?
C30 H30 0.9500 . ?
C31 C32 1.403(15) . ?
C32 C33 1.382(15) . ?
C32 H32 0.9500 . ?
C33 C34 1.493(14) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.496(15) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.427(16) . ?
C37 C42 1.433(15) . ?
C38 C39 1.401(15) . ?
C38 H38 0.9500 . ?
C39 C40 1.381(15) . ?
C39 H39 0.9500 . ?
C40 C41 1.390(15) . ?
C41 C42 1.375(14) . ?
C41 H41 0.9500 . ?
C42 C43 1.526(14) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.554(16) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C51 1.400(15) . ?
C46 C47 1.478(15) . ?
C47 C48 1.406(14) . ?
C47 H47 0.9500 . ?
C48 C49 1.375(15) . ?
C48 H48 0.9500 . ?
C49 C50 1.364(15) . ?
C50 C51 1.385(15) . ?
C50 H50 0.9500 . ?
C51 C52 1.504(15) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.518(15) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O4 173.1(3) . . ?
O1 Dy1 O5 91.3(3) . . ?
O4 Dy1 O5 84.3(3) . . ?
O1 Dy1 O2 87.1(3) . . ?
O4 Dy1 O2 90.2(3) . . ?
O5 Dy1 O2 117.8(3) . . ?
O1 Dy1 O3 92.2(3) . . ?
O4 Dy1 O3 93.7(3) . . ?
O5 Dy1 O3 161.2(3) . . ?
O2 Dy1 O3 80.8(3) . . ?
O1 Dy1 O6 91.0(2) . . ?
O4 Dy1 O6 93.4(2) . . ?
O5 Dy1 O6 78.5(3) . . ?
O2 Dy1 O6 163.6(3) . . ?
O3 Dy1 O6 83.0(2) . . ?
O3 Zn1 N2 101.1(3) . . ?
O3 Zn1 N3 100.9(4) . . ?
N2 Zn1 N3 129.7(4) . . ?
O3 Zn1 N4 93.0(3) . . ?
N2 Zn1 N4 118.9(3) . . ?
N3 Zn1 N4 104.3(4) . . ?
O3 Zn1 N1 171.5(3) . . ?
N2 Zn1 N1 80.1(3) . . ?
N3 Zn1 N1 84.4(4) . . ?
N4 Zn1 N1 79.1(3) . . ?
O6 Zn2 N6 101.6(3) . . ?
O6 Zn2 N8 90.5(3) . . ?
N6 Zn2 N8 115.4(4) . . ?
O6 Zn2 N7 100.9(3) . . ?
N6 Zn2 N7 131.7(4) . . ?
N8 Zn2 N7 106.6(4) . . ?
O6 Zn2 N5 172.8(3) . . ?
N6 Zn2 N5 80.6(4) . . ?
N8 Zn2 N5 82.4(4) . . ?
N7 Zn2 N5 82.3(4) . . ?
C1 O1 Dy1 157.8(7) . . ?
H1WB O1W H1WA 117.9 . . ?
C10 O2 Dy1 166.9(7) . . ?
C19 O3 Zn1 113.3(6) . . ?
C19 O3 Dy1 127.7(6) . . ?
Zn1 O3 Dy1 115.7(3) . . ?
C28 O4 Dy1 165.1(7) . . ?
C37 O5 Dy1 163.3(8) . . ?
C46 O6 Zn2 117.8(6) . . ?
C46 O6 Dy1 126.9(6) . . ?
Zn2 O6 Dy1 115.3(3) . . ?
C27 N1 C9 111.9(10) . . ?
C27 N1 C18 114.8(9) . . ?
C9 N1 C18 113.2(9) . . ?
C27 N1 Zn1 107.1(7) . . ?
C9 N1 Zn1 107.1(7) . . ?
C18 N1 Zn1 101.8(7) . . ?
C7 N2 C8 113.4(9) . . ?
C7 N2 Zn1 118.4(6) . . ?
C8 N2 Zn1 109.6(6) . . ?
C7 N2 H2 104.6 . . ?
C8 N2 H2 104.6 . . ?
Zn1 N2 H2 104.6 . . ?
C16 N3 C17 114.9(9) . . ?
C16 N3 Zn1 117.6(7) . . ?
C17 N3 Zn1 107.7(7) . . ?
C16 N3 H3 105.1 . . ?
C17 N3 H3 105.1 . . ?
Zn1 N3 H3 105.1 . . ?
C26 N4 C25 115.1(9) . . ?
C26 N4 Zn1 108.1(6) . . ?
C25 N4 Zn1 109.9(6) . . ?
C26 N4 H4 107.8 . . ?
C25 N4 H4 107.8 . . ?
Zn1 N4 H4 107.8 . . ?
C45 N5 C54 114.3(9) . . ?
C45 N5 C36 113.4(10) . . ?
C54 N5 C36 110.8(10) . . ?
C45 N5 Zn2 105.6(7) . . ?
C54 N5 Zn2 105.2(7) . . ?
C36 N5 Zn2 106.8(7) . . ?
C35 N6 C34 113.8(9) . . ?
C35 N6 Zn2 109.3(7) . . ?
C34 N6 Zn2 119.5(7) . . ?
C35 N6 H6 104.2 . . ?
C34 N6 H6 104.2 . . ?
Zn2 N6 H6 104.2 . . ?
C44 N7 C43 112.2(9) . . ?
C44 N7 Zn2 110.3(7) . . ?
C43 N7 Zn2 116.3(6) . . ?
C44 N7 H7 105.7 . . ?
C43 N7 H7 105.7 . . ?
Zn2 N7 H7 105.7 . . ?
C52 N8 C53 114.4(9) . . ?
C52 N8 Zn2 114.3(7) . . ?
C53 N8 Zn2 107.2(6) . . ?
C52 N8 H8 106.8 . . ?
C53 N8 H8 106.8 . . ?
Zn2 N8 H8 106.8 . . ?
O7 N9 O8 120.9(12) . . ?
O7 N9 O9 120.0(12) . . ?
O8 N9 O9 119.1(12) . . ?
O1 C1 C2 123.9(11) . . ?
O1 C1 C6 119.1(10) . . ?
C2 C1 C6 116.9(11) . . ?
C3 C2 C1 122.4(12) . . ?
C3 C2 H2A 118.8 . . ?
C1 C2 H2A 118.8 . . ?
C4 C3 C2 120.0(11) . . ?
C4 C3 H3A 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C3 C4 C5 119.3(12) . . ?
C3 C4 Br1 120.1(10) . . ?
C5 C4 Br1 120.7(10) . . ?
C6 C5 C4 121.9(12) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
C5 C6 C1 119.5(11) . . ?
C5 C6 C7 123.5(11) . . ?
C1 C6 C7 116.9(10) . . ?
N2 C7 C6 111.8(9) . . ?
N2 C7 H7A 109.3 . . ?
C6 C7 H7A 109.3 . . ?
N2 C7 H7B 109.3 . . ?
C6 C7 H7B 109.3 . . ?
H7A C7 H7B 107.9 . . ?
N2 C8 C9 108.7(9) . . ?
N2 C8 H8A 109.9 . . ?
C9 C8 H8A 109.9 . . ?
N2 C8 H8B 109.9 . . ?
C9 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
N1 C9 C8 110.7(10) . . ?
N1 C9 H9A 109.5 . . ?
C8 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
O2 C10 C11 119.9(11) . . ?
O2 C10 C15 122.3(11) . . ?
C11 C10 C15 117.7(11) . . ?
C12 C11 C10 121.3(11) . . ?
C12 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
C13 C12 C11 119.1(12) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C12 C13 C14 120.9(12) . . ?
C12 C13 Br2 118.4(11) . . ?
C14 C13 Br2 120.6(10) . . ?
C15 C14 C13 120.6(12) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C10 120.3(11) . . ?
C14 C15 C16 121.6(11) . . ?
C10 C15 C16 118.0(11) . . ?
N3 C16 C15 115.1(10) . . ?
N3 C16 H16A 108.5 . . ?
C15 C16 H16A 108.5 . . ?
N3 C16 H16B 108.5 . . ?
C15 C16 H16B 108.5 . . ?
H16A C16 H16B 107.5 . . ?
N3 C17 C18 113.0(10) . . ?
N3 C17 H17A 109.0 . . ?
C18 C17 H17A 109.0 . . ?
N3 C17 H17B 109.0 . . ?
C18 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
N1 C18 C17 111.6(10) . . ?
N1 C18 H18A 109.3 . . ?
C17 C18 H18A 109.3 . . ?
N1 C18 H18B 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
O3 C19 C20 121.8(11) . . ?
O3 C19 C24 119.5(10) . . ?
C20 C19 C24 118.2(11) . . ?
C21 C20 C19 121.3(11) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C22 C21 C20 119.1(11) . . ?
C22 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
C21 C22 C23 122.4(12) . . ?
C21 C22 Br3 118.7(10) . . ?
C23 C22 Br3 118.8(10) . . ?
C22 C23 C24 121.5(12) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C23 C24 C19 117.2(11) . . ?
C23 C24 C25 122.5(11) . . ?
C19 C24 C25 119.7(10) . . ?
N4 C25 C24 108.7(10) . . ?
N4 C25 H25A 110.0 . . ?
C24 C25 H25A 110.0 . . ?
N4 C25 H25B 110.0 . . ?
C24 C25 H25B 110.0 . . ?
H25A C25 H25B 108.3 . . ?
N4 C26 C27 107.8(9) . . ?
N4 C26 H26A 110.1 . . ?
C27 C26 H26A 110.1 . . ?
N4 C26 H26B 110.1 . . ?
C27 C26 H26B 110.1 . . ?
H26A C26 H26B 108.5 . . ?
N1 C27 C26 111.3(9) . . ?
N1 C27 H27A 109.4 . . ?
C26 C27 H27A 109.4 . . ?
N1 C27 H27B 109.4 . . ?
C26 C27 H27B 109.4 . . ?
H27A C27 H27B 108.0 . . ?
O4 C28 C29 124.4(12) . . ?
O4 C28 C33 118.0(11) . . ?
C29 C28 C33 117.5(12) . . ?
C28 C29 C30 122.7(12) . . ?
C28 C29 H29 118.7 . . ?
C30 C29 H29 118.7 . . ?
C31 C30 C29 120.0(12) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C32 119.0(12) . . ?
C30 C31 Br4 121.1(9) . . ?
C32 C31 Br4 119.8(10) . . ?
C33 C32 C31 121.9(12) . . ?
C33 C32 H32 119.1 . . ?
C31 C32 H32 119.1 . . ?
C32 C33 C28 118.8(11) . . ?
C32 C33 C34 125.1(11) . . ?
C28 C33 C34 116.0(11) . . ?
C33 C34 N6 113.8(10) . . ?
C33 C34 H34A 108.8 . . ?
N6 C34 H34A 108.8 . . ?
C33 C34 H34B 108.8 . . ?
N6 C34 H34B 108.8 . . ?
H34A C34 H34B 107.7 . . ?
N6 C35 C36 109.5(10) . . ?
N6 C35 H35A 109.8 . . ?
C36 C35 H35A 109.8 . . ?
N6 C35 H35B 109.8 . . ?
C36 C35 H35B 109.8 . . ?
H35A C35 H35B 108.2 . . ?
C35 C36 N5 109.4(10) . . ?
C35 C36 H36A 109.8 . . ?
N5 C36 H36A 109.8 . . ?
C35 C36 H36B 109.8 . . ?
N5 C36 H36B 109.8 . . ?
H36A C36 H36B 108.2 . . ?
O5 C37 C38 120.7(12) . . ?
O5 C37 C42 121.3(13) . . ?
C38 C37 C42 118.0(12) . . ?
C39 C38 C37 119.1(11) . . ?
C39 C38 H38 120.5 . . ?
C37 C38 H38 120.5 . . ?
C40 C39 C38 121.9(11) . . ?
C40 C39 H39 119.0 . . ?
C38 C39 H39 119.0 . . ?
C39 C40 C41 119.1(11) . . ?
C39 C40 Br5 121.2(9) . . ?
C41 C40 Br5 119.7(9) . . ?
C42 C41 C40 121.5(11) . . ?
C42 C41 H41 119.3 . . ?
C40 C41 H41 119.3 . . ?
C41 C42 C37 120.3(11) . . ?
C41 C42 C43 121.2(11) . . ?
C37 C42 C43 118.5(11) . . ?
C42 C43 N7 114.4(9) . . ?
C42 C43 H43A 108.7 . . ?
N7 C43 H43A 108.7 . . ?
C42 C43 H43B 108.7 . . ?
N7 C43 H43B 108.7 . . ?
H43A C43 H43B 107.6 . . ?
N7 C44 C45 112.3(10) . . ?
N7 C44 H44A 109.1 . . ?
C45 C44 H44A 109.1 . . ?
N7 C44 H44B 109.1 . . ?
C45 C44 H44B 109.1 . . ?
H44A C44 H44B 107.9 . . ?
N5 C45 C44 110.8(10) . . ?
N5 C45 H45A 109.5 . . ?
C44 C45 H45A 109.5 . . ?
N5 C45 H45B 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 108.1 . . ?
O6 C46 C51 127.7(11) . . ?
O6 C46 C47 116.2(10) . . ?
C51 C46 C47 116.1(11) . . ?
C48 C47 C46 120.4(11) . . ?
C48 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C49 C48 C47 119.3(12) . . ?
C49 C48 H48 120.3 . . ?
C47 C48 H48 120.3 . . ?
C50 C49 C48 120.5(12) . . ?
C50 C49 Br6 119.7(10) . . ?
C48 C49 Br6 119.7(10) . . ?
C49 C50 C51 122.5(12) . . ?
C49 C50 H50 118.7 . . ?
C51 C50 H50 118.7 . . ?
C50 C51 C46 120.4(12) . . ?
C50 C51 C52 123.1(11) . . ?
C46 C51 C52 116.5(11) . . ?
N8 C52 C51 111.7(9) . . ?
N8 C52 H52A 109.3 . . ?
C51 C52 H52A 109.3 . . ?
N8 C52 H52B 109.3 . . ?
C51 C52 H52B 109.3 . . ?
H52A C52 H52B 107.9 . . ?
N8 C53 C54 109.7(10) . . ?
N8 C53 H53A 109.7 . . ?
C54 C53 H53A 109.7 . . ?
N8 C53 H53B 109.7 . . ?
C54 C53 H53B 109.7 . . ?
H53A C53 H53B 108.2 . . ?
N5 C54 C53 110.4(9) . . ?
N5 C54 H54A 109.6 . . ?
C53 C54 H54A 109.6 . . ?
N5 C54 H54B 109.6 . . ?
C53 C54 H54B 109.6 . . ?
H54A C54 H54B 108.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O4 Dy1 O1 C1 34(3) . . . . ?
O5 Dy1 O1 C1 84.7(19) . . . . ?
O2 Dy1 O1 C1 -33.1(19) . . . . ?
O3 Dy1 O1 C1 -113.7(19) . . . . ?
O6 Dy1 O1 C1 163.2(19) . . . . ?
O1 Dy1 O2 C10 141(3) . . . . ?
O4 Dy1 O2 C10 -32(3) . . . . ?
O5 Dy1 O2 C10 51(4) . . . . ?
O3 Dy1 O2 C10 -126(3) . . . . ?
O6 Dy1 O2 C10 -135(3) . . . . ?
N2 Zn1 O3 C19 156.0(7) . . . . ?
N3 Zn1 O3 C19 -69.5(8) . . . . ?
N4 Zn1 O3 C19 35.7(7) . . . . ?
N1 Zn1 O3 C19 58(2) . . . . ?
N2 Zn1 O3 Dy1 -42.8(4) . . . . ?
N3 Zn1 O3 Dy1 91.6(4) . . . . ?
N4 Zn1 O3 Dy1 -163.1(4) . . . . ?
N1 Zn1 O3 Dy1 -141(2) . . . . ?
O1 Dy1 O3 C19 -135.5(8) . . . . ?
O4 Dy1 O3 C19 48.3(8) . . . . ?
O5 Dy1 O3 C19 -34.9(14) . . . . ?
O2 Dy1 O3 C19 137.8(8) . . . . ?
O6 Dy1 O3 C19 -44.8(8) . . . . ?
O1 Dy1 O3 Zn1 66.6(4) . . . . ?
O4 Dy1 O3 Zn1 -109.7(4) . . . . ?
O5 Dy1 O3 Zn1 167.1(7) . . . . ?
O2 Dy1 O3 Zn1 -20.1(3) . . . . ?
O6 Dy1 O3 Zn1 157.3(4) . . . . ?
O1 Dy1 O4 C28 11(4) . . . . ?
O5 Dy1 O4 C28 -40(3) . . . . ?
O2 Dy1 O4 C28 77(3) . . . . ?
O3 Dy1 O4 C28 158(3) . . . . ?
O6 Dy1 O4 C28 -119(3) . . . . ?
O1 Dy1 O5 C37 -48(3) . . . . ?
O4 Dy1 O5 C37 126(3) . . . . ?
O2 Dy1 O5 C37 39(3) . . . . ?
O3 Dy1 O5 C37 -149(3) . . . . ?
O6 Dy1 O5 C37 -139(3) . . . . ?
N6 Zn2 O6 C46 138.5(8) . . . . ?
N8 Zn2 O6 C46 22.4(8) . . . . ?
N7 Zn2 O6 C46 -84.6(8) . . . . ?
N5 Zn2 O6 C46 31(3) . . . . ?
N6 Zn2 O6 Dy1 -43.3(4) . . . . ?
N8 Zn2 O6 Dy1 -159.4(4) . . . . ?
N7 Zn2 O6 Dy1 93.6(4) . . . . ?
N5 Zn2 O6 Dy1 -151(2) . . . . ?
O1 Dy1 O6 C46 65.7(8) . . . . ?
O4 Dy1 O6 C46 -119.7(8) . . . . ?
O5 Dy1 O6 C46 156.8(9) . . . . ?
O2 Dy1 O6 C46 -17.2(14) . . . . ?
O3 Dy1 O6 C46 -26.4(8) . . . . ?
O1 Dy1 O6 Zn2 -112.4(3) . . . . ?
O4 Dy1 O6 Zn2 62.3(4) . . . . ?
O5 Dy1 O6 Zn2 -21.2(3) . . . . ?
O2 Dy1 O6 Zn2 164.7(8) . . . . ?
O3 Dy1 O6 Zn2 155.6(4) . . . . ?
O3 Zn1 N1 C27 -24(3) . . . . ?
N2 Zn1 N1 C27 -123.7(8) . . . . ?
N3 Zn1 N1 C27 104.3(8) . . . . ?
N4 Zn1 N1 C27 -1.5(7) . . . . ?
O3 Zn1 N1 C9 96(2) . . . . ?
N2 Zn1 N1 C9 -3.6(7) . . . . ?
N3 Zn1 N1 C9 -135.6(8) . . . . ?
N4 Zn1 N1 C9 118.6(8) . . . . ?
O3 Zn1 N1 C18 -145(2) . . . . ?
N2 Zn1 N1 C18 115.5(7) . . . . ?
N3 Zn1 N1 C18 -16.5(7) . . . . ?
N4 Zn1 N1 C18 -122.3(7) . . . . ?
O3 Zn1 N2 C7 -63.3(8) . . . . ?
N3 Zn1 N2 C7 -177.7(7) . . . . ?
N4 Zn1 N2 C7 36.5(9) . . . . ?
N1 Zn1 N2 C7 108.2(8) . . . . ?
O3 Zn1 N2 C8 164.4(7) . . . . ?
N3 Zn1 N2 C8 50.0(9) . . . . ?
N4 Zn1 N2 C8 -95.8(7) . . . . ?
N1 Zn1 N2 C8 -24.1(7) . . . . ?
O3 Zn1 N3 C16 -64.6(9) . . . . ?
N2 Zn1 N3 C16 49.9(10) . . . . ?
N4 Zn1 N3 C16 -160.6(8) . . . . ?
N1 Zn1 N3 C16 122.1(9) . . . . ?
O3 Zn1 N3 C17 163.7(7) . . . . ?
N2 Zn1 N3 C17 -81.8(8) . . . . ?
N4 Zn1 N3 C17 67.7(7) . . . . ?
N1 Zn1 N3 C17 -9.6(7) . . . . ?
O3 Zn1 N4 C26 149.3(7) . . . . ?
N2 Zn1 N4 C26 44.8(8) . . . . ?
N3 Zn1 N4 C26 -108.6(7) . . . . ?
N1 Zn1 N4 C26 -27.4(7) . . . . ?
O3 Zn1 N4 C25 23.0(7) . . . . ?
N2 Zn1 N4 C25 -81.5(8) . . . . ?
N3 Zn1 N4 C25 125.0(7) . . . . ?
N1 Zn1 N4 C25 -153.7(7) . . . . ?
O6 Zn2 N5 C45 -136(2) . . . . ?
N6 Zn2 N5 C45 115.4(8) . . . . ?
N8 Zn2 N5 C45 -127.2(7) . . . . ?
N7 Zn2 N5 C45 -19.2(7) . . . . ?
O6 Zn2 N5 C54 -15(3) . . . . ?
N6 Zn2 N5 C54 -123.4(7) . . . . ?
N8 Zn2 N5 C54 -6.0(7) . . . . ?
N7 Zn2 N5 C54 102.0(7) . . . . ?
O6 Zn2 N5 C36 103(3) . . . . ?
N6 Zn2 N5 C36 -5.6(8) . . . . ?
N8 Zn2 N5 C36 111.8(8) . . . . ?
N7 Zn2 N5 C36 -140.2(8) . . . . ?
O6 Zn2 N6 C35 164.4(7) . . . . ?
N8 Zn2 N6 C35 -99.4(8) . . . . ?
N7 Zn2 N6 C35 48.3(9) . . . . ?
N5 Zn2 N6 C35 -22.5(8) . . . . ?
O6 Zn2 N6 C34 -62.1(8) . . . . ?
N8 Zn2 N6 C34 34.1(9) . . . . ?
N7 Zn2 N6 C34 -178.2(7) . . . . ?
N5 Zn2 N6 C34 111.0(8) . . . . ?
O6 Zn2 N7 C44 167.3(7) . . . . ?
N6 Zn2 N7 C44 -76.2(8) . . . . ?
N8 Zn2 N7 C44 73.5(7) . . . . ?
N5 Zn2 N7 C44 -6.2(7) . . . . ?
O6 Zn2 N7 C43 -63.4(7) . . . . ?
N6 Zn2 N7 C43 53.0(9) . . . . ?
N8 Zn2 N7 C43 -157.3(7) . . . . ?
N5 Zn2 N7 C43 123.1(8) . . . . ?
O6 Zn2 N8 C52 28.7(7) . . . . ?
N6 Zn2 N8 C52 -74.4(8) . . . . ?
N7 Zn2 N8 C52 130.2(7) . . . . ?
N5 Zn2 N8 C52 -150.2(8) . . . . ?
O6 Zn2 N8 C53 156.5(7) . . . . ?
N6 Zn2 N8 C53 53.4(8) . . . . ?
N7 Zn2 N8 C53 -101.9(7) . . . . ?
N5 Zn2 N8 C53 -22.4(7) . . . . ?
Dy1 O1 C1 C2 -80(2) . . . . ?
Dy1 O1 C1 C6 100.8(19) . . . . ?
O1 C1 C2 C3 179.7(11) . . . . ?
C6 C1 C2 C3 -1.1(17) . . . . ?
C1 C2 C3 C4 0.5(19) . . . . ?
C2 C3 C4 C5 0.1(19) . . . . ?
C2 C3 C4 Br1 -179.3(9) . . . . ?
C3 C4 C5 C6 0(2) . . . . ?
Br1 C4 C5 C6 179.3(9) . . . . ?
C4 C5 C6 C1 -0.5(18) . . . . ?
C4 C5 C6 C7 -176.1(12) . . . . ?
O1 C1 C6 C5 -179.6(10) . . . . ?
C2 C1 C6 C5 1.1(16) . . . . ?
O1 C1 C6 C7 -3.7(15) . . . . ?
C2 C1 C6 C7 177.0(10) . . . . ?
C8 N2 C7 C6 -83.4(11) . . . . ?
Zn1 N2 C7 C6 145.9(8) . . . . ?
C5 C6 C7 N2 107.7(13) . . . . ?
C1 C6 C7 N2 -68.0(13) . . . . ?
C7 N2 C8 C9 -86.2(10) . . . . ?
Zn1 N2 C8 C9 48.7(10) . . . . ?
C27 N1 C9 C8 147.7(10) . . . . ?
C18 N1 C9 C8 -80.7(12) . . . . ?
Zn1 N1 C9 C8 30.7(11) . . . . ?
N2 C8 C9 N1 -53.1(12) . . . . ?
Dy1 O2 C10 C11 -96(3) . . . . ?
Dy1 O2 C10 C15 87(4) . . . . ?
O2 C10 C11 C12 -177.0(10) . . . . ?
C15 C10 C11 C12 -0.7(17) . . . . ?
C10 C11 C12 C13 1.2(18) . . . . ?
C11 C12 C13 C14 -1.7(19) . . . . ?
C11 C12 C13 Br2 -178.5(9) . . . . ?
C12 C13 C14 C15 2(2) . . . . ?
Br2 C13 C14 C15 178.4(9) . . . . ?
C13 C14 C15 C10 -1.2(19) . . . . ?
C13 C14 C15 C16 -179.4(11) . . . . ?
O2 C10 C15 C14 176.8(11) . . . . ?
C11 C10 C15 C14 0.6(16) . . . . ?
O2 C10 C15 C16 -4.9(16) . . . . ?
C11 C10 C15 C16 178.9(10) . . . . ?
C17 N3 C16 C15 68.6(13) . . . . ?
Zn1 N3 C16 C15 -59.8(12) . . . . ?
C14 C15 C16 N3 -96.0(14) . . . . ?
C10 C15 C16 N3 85.8(13) . . . . ?
C16 N3 C17 C18 -97.3(12) . . . . ?
Zn1 N3 C17 C18 35.9(11) . . . . ?
C27 N1 C18 C17 -75.0(13) . . . . ?
C9 N1 C18 C17 154.8(10) . . . . ?
Zn1 N1 C18 C17 40.2(11) . . . . ?
N3 C17 C18 N1 -54.6(13) . . . . ?
Zn1 O3 C19 C20 130.2(9) . . . . ?
Dy1 O3 C19 C20 -28.2(14) . . . . ?
Zn1 O3 C19 C24 -57.4(11) . . . . ?
Dy1 O3 C19 C24 144.2(8) . . . . ?
O3 C19 C20 C21 176.4(9) . . . . ?
C24 C19 C20 C21 3.9(16) . . . . ?
C19 C20 C21 C22 0.1(17) . . . . ?
C20 C21 C22 C23 -2.8(18) . . . . ?
C20 C21 C22 Br3 179.6(8) . . . . ?
C21 C22 C23 C24 1.1(18) . . . . ?
Br3 C22 C23 C24 178.8(8) . . . . ?
C22 C23 C24 C19 3.0(16) . . . . ?
C22 C23 C24 C25 174.0(10) . . . . ?
O3 C19 C24 C23 -178.0(9) . . . . ?
C20 C19 C24 C23 -5.3(15) . . . . ?
O3 C19 C24 C25 10.6(15) . . . . ?
C20 C19 C24 C25 -176.7(10) . . . . ?
C26 N4 C25 C24 169.8(9) . . . . ?
Zn1 N4 C25 C24 -67.9(9) . . . . ?
C23 C24 C25 N4 -110.4(11) . . . . ?
C19 C24 C25 N4 60.5(12) . . . . ?
C25 N4 C26 C27 175.3(9) . . . . ?
Zn1 N4 C26 C27 52.1(10) . . . . ?
C9 N1 C27 C26 -87.1(12) . . . . ?
C18 N1 C27 C26 142.1(10) . . . . ?
Zn1 N1 C27 C26 29.9(11) . . . . ?
N4 C26 C27 N1 -55.6(12) . . . . ?
Dy1 O4 C28 C29 -69(3) . . . . ?
Dy1 O4 C28 C33 110(3) . . . . ?
O4 C28 C29 C30 -177.1(11) . . . . ?
C33 C28 C29 C30 4.5(18) . . . . ?
C28 C29 C30 C31 -4(2) . . . . ?
C29 C30 C31 C32 1.3(18) . . . . ?
C29 C30 C31 Br4 178.0(9) . . . . ?
C30 C31 C32 C33 0.4(18) . . . . ?
Br4 C31 C32 C33 -176.5(8) . . . . ?
C31 C32 C33 C28 0.4(17) . . . . ?
C31 C32 C33 C34 -174.6(11) . . . . ?
O4 C28 C33 C32 178.8(10) . . . . ?
C29 C28 C33 C32 -2.8(16) . . . . ?
O4 C28 C33 C34 -5.7(15) . . . . ?
C29 C28 C33 C34 172.7(11) . . . . ?
C32 C33 C34 N6 112.2(12) . . . . ?
C28 C33 C34 N6 -62.9(13) . . . . ?
C35 N6 C34 C33 -81.9(12) . . . . ?
Zn2 N6 C34 C33 146.5(8) . . . . ?
C34 N6 C35 C36 -87.9(12) . . . . ?
Zn2 N6 C35 C36 48.5(12) . . . . ?
N6 C35 C36 N5 -54.4(14) . . . . ?
C45 N5 C36 C35 -83.3(12) . . . . ?
C54 N5 C36 C35 146.7(10) . . . . ?
Zn2 N5 C36 C35 32.6(12) . . . . ?
Dy1 O5 C37 C38 -80(3) . . . . ?
Dy1 O5 C37 C42 100(3) . . . . ?
O5 C37 C38 C39 -178.2(11) . . . . ?
C42 C37 C38 C39 1.6(18) . . . . ?
C37 C38 C39 C40 -1.5(18) . . . . ?
C38 C39 C40 C41 2.2(18) . . . . ?
C38 C39 C40 Br5 -178.9(9) . . . . ?
C39 C40 C41 C42 -3.2(18) . . . . ?
Br5 C40 C41 C42 177.9(9) . . . . ?
C40 C41 C42 C37 3.4(18) . . . . ?
C40 C41 C42 C43 -175.0(10) . . . . ?
O5 C37 C42 C41 177.2(11) . . . . ?
C38 C37 C42 C41 -2.5(17) . . . . ?
O5 C37 C42 C43 -4.3(17) . . . . ?
C38 C37 C42 C43 175.9(11) . . . . ?
C41 C42 C43 N7 -98.3(13) . . . . ?
C37 C42 C43 N7 83.3(13) . . . . ?
C44 N7 C43 C42 68.6(12) . . . . ?
Zn2 N7 C43 C42 -59.7(11) . . . . ?
C43 N7 C44 C45 -101.2(11) . . . . ?
Zn2 N7 C44 C45 30.3(11) . . . . ?
C54 N5 C45 C44 -74.7(12) . . . . ?
C36 N5 C45 C44 157.0(9) . . . . ?
Zn2 N5 C45 C44 40.4(10) . . . . ?
N7 C44 C45 N5 -49.4(13) . . . . ?
Zn2 O6 C46 C51 -46.5(14) . . . . ?
Dy1 O6 C46 C51 135.5(10) . . . . ?
Zn2 O6 C46 C47 134.6(8) . . . . ?
Dy1 O6 C46 C47 -43.4(12) . . . . ?
O6 C46 C47 C48 173.0(9) . . . . ?
C51 C46 C47 C48 -6.0(16) . . . . ?
C46 C47 C48 C49 -0.7(16) . . . . ?
C47 C48 C49 C50 6.6(17) . . . . ?
C47 C48 C49 Br6 -171.4(8) . . . . ?
C48 C49 C50 C51 -5.7(18) . . . . ?
Br6 C49 C50 C51 172.4(9) . . . . ?
C49 C50 C51 C46 -1.6(18) . . . . ?
C49 C50 C51 C52 176.8(10) . . . . ?
O6 C46 C51 C50 -171.8(10) . . . . ?
C47 C46 C51 C50 7.1(16) . . . . ?
O6 C46 C51 C52 9.7(17) . . . . ?
C47 C46 C51 C52 -171.4(9) . . . . ?
C53 N8 C52 C51 169.0(9) . . . . ?
Zn2 N8 C52 C51 -67.0(10) . . . . ?
C50 C51 C52 N8 -126.1(11) . . . . ?
C46 C51 C52 N8 52.4(14) . . . . ?
C52 N8 C53 C54 176.0(10) . . . . ?
Zn2 N8 C53 C54 48.2(11) . . . . ?
C45 N5 C54 C53 148.8(10) . . . . ?
C36 N5 C54 C53 -81.7(12) . . . . ?
Zn2 N5 C54 C53 33.4(10) . . . . ?
N8 C53 C54 N5 -56.3(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         0.934
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.127
_database_code_depnum_ccdc_archive 'CCDC 924442'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1_bath_in_MeOH

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H78 Br6 Dy N9 O14 Zn2'
_chemical_formula_weight         1897.99

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   21.8930(15)
_cell_length_b                   15.9613(15)
_cell_length_c                   39.306(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     13734.9(19)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    16801
_cell_measurement_theta_min      6.07
_cell_measurement_theta_max      55.16

_exptl_crystal_description       PLATELET
_exptl_crystal_colour            COLORLESS
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7496
_exptl_absorpt_coefficient_mu    5.328
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5021
_exptl_absorpt_correction_T_max  0.7765
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDE IP'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            33524
_diffrn_reflns_av_R_equivalents  0.1164
_diffrn_reflns_av_sigmaI/netI    0.1641
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         25.00
_reflns_number_total             11600
_reflns_number_gt                5235
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1267P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11600
_refine_ls_number_parameters     749
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1830
_refine_ls_R_factor_gt           0.0924
_refine_ls_wR_factor_ref         0.2621
_refine_ls_wR_factor_gt          0.2242
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.50864(3) 0.64336(5) 0.120362(16) 0.0464(3) Uani 1 1 d . . .
Zn1 Zn 0.64861(9) 0.55155(12) 0.14734(4) 0.0536(5) Uani 1 1 d . . .
Zn2 Zn 0.37585(8) 0.74767(12) 0.15342(4) 0.0494(5) Uani 1 1 d . . .
Br1 Br 0.40092(9) 0.15406(12) 0.09906(5) 0.0693(5) Uani 1 1 d . . .
Br2 Br 0.74951(9) 0.60756(14) -0.02699(4) 0.0779(6) Uani 1 1 d . . .
Br3 Br 0.60681(11) 0.82031(18) 0.29602(5) 0.1044(9) Uani 1 1 d . . .
Br4 Br 0.59057(9) 1.12639(12) 0.06277(4) 0.0680(5) Uani 1 1 d . . .
Br5 Br 0.43565(9) 0.55270(14) 0.31368(4) 0.0812(7) Uani 1 1 d . . .
Br6 Br 0.21253(10) 0.62894(15) 0.00322(5) 0.0906(7) Uani 1 1 d . . .
N1 N 0.7223(6) 0.4619(9) 0.1352(3) 0.062(4) Uani 1 1 d . . .
N2 N 0.5986(6) 0.4257(10) 0.1385(3) 0.061(4) Uani 1 1 d . . .
H2N H 0.5802 0.4400 0.1189 0.074 Uiso 1 1 d R . .
N3 N 0.6769(6) 0.5279(9) 0.1981(3) 0.061(4) Uani 1 1 d . . .
H3N H 0.7069 0.5637 0.2036 0.073 Uiso 1 1 d R . .
N4 N 0.7150(6) 0.6423(8) 0.1319(3) 0.062(4) Uani 1 1 d . . .
H4N H 0.7175 0.6743 0.1507 0.074 Uiso 1 1 d R . .
N5 N 0.2944(6) 0.8255(9) 0.1410(3) 0.051(3) Uani 1 1 d . . .
N6 N 0.4198(6) 0.8598(7) 0.1272(3) 0.045(3) Uani 1 1 d . . .
H6N H 0.4334 0.8380 0.1076 0.054 Uiso 1 1 d R . .
N7 N 0.3070(6) 0.6531(9) 0.1550(3) 0.054(4) Uani 1 1 d . . .
H7N H 0.3115 0.6280 0.1754 0.065 Uiso 1 1 d R . .
N8 N 0.3607(6) 0.8022(9) 0.2023(3) 0.058(4) Uani 1 1 d . . .
H8N H 0.3322 0.7704 0.2124 0.069 Uiso 1 1 d R . .
O1 O 0.4752(4) 0.5178(7) 0.1232(2) 0.052(3) Uani 1 1 d . . .
O2 O 0.6008(5) 0.5749(7) 0.1014(2) 0.060(3) Uani 1 1 d . . .
O3 O 0.5820(5) 0.6280(7) 0.1641(2) 0.060(3) Uani 1 1 d . . .
O4 O 0.5412(4) 0.7693(7) 0.1072(2) 0.055(3) Uani 1 1 d . . .
O5 O 0.4552(5) 0.6888(6) 0.1702(2) 0.052(3) Uani 1 1 d . . .
O6 O 0.4086(5) 0.6942(6) 0.1077(2) 0.049(3) Uani 1 1 d . . .
O7 O 0.5009(4) 0.6315(7) 0.0585(2) 0.050(3) Uani 1 1 d . . .
H7O H 0.5041 0.6758 0.0465 0.060 Uiso 1 1 d R . .
C1 C 0.4590(7) 0.4357(10) 0.1177(3) 0.048(4) Uani 1 1 d . . .
C2 C 0.4095(7) 0.4139(11) 0.0957(3) 0.052(4) Uani 1 1 d . . .
H2 H 0.3873 0.4574 0.0847 0.063 Uiso 1 1 calc R . .
C3 C 0.3933(7) 0.3341(10) 0.0900(4) 0.051(4) Uani 1 1 d . . .
H3 H 0.3598 0.3223 0.0753 0.061 Uiso 1 1 calc R . .
C4 C 0.4256(7) 0.2667(11) 0.1055(4) 0.054(4) Uani 1 1 d . . .
C5 C 0.4741(8) 0.2886(11) 0.1266(4) 0.058(5) Uani 1 1 d . . .
H5 H 0.4972 0.2452 0.1370 0.069 Uiso 1 1 calc R . .
C6 C 0.4896(7) 0.3678(10) 0.1327(4) 0.051(4) Uani 1 1 d . . .
C7 C 0.5441(9) 0.3894(11) 0.1550(4) 0.072(5) Uani 1 1 d . . .
H7A H 0.5300 0.4294 0.1726 0.087 Uiso 1 1 calc R . .
H7B H 0.5569 0.3377 0.1669 0.087 Uiso 1 1 calc R . .
C8 C 0.6364(8) 0.5787(10) 0.0739(4) 0.054(4) Uani 1 1 d . . .
C9 C 0.6234(8) 0.5271(10) 0.0468(4) 0.062(5) Uani 1 1 d . . .
H9 H 0.5911 0.4875 0.0483 0.075 Uiso 1 1 calc R . .
C10 C 0.6598(8) 0.5339(11) 0.0155(4) 0.067(5) Uani 1 1 d . . .
H10 H 0.6526 0.4981 -0.0034 0.080 Uiso 1 1 calc R . .
C11 C 0.7058(7) 0.5957(12) 0.0147(3) 0.057(5) Uani 1 1 d . . .
C12 C 0.7165(7) 0.6458(11) 0.0410(4) 0.058(5) Uani 1 1 d . . .
H12 H 0.7473 0.6875 0.0393 0.069 Uiso 1 1 calc R . .
C13 C 0.6832(6) 0.6384(9) 0.0714(4) 0.044(4) Uani 1 1 d . . .
C14 C 0.6964(7) 0.6942(11) 0.1016(3) 0.055(4) Uani 1 1 d . . .
H14A H 0.7297 0.7337 0.0958 0.065 Uiso 1 1 calc R . .
H14B H 0.6596 0.7273 0.1073 0.065 Uiso 1 1 calc R . .
C15 C 0.5916(8) 0.6763(12) 0.1934(3) 0.057(5) Uani 1 1 d . . .
C16 C 0.5862(8) 0.7608(13) 0.1938(4) 0.067(5) Uani 1 1 d . . .
H16 H 0.5767 0.7898 0.1734 0.080 Uiso 1 1 calc R . .
C17 C 0.5947(6) 0.8066(11) 0.2247(4) 0.052(4) Uani 1 1 d . . .
H17 H 0.5944 0.8661 0.2246 0.062 Uiso 1 1 calc R . .
C18 C 0.6031(7) 0.7638(13) 0.2540(4) 0.061(5) Uani 1 1 d . . .
C19 C 0.6168(8) 0.6777(14) 0.2539(4) 0.076(6) Uani 1 1 d . . .
H19 H 0.6309 0.6506 0.2739 0.091 Uiso 1 1 calc R . .
C20 C 0.6091(7) 0.6323(11) 0.2232(4) 0.052(4) Uani 1 1 d . . .
C21 C 0.6257(8) 0.5429(12) 0.2226(3) 0.064(5) Uani 1 1 d . . .
H21A H 0.5897 0.5093 0.2159 0.077 Uiso 1 1 calc R . .
H21B H 0.6382 0.5250 0.2457 0.077 Uiso 1 1 calc R . .
C22 C 0.6440(7) 0.3546(11) 0.1299(5) 0.064(5) Uani 1 1 d . . .
H22A H 0.6564 0.3242 0.1507 0.076 Uiso 1 1 calc R . .
H22B H 0.6256 0.3143 0.1137 0.076 Uiso 1 1 calc R . .
C23 C 0.6975(8) 0.3981(12) 0.1142(5) 0.075(6) Uani 1 1 d . . .
H23A H 0.7297 0.3562 0.1093 0.090 Uiso 1 1 calc R . .
H23B H 0.6847 0.4231 0.0923 0.090 Uiso 1 1 calc R . .
C24 C 0.7760(7) 0.5992(11) 0.1298(4) 0.055(4) Uani 1 1 d . . .
H24A H 0.8035 0.6324 0.1150 0.066 Uiso 1 1 calc R . .
H24B H 0.7945 0.5969 0.1527 0.066 Uiso 1 1 calc R . .
C25 C 0.7711(8) 0.5156(11) 0.1164(4) 0.064(5) Uani 1 1 d . . .
H25A H 0.8113 0.4876 0.1184 0.077 Uiso 1 1 calc R . .
H25B H 0.7605 0.5187 0.0920 0.077 Uiso 1 1 calc R . .
C26 C 0.7024(8) 0.4394(10) 0.1968(4) 0.061(5) Uani 1 1 d . . .
H26A H 0.7228 0.4257 0.2186 0.073 Uiso 1 1 calc R . .
H26B H 0.6691 0.3986 0.1930 0.073 Uiso 1 1 calc R . .
C27 C 0.7476(8) 0.4355(12) 0.1681(4) 0.070(5) Uani 1 1 d . . .
H27A H 0.7829 0.4718 0.1737 0.084 Uiso 1 1 calc R . .
H27B H 0.7628 0.3774 0.1660 0.084 Uiso 1 1 calc R . .
C28 C 0.5550(7) 0.8485(10) 0.0980(4) 0.051(4) Uani 1 1 d . . .
C29 C 0.5963(8) 0.8645(12) 0.0722(3) 0.061(5) Uani 1 1 d U . .
H29 H 0.6154 0.8191 0.0608 0.073 Uiso 1 1 calc R . .
C30 C 0.6105(7) 0.9471(12) 0.0626(3) 0.058(4) Uani 1 1 d U . .
H30 H 0.6417 0.9582 0.0464 0.069 Uiso 1 1 calc R . .
C31 C 0.5772(7) 1.0134(11) 0.0777(4) 0.057(5) Uani 1 1 d . . .
C32 C 0.5321(7) 0.9964(12) 0.1026(4) 0.059(5) Uani 1 1 d . . .
H32 H 0.5092 1.0413 0.1120 0.071 Uiso 1 1 calc R . .
C33 C 0.5212(7) 0.9170(10) 0.1133(3) 0.042(4) Uani 1 1 d . . .
C34 C 0.4757(8) 0.8964(12) 0.1405(4) 0.070(5) Uani 1 1 d . . .
H34A H 0.4945 0.8566 0.1568 0.084 Uiso 1 1 calc R . .
H34B H 0.4655 0.9482 0.1531 0.084 Uiso 1 1 calc R . .
C35 C 0.4528(6) 0.6593(10) 0.2025(4) 0.048(4) Uani 1 1 d . . .
C36 C 0.4628(6) 0.5704(11) 0.2088(4) 0.049(4) Uani 1 1 d . . .
H36 H 0.4723 0.5337 0.1905 0.059 Uiso 1 1 calc R . .
C37 C 0.4584(6) 0.5399(11) 0.2421(3) 0.050(4) Uani 1 1 d . . .
H37 H 0.4671 0.4827 0.2469 0.060 Uiso 1 1 calc R . .
C38 C 0.4410(8) 0.5937(14) 0.2683(4) 0.073(6) Uani 1 1 d . . .
C39 C 0.4333(7) 0.6800(13) 0.2623(3) 0.062(5) Uani 1 1 d . . .
H39 H 0.4262 0.7172 0.2808 0.074 Uiso 1 1 calc R . .
C40 C 0.4363(7) 0.7094(10) 0.2298(4) 0.050(4) Uani 1 1 d . . .
C41 C 0.4176(8) 0.8031(12) 0.2231(4) 0.070(5) Uani 1 1 d . . .
H41A H 0.4103 0.8324 0.2449 0.084 Uiso 1 1 calc R . .
H41B H 0.4506 0.8327 0.2107 0.084 Uiso 1 1 calc R . .
C42 C 0.3662(8) 0.6788(11) 0.0845(4) 0.054(4) Uani 1 1 d . . .
C43 C 0.3688(7) 0.7117(11) 0.0513(4) 0.053(4) Uani 1 1 d . . .
H43 H 0.4024 0.7462 0.0452 0.064 Uiso 1 1 calc R . .
C44 C 0.3252(8) 0.6959(12) 0.0279(4) 0.068(5) Uani 1 1 d . . .
H44 H 0.3295 0.7178 0.0056 0.081 Uiso 1 1 calc R . .
C45 C 0.2741(8) 0.6480(12) 0.0360(4) 0.070(5) Uani 1 1 d . . .
C46 C 0.2691(8) 0.6090(10) 0.0682(4) 0.060(5) Uani 1 1 d . . .
H46 H 0.2354 0.5736 0.0732 0.072 Uiso 1 1 calc R . .
C47 C 0.3151(8) 0.6237(12) 0.0927(4) 0.058(5) Uani 1 1 d . . .
C48 C 0.3138(8) 0.5836(10) 0.1275(3) 0.061(5) Uani 1 1 d . . .
H48A H 0.3521 0.5519 0.1314 0.074 Uiso 1 1 calc R . .
H48B H 0.2791 0.5440 0.1291 0.074 Uiso 1 1 calc R . .
C49 C 0.3739(6) 0.9233(9) 0.1155(4) 0.046(4) Uani 1 1 d . . .
H49A H 0.3871 0.9480 0.0936 0.056 Uiso 1 1 calc R . .
H49B H 0.3704 0.9689 0.1325 0.056 Uiso 1 1 calc R . .
C50 C 0.3108(7) 0.8787(10) 0.1111(4) 0.057(5) Uani 1 1 d . . .
H50A H 0.2787 0.9216 0.1078 0.068 Uiso 1 1 calc R . .
H50B H 0.3120 0.8433 0.0904 0.068 Uiso 1 1 calc R . .
C51 C 0.3361(7) 0.8893(12) 0.1969(4) 0.061(5) Uani 1 1 d . . .
H51A H 0.3680 0.9264 0.1873 0.074 Uiso 1 1 calc R . .
H51B H 0.3214 0.9135 0.2186 0.074 Uiso 1 1 calc R . .
C52 C 0.2828(8) 0.8786(13) 0.1714(4) 0.072(6) Uani 1 1 d . . .
H52A H 0.2476 0.8546 0.1839 0.086 Uiso 1 1 calc R . .
H52B H 0.2705 0.9350 0.1635 0.086 Uiso 1 1 calc R . .
C53 C 0.2448(8) 0.6959(11) 0.1566(4) 0.068(5) Uani 1 1 d . . .
H53A H 0.2128 0.6555 0.1497 0.082 Uiso 1 1 calc R . .
H53B H 0.2363 0.7131 0.1803 0.082 Uiso 1 1 calc R . .
C54 C 0.2418(6) 0.7721(11) 0.1337(4) 0.055(5) Uani 1 1 d . . .
H54A H 0.2426 0.7545 0.1095 0.065 Uiso 1 1 calc R . .
H54B H 0.2035 0.8033 0.1378 0.065 Uiso 1 1 calc R . .
C55 C 0.4766(9) 0.5661(11) 0.0381(4) 0.078(6) Uani 1 1 d . . .
H55A H 0.4971 0.5659 0.0159 0.118 Uiso 1 1 calc R . .
H55B H 0.4327 0.5751 0.0348 0.118 Uiso 1 1 calc R . .
H55C H 0.4832 0.5122 0.0494 0.118 Uiso 1 1 calc R . .
N9 N 0.7704(8) 0.7150(13) 0.2234(4) 0.073(5) Uani 1 1 d . . .
O8 O 0.7730(6) 0.6408(11) 0.2229(3) 0.092(4) Uani 1 1 d . . .
O9 O 0.7653(10) 0.7411(13) 0.1939(4) 0.153(8) Uani 1 1 d . . .
O10 O 0.7709(7) 0.7552(12) 0.2473(4) 0.128(7) Uani 1 1 d . . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.137(11) . ?
Dy1 O4 2.195(11) . ?
Dy1 O3 2.367(10) . ?
Dy1 O6 2.388(10) . ?
Dy1 O5 2.393(9) . ?
Dy1 O2 2.413(10) . ?
Dy1 O7 2.445(9) . ?
Dy1 Zn1 3.558(2) . ?
Zn1 O3 2.012(11) . ?
Zn1 O2 2.119(9) . ?
Zn1 N3 2.123(12) . ?
Zn1 N4 2.140(14) . ?
Zn1 N1 2.209(14) . ?
Zn1 N2 2.314(14) . ?
Zn2 O5 2.081(10) . ?
Zn2 O6 2.113(9) . ?
Zn2 N7 2.133(14) . ?
Zn2 N8 2.134(11) . ?
Zn2 N5 2.227(13) . ?
Zn2 N6 2.278(12) . ?
Br1 C4 1.894(18) . ?
Br2 C11 1.906(14) . ?
Br3 C18 1.885(14) . ?
Br4 C31 1.919(17) . ?
Br5 C38 1.904(16) . ?
Br6 C45 1.888(16) . ?
N1 C23 1.42(2) . ?
N1 C27 1.469(18) . ?
N1 C25 1.56(2) . ?
N2 C7 1.477(19) . ?
N2 C22 1.55(2) . ?
N2 H2N 0.8963 . ?
N3 C21 1.498(18) . ?
N3 C26 1.520(19) . ?
N3 H3N 0.8971 . ?
N4 C24 1.50(2) . ?
N4 C14 1.507(18) . ?
N4 H4N 0.8996 . ?
N5 C54 1.461(19) . ?
N5 C52 1.49(2) . ?
N5 C50 1.494(18) . ?
N6 C34 1.45(2) . ?
N6 C49 1.499(17) . ?
N6 H6N 0.8978 . ?
N7 C53 1.53(2) . ?
N7 C48 1.556(18) . ?
N7 H7N 0.8987 . ?
N8 C41 1.491(19) . ?
N8 C51 1.51(2) . ?
N8 H8N 0.8968 . ?
O1 C1 1.374(17) . ?
O2 C8 1.335(17) . ?
O3 C15 1.401(18) . ?
O4 C28 1.348(17) . ?
O5 C35 1.358(16) . ?
O6 C42 1.326(18) . ?
O7 C55 1.420(17) . ?
O7 H7O 0.8522 . ?
C1 C6 1.40(2) . ?
C1 C2 1.43(2) . ?
C2 C3 1.34(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.42(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.39(2) . ?
C5 C6 1.33(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.52(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.37(2) . ?
C8 C13 1.40(2) . ?
C9 C10 1.47(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.41(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.33(2) . ?
C12 C13 1.402(19) . ?
C12 H12 0.9500 . ?
C13 C14 1.51(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.35(2) . ?
C15 C20 1.418(19) . ?
C16 C17 1.43(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.35(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.41(3) . ?
C19 C20 1.42(2) . ?
C19 H19 0.9500 . ?
C20 C21 1.47(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.49(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.44(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.50(2) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.38(2) . ?
C28 C33 1.45(2) . ?
C29 C30 1.41(2) . ?
C29 H29 0.9500 . ?
C30 C31 1.41(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.42(2) . ?
C32 C33 1.36(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.50(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C40 1.385(19) . ?
C35 C36 1.46(2) . ?
C36 C37 1.402(19) . ?
C36 H36 0.9500 . ?
C37 C38 1.39(2) . ?
C37 H37 0.9500 . ?
C38 C39 1.41(3) . ?
C39 C40 1.364(19) . ?
C39 H39 0.9500 . ?
C40 C41 1.57(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.41(2) . ?
C42 C47 1.46(2) . ?
C43 C44 1.35(2) . ?
C43 H43 0.9500 . ?
C44 C45 1.39(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.41(2) . ?
C46 C47 1.41(2) . ?
C46 H46 0.9500 . ?
C47 C48 1.51(2) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.56(2) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.55(2) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.52(2) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
N9 O10 1.138(18) . ?
N9 O8 1.186(19) . ?
N9 O9 1.239(19) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O4 169.3(3) . . ?
O1 Dy1 O3 95.6(4) . . ?
O4 Dy1 O3 92.6(4) . . ?
O1 Dy1 O6 90.9(3) . . ?
O4 Dy1 O6 86.4(3) . . ?
O3 Dy1 O6 144.0(3) . . ?
O1 Dy1 O5 94.3(3) . . ?
O4 Dy1 O5 94.3(3) . . ?
O3 Dy1 O5 76.6(3) . . ?
O6 Dy1 O5 67.6(3) . . ?
O1 Dy1 O2 83.0(4) . . ?
O4 Dy1 O2 94.0(4) . . ?
O3 Dy1 O2 67.0(3) . . ?
O6 Dy1 O2 149.0(3) . . ?
O5 Dy1 O2 143.0(3) . . ?
O1 Dy1 O7 87.4(4) . . ?
O4 Dy1 O7 81.8(4) . . ?
O3 Dy1 O7 139.7(3) . . ?
O6 Dy1 O7 75.9(3) . . ?
O5 Dy1 O7 143.4(3) . . ?
O2 Dy1 O7 73.5(3) . . ?
O1 Dy1 Zn1 83.9(3) . . ?
O4 Dy1 Zn1 99.7(3) . . ?
O3 Dy1 Zn1 32.4(2) . . ?
O6 Dy1 Zn1 172.6(2) . . ?
O5 Dy1 Zn1 107.6(2) . . ?
O2 Dy1 Zn1 35.4(2) . . ?
O7 Dy1 Zn1 108.9(2) . . ?
O3 Zn1 O2 79.4(4) . . ?
O3 Zn1 N3 90.6(5) . . ?
O2 Zn1 N3 167.3(4) . . ?
O3 Zn1 N4 100.0(5) . . ?
O2 Zn1 N4 88.6(5) . . ?
N3 Zn1 N4 100.9(5) . . ?
O3 Zn1 N1 173.2(4) . . ?
O2 Zn1 N1 106.9(4) . . ?
N3 Zn1 N1 82.8(5) . . ?
N4 Zn1 N1 83.2(5) . . ?
O3 Zn1 N2 103.5(5) . . ?
O2 Zn1 N2 77.9(4) . . ?
N3 Zn1 N2 97.2(5) . . ?
N4 Zn1 N2 150.1(5) . . ?
N1 Zn1 N2 75.6(5) . . ?
O3 Zn1 Dy1 39.1(3) . . ?
O2 Zn1 Dy1 41.3(3) . . ?
N3 Zn1 Dy1 127.2(4) . . ?
N4 Zn1 Dy1 102.8(4) . . ?
N1 Zn1 Dy1 146.3(3) . . ?
N2 Zn1 Dy1 84.5(4) . . ?
O5 Zn2 O6 78.6(4) . . ?
O5 Zn2 N7 105.1(4) . . ?
O6 Zn2 N7 88.8(4) . . ?
O5 Zn2 N8 91.7(4) . . ?
O6 Zn2 N8 169.1(4) . . ?
N7 Zn2 N8 98.7(5) . . ?
O5 Zn2 N5 171.5(4) . . ?
O6 Zn2 N5 108.1(4) . . ?
N7 Zn2 N5 80.5(5) . . ?
N8 Zn2 N5 81.1(4) . . ?
O5 Zn2 N6 98.4(4) . . ?
O6 Zn2 N6 77.9(4) . . ?
N7 Zn2 N6 150.2(4) . . ?
N8 Zn2 N6 98.7(5) . . ?
N5 Zn2 N6 78.5(4) . . ?
C23 N1 C27 116.8(16) . . ?
C23 N1 C25 112.5(13) . . ?
C27 N1 C25 108.4(13) . . ?
C23 N1 Zn1 108.1(10) . . ?
C27 N1 Zn1 105.7(9) . . ?
C25 N1 Zn1 104.3(10) . . ?
C7 N2 C22 109.2(14) . . ?
C7 N2 Zn1 131.0(11) . . ?
C22 N2 Zn1 111.4(9) . . ?
C7 N2 H2N 96.5 . . ?
C22 N2 H2N 106.7 . . ?
Zn1 N2 H2N 97.0 . . ?
C21 N3 C26 116.5(13) . . ?
C21 N3 Zn1 111.0(9) . . ?
C26 N3 Zn1 104.0(9) . . ?
C21 N3 H3N 106.9 . . ?
C26 N3 H3N 109.3 . . ?
Zn1 N3 H3N 109.0 . . ?
C24 N4 C14 116.5(12) . . ?
C24 N4 Zn1 108.0(10) . . ?
C14 N4 Zn1 114.4(10) . . ?
C24 N4 H4N 104.6 . . ?
C14 N4 H4N 110.8 . . ?
Zn1 N4 H4N 101.1 . . ?
C54 N5 C52 110.9(12) . . ?
C54 N5 C50 111.5(11) . . ?
C52 N5 C50 110.4(14) . . ?
C54 N5 Zn2 110.4(10) . . ?
C52 N5 Zn2 106.2(9) . . ?
C50 N5 Zn2 107.3(8) . . ?
C34 N6 C49 113.8(13) . . ?
C34 N6 Zn2 120.6(9) . . ?
C49 N6 Zn2 112.8(9) . . ?
C34 N6 H6N 100.6 . . ?
C49 N6 H6N 102.8 . . ?
Zn2 N6 H6N 103.0 . . ?
C53 N7 C48 115.6(12) . . ?
C53 N7 Zn2 108.4(10) . . ?
C48 N7 Zn2 114.6(9) . . ?
C53 N7 H7N 105.1 . . ?
C48 N7 H7N 106.8 . . ?
Zn2 N7 H7N 105.4 . . ?
C41 N8 C51 111.5(13) . . ?
C41 N8 Zn2 111.5(10) . . ?
C51 N8 Zn2 107.8(8) . . ?
C41 N8 H8N 110.0 . . ?
C51 N8 H8N 109.7 . . ?
Zn2 N8 H8N 106.1 . . ?
C1 O1 Dy1 167.0(8) . . ?
C8 O2 Zn1 114.3(9) . . ?
C8 O2 Dy1 135.8(9) . . ?
Zn1 O2 Dy1 103.3(4) . . ?
C15 O3 Zn1 119.7(9) . . ?
C15 O3 Dy1 129.9(9) . . ?
Zn1 O3 Dy1 108.4(4) . . ?
C28 O4 Dy1 173.9(10) . . ?
C35 O5 Zn2 114.9(8) . . ?
C35 O5 Dy1 132.9(9) . . ?
Zn2 O5 Dy1 106.6(3) . . ?
C42 O6 Zn2 115.0(9) . . ?
C42 O6 Dy1 136.3(9) . . ?
Zn2 O6 Dy1 105.8(4) . . ?
C55 O7 Dy1 130.1(10) . . ?
C55 O7 H7O 109.2 . . ?
Dy1 O7 H7O 118.7 . . ?
O1 C1 C6 123.1(14) . . ?
O1 C1 C2 121.5(15) . . ?
C6 C1 C2 115.4(15) . . ?
C3 C2 C1 122.2(16) . . ?
C3 C2 H2 118.9 . . ?
C1 C2 H2 118.9 . . ?
C2 C3 C4 120.9(15) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C5 C4 C3 116.4(16) . . ?
C5 C4 Br1 122.4(13) . . ?
C3 C4 Br1 121.2(12) . . ?
C6 C5 C4 122.8(16) . . ?
C6 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
C5 C6 C1 122.3(15) . . ?
C5 C6 C7 121.4(15) . . ?
C1 C6 C7 116.2(15) . . ?
N2 C7 C6 118.1(13) . . ?
N2 C7 H7A 107.8 . . ?
C6 C7 H7A 107.8 . . ?
N2 C7 H7B 107.8 . . ?
C6 C7 H7B 107.8 . . ?
H7A C7 H7B 107.1 . . ?
O2 C8 C9 118.6(15) . . ?
O2 C8 C13 120.9(13) . . ?
C9 C8 C13 120.3(15) . . ?
C8 C9 C10 119.5(15) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C11 C10 C9 117.2(14) . . ?
C11 C10 H10 121.4 . . ?
C9 C10 H10 121.4 . . ?
C12 C11 C10 122.0(14) . . ?
C12 C11 Br2 121.4(13) . . ?
C10 C11 Br2 116.6(11) . . ?
C11 C12 C13 121.4(15) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?
C12 C13 C8 119.8(14) . . ?
C12 C13 C14 121.2(13) . . ?
C8 C13 C14 119.0(13) . . ?
N4 C14 C13 110.5(14) . . ?
N4 C14 H14A 109.5 . . ?
C13 C14 H14A 109.5 . . ?
N4 C14 H14B 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C16 C15 O3 123.0(13) . . ?
C16 C15 C20 120.5(15) . . ?
O3 C15 C20 116.5(16) . . ?
C15 C16 C17 120.6(15) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C18 C17 C16 118.8(17) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C17 C18 C19 121.4(14) . . ?
C17 C18 Br3 120.8(15) . . ?
C19 C18 Br3 117.3(12) . . ?
C18 C19 C20 118.4(15) . . ?
C18 C19 H19 120.8 . . ?
C20 C19 H19 120.8 . . ?
C19 C20 C15 118.8(17) . . ?
C19 C20 C21 118.6(14) . . ?
C15 C20 C21 122.3(14) . . ?
C20 C21 N3 110.5(13) . . ?
C20 C21 H21A 109.6 . . ?
N3 C21 H21A 109.6 . . ?
C20 C21 H21B 109.6 . . ?
N3 C21 H21B 109.6 . . ?
H21A C21 H21B 108.1 . . ?
C23 C22 N2 104.7(15) . . ?
C23 C22 H22A 110.8 . . ?
N2 C22 H22A 110.8 . . ?
C23 C22 H22B 110.8 . . ?
N2 C22 H22B 110.8 . . ?
H22A C22 H22B 108.9 . . ?
N1 C23 C22 113.1(15) . . ?
N1 C23 H23A 109.0 . . ?
C22 C23 H23A 109.0 . . ?
N1 C23 H23B 109.0 . . ?
C22 C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
C25 C24 N4 112.3(13) . . ?
C25 C24 H24A 109.1 . . ?
N4 C24 H24A 109.1 . . ?
C25 C24 H24B 109.1 . . ?
N4 C24 H24B 109.1 . . ?
H24A C24 H24B 107.9 . . ?
C24 C25 N1 112.9(13) . . ?
C24 C25 H25A 109.0 . . ?
N1 C25 H25A 109.0 . . ?
C24 C25 H25B 109.0 . . ?
N1 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
C27 C26 N3 107.8(12) . . ?
C27 C26 H26A 110.1 . . ?
N3 C26 H26A 110.1 . . ?
C27 C26 H26B 110.1 . . ?
N3 C26 H26B 110.1 . . ?
H26A C26 H26B 108.5 . . ?
N1 C27 C26 113.7(13) . . ?
N1 C27 H27A 108.8 . . ?
C26 C27 H27A 108.8 . . ?
N1 C27 H27B 108.8 . . ?
C26 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
O4 C28 C29 121.2(16) . . ?
O4 C28 C33 118.7(14) . . ?
C29 C28 C33 119.8(14) . . ?
C28 C29 C30 121.1(15) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C29 C30 C31 118.3(15) . . ?
C29 C30 H30 120.9 . . ?
C31 C30 H30 120.9 . . ?
C30 C31 C32 120.4(16) . . ?
C30 C31 Br4 119.7(13) . . ?
C32 C31 Br4 119.8(14) . . ?
C33 C32 C31 121.0(15) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C32 C33 C28 119.1(14) . . ?
C32 C33 C34 122.9(14) . . ?
C28 C33 C34 118.0(15) . . ?
N6 C34 C33 113.1(13) . . ?
N6 C34 H34A 109.0 . . ?
C33 C34 H34A 109.0 . . ?
N6 C34 H34B 109.0 . . ?
C33 C34 H34B 109.0 . . ?
H34A C34 H34B 107.8 . . ?
O5 C35 C40 122.3(15) . . ?
O5 C35 C36 119.3(12) . . ?
C40 C35 C36 118.2(14) . . ?
C37 C36 C35 119.0(14) . . ?
C37 C36 H36 120.5 . . ?
C35 C36 H36 120.5 . . ?
C38 C37 C36 119.6(16) . . ?
C38 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
C37 C38 C39 121.0(15) . . ?
C37 C38 Br5 119.8(15) . . ?
C39 C38 Br5 119.0(12) . . ?
C40 C39 C38 119.2(15) . . ?
C40 C39 H39 120.4 . . ?
C38 C39 H39 120.4 . . ?
C39 C40 C35 122.6(16) . . ?
C39 C40 C41 118.2(14) . . ?
C35 C40 C41 119.1(13) . . ?
N8 C41 C40 107.5(14) . . ?
N8 C41 H41A 110.2 . . ?
C40 C41 H41A 110.2 . . ?
N8 C41 H41B 110.2 . . ?
C40 C41 H41B 110.2 . . ?
H41A C41 H41B 108.5 . . ?
O6 C42 C43 122.8(16) . . ?
O6 C42 C47 119.7(13) . . ?
C43 C42 C47 117.5(15) . . ?
C44 C43 C42 122.2(16) . . ?
C44 C43 H43 118.9 . . ?
C42 C43 H43 118.9 . . ?
C43 C44 C45 121.2(16) . . ?
C43 C44 H44 119.4 . . ?
C45 C44 H44 119.4 . . ?
C44 C45 C46 120.5(15) . . ?
C44 C45 Br6 120.6(15) . . ?
C46 C45 Br6 118.9(14) . . ?
C45 C46 C47 118.8(16) . . ?
C45 C46 H46 120.6 . . ?
C47 C46 H46 120.6 . . ?
C46 C47 C42 119.7(14) . . ?
C46 C47 C48 122.3(16) . . ?
C42 C47 C48 118.0(14) . . ?
C47 C48 N7 109.2(13) . . ?
C47 C48 H48A 109.8 . . ?
N7 C48 H48A 109.8 . . ?
C47 C48 H48B 109.8 . . ?
N7 C48 H48B 109.8 . . ?
H48A C48 H48B 108.3 . . ?
N6 C49 C50 108.6(12) . . ?
N6 C49 H49A 110.0 . . ?
C50 C49 H49A 110.0 . . ?
N6 C49 H49B 110.0 . . ?
C50 C49 H49B 110.0 . . ?
H49A C49 H49B 108.4 . . ?
N5 C50 C49 112.5(12) . . ?
N5 C50 H50A 109.1 . . ?
C49 C50 H50A 109.1 . . ?
N5 C50 H50B 109.1 . . ?
C49 C50 H50B 109.1 . . ?
H50A C50 H50B 107.8 . . ?
N8 C51 C52 105.0(14) . . ?
N8 C51 H51A 110.7 . . ?
C52 C51 H51A 110.7 . . ?
N8 C51 H51B 110.7 . . ?
C52 C51 H51B 110.7 . . ?
H51A C51 H51B 108.8 . . ?
N5 C52 C51 117.0(14) . . ?
N5 C52 H52A 108.1 . . ?
C51 C52 H52A 108.1 . . ?
N5 C52 H52B 108.1 . . ?
C51 C52 H52B 108.1 . . ?
H52A C52 H52B 107.3 . . ?
C54 C53 N7 111.9(13) . . ?
C54 C53 H53A 109.2 . . ?
N7 C53 H53A 109.2 . . ?
C54 C53 H53B 109.2 . . ?
N7 C53 H53B 109.2 . . ?
H53A C53 H53B 107.9 . . ?
N5 C54 C53 108.5(12) . . ?
N5 C54 H54A 110.0 . . ?
C53 C54 H54A 110.0 . . ?
N5 C54 H54B 110.0 . . ?
C53 C54 H54B 110.0 . . ?
H54A C54 H54B 108.4 . . ?
O7 C55 H55A 109.5 . . ?
O7 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O7 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O10 N9 O8 125(2) . . ?
O10 N9 O9 126(2) . . ?
O8 N9 O9 108.8(17) . . ?

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 0.000 301 91 ' '
2 0.211 0.007 0.227 45 15 ' '
3 0.711 0.008 0.273 45 15 ' '
4 1.000 0.000 0.500 301 91 ' '
5 0.289 -0.008 0.727 45 16 ' '
6 0.789 -0.008 0.773 45 16 ' '
7 0.420 0.105 0.176 17 3 ' '
8 0.920 0.105 0.324 17 3 ' '
9 0.500 0.500 0.500 301 91 ' '
10 0.000 0.500 1.000 301 91 ' '
11 0.420 0.395 0.676 17 4 ' '
12 0.920 0.395 0.824 17 3 ' '
13 0.211 0.492 0.727 45 15 ' '
14 0.711 0.492 0.773 45 16 ' '
15 0.289 0.508 0.227 45 15 ' '
16 0.789 0.508 0.273 45 15 ' '
17 0.080 0.605 0.176 17 4 ' '
18 0.580 0.605 0.324 17 3 ' '
19 0.080 0.895 0.676 17 4 ' '
20 0.580 0.895 0.824 17 4 ' '
_platon_squeeze_details          
;
;

_diffrn_measured_fraction_theta_max 0.959
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.959
_refine_diff_density_max         1.452
_refine_diff_density_min         -2.042
_refine_diff_density_rms         0.183

#_eof
#End of Crystallographic Information File

# Attachment 'Ming-Liang Tong.vcf'




_database_code_depnum_ccdc_archive 'CCDC 924443'
