 
data_d 
_database_code_depnum_ccdc_archive 'CCDC 781817' 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C33 H37 Cl2 Dy2 N7 O9' 
_chemical_formula_weight          1071.60 
 
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' 
 'Dy'  'Dy'  -0.1892   4.4098 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.1484   0.1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1)/c 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
 
_cell_length_a                    9.6970(5) 
_cell_length_b                    29.0923(13) 
_cell_length_c                    13.9203(7) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  103.6050(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      3816.8(3) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     186(2) 
_cell_measurement_reflns_used     7393
_cell_measurement_theta_min       2.27
_cell_measurement_theta_max       26.02
 
_exptl_crystal_description        block 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.17 
_exptl_crystal_size_mid           0.15 
_exptl_crystal_size_min           0.12 
_exptl_crystal_density_meas       'not measured'
_exptl_crystal_density_diffrn     1.865 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2088 
_exptl_absorpt_coefficient_mu     4.086 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.5434 
_exptl_absorpt_correction_T_max   0.6398 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       186(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   'CCD area detector'
_diffrn_measurement_method        'phi and omega scans'
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          none 
_diffrn_standards_interval_count  'not measured' 
_diffrn_standards_interval_time   'not measured' 
_diffrn_standards_decay_%         none
_diffrn_reflns_number             21026 
_diffrn_reflns_av_R_equivalents   0.0519 
_diffrn_reflns_av_sigmaI/netI     0.0617 
_diffrn_reflns_limit_h_min        -9 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -25 
_diffrn_reflns_limit_k_max        35 
_diffrn_reflns_limit_l_min        -17 
_diffrn_reflns_limit_l_max        16 
_diffrn_reflns_theta_min          2.06 
_diffrn_reflns_theta_max          26.04 
_reflns_number_total              7508 
_reflns_number_gt                 5370 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Bruker SMART' 
_computing_cell_refinement        'Bruker SMART' 
_computing_data_reduction         'Bruker SMART'
_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)+(0.0235P)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          7508 
_refine_ls_number_parameters      484 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0618 
_refine_ls_R_factor_gt            0.0352 
_refine_ls_wR_factor_ref          0.0705 
_refine_ls_wR_factor_gt           0.0624 
_refine_ls_goodness_of_fit_ref    1.001 
_refine_ls_restrained_S_all       1.001 
_refine_ls_shift/su_max           0.000 
_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 
Cl1 Cl 0.52265(16) 0.09394(5) 0.18203(12) 0.0370(4) Uani 1 1 d . . . 
Cl2 Cl 0.95701(15) 0.14846(5) 0.47029(11) 0.0316(3) Uani 1 1 d . . . 
Dy1 Dy 0.49628(3) 0.128995(8) 0.494431(18) 0.01980(7) Uani 1 1 d . . . 
Dy2 Dy 0.74309(3) 0.123194(8) 0.313521(19) 0.02173(8) Uani 1 1 d . . . 
N1 N 0.4935(4) 0.21641(14) 0.5107(3) 0.0218(10) Uani 1 1 d . . . 
N2 N 0.6706(5) 0.23548(14) 0.3173(3) 0.0258(11) Uani 1 1 d . . . 
N3 N 0.7387(4) 0.20435(14) 0.2654(3) 0.0225(11) Uani 1 1 d . . . 
N4 N 0.8278(4) 0.04222(14) 0.3451(3) 0.0207(10) Uani 1 1 d . . . 
N5 N 0.6548(4) 0.02461(13) 0.5431(3) 0.0195(10) Uani 1 1 d . . . 
N6 N 0.5689(4) 0.05494(13) 0.5842(3) 0.0202(10) Uani 1 1 d . . . 
N7 N 0.1681(7) 0.9554(2) 0.1367(5) 0.0659(19) Uani 1 1 d . . . 
O1 O 0.5956(4) 0.16920(11) 0.3822(3) 0.0217(9) Uani 1 1 d . . . 
O2 O 0.8782(4) 0.12796(12) 0.2118(3) 0.0266(9) Uani 1 1 d . . . 
O3 O 1.0417(4) 0.09335(13) 0.1054(3) 0.0331(10) Uani 1 1 d . . . 
O4 O 0.6615(4) 0.08485(11) 0.4372(3) 0.0196(8) Uani 1 1 d . . . 
O5 O 0.4209(4) 0.13130(12) 0.6259(3) 0.0302(9) Uani 1 1 d . . . 
O6 O 0.2732(5) 0.17040(13) 0.7369(4) 0.0499(13) Uani 1 1 d . . . 
O7 O 0.3515(4) 0.06841(11) 0.4057(3) 0.0255(9) Uani 1 1 d . . . 
H7A H 0.3654 0.0389 0.4359 0.031 Uiso 1 1 calc R . . 
O8 O 0.2607(4) 0.15945(12) 0.4215(3) 0.0306(10) Uani 1 1 d . . . 
H8 H 0.1883 0.1487 0.4515 0.037 Uiso 1 1 calc R . . 
O9 O 0.7254(4) 0.14965(12) 0.5997(3) 0.0310(10) Uani 1 1 d . . . 
H9 H 0.7887 0.1662 0.5699 0.037 Uiso 1 1 calc R . . 
C1 C 0.5452(5) 0.24114(18) 0.4453(4) 0.0223(13) Uani 1 1 d . . . 
C2 C 0.5401(6) 0.28910(18) 0.4441(4) 0.0321(15) Uani 1 1 d . . . 
H2 H 0.5753 0.3062 0.3969 0.039 Uiso 1 1 calc R . . 
C3 C 0.4818(6) 0.3112(2) 0.5142(5) 0.0363(16) Uani 1 1 d . . . 
H3 H 0.4771 0.3439 0.5153 0.044 Uiso 1 1 calc R . . 
C4 C 0.4313(6) 0.28579(19) 0.5819(4) 0.0331(15) Uani 1 1 d . . . 
H4 H 0.3923 0.3006 0.6304 0.040 Uiso 1 1 calc R . . 
C5 C 0.4380(6) 0.2387(2) 0.5782(4) 0.0307(14) Uani 1 1 d . . . 
H5 H 0.4025 0.2212 0.6246 0.037 Uiso 1 1 calc R . . 
C6 C 0.6081(6) 0.21455(18) 0.3763(4) 0.0227(13) Uani 1 1 d . . . 
C7 C 0.7930(5) 0.22376(18) 0.2003(4) 0.0265(14) Uani 1 1 d . . . 
H7 H 0.7762 0.2558 0.1910 0.032 Uiso 1 1 calc R . . 
C8 C 0.8767(6) 0.20249(18) 0.1398(4) 0.0267(13) Uani 1 1 d . . . 
C9 C 0.9175(6) 0.15609(18) 0.1487(4) 0.0246(13) Uani 1 1 d . . . 
C10 C 1.0086(6) 0.1391(2) 0.0913(4) 0.0279(14) Uani 1 1 d . . . 
C11 C 1.0540(7) 0.1675(2) 0.0257(5) 0.0463(18) Uani 1 1 d . . . 
H11 H 1.1153 0.1559 -0.0127 0.056 Uiso 1 1 calc R . . 
C12 C 1.0105(7) 0.2133(2) 0.0154(5) 0.053(2) Uani 1 1 d . . . 
H12 H 1.0406 0.2326 -0.0308 0.064 Uiso 1 1 calc R . . 
C13 C 0.9250(7) 0.2304(2) 0.0714(5) 0.0408(17) Uani 1 1 d . . . 
H13 H 0.8971 0.2618 0.0644 0.049 Uiso 1 1 calc R . . 
C14 C 1.1376(6) 0.0747(2) 0.0509(5) 0.0390(16) Uani 1 1 d . . . 
H14A H 1.0947 0.0769 -0.0201 0.058 Uiso 1 1 calc R . . 
H14B H 1.1568 0.0424 0.0691 0.058 Uiso 1 1 calc R . . 
H14C H 1.2266 0.0921 0.0666 0.058 Uiso 1 1 calc R . . 
C15 C 0.7913(5) 0.01799(17) 0.4178(4) 0.0186(12) Uani 1 1 d . . . 
C16 C 0.8392(5) -0.02619(17) 0.4401(4) 0.0240(13) Uani 1 1 d . . . 
H16 H 0.8147 -0.0425 0.4928 0.029 Uiso 1 1 calc R . . 
C17 C 0.9232(6) -0.04646(18) 0.3847(4) 0.0282(14) Uani 1 1 d . . . 
H17 H 0.9547 -0.0773 0.3977 0.034 Uiso 1 1 calc R . . 
C18 C 0.9608(6) -0.02198(19) 0.3111(4) 0.0279(14) Uani 1 1 d . . . 
H18 H 1.0207 -0.0351 0.2734 0.034 Uiso 1 1 calc R . . 
C19 C 0.9101(5) 0.02219(19) 0.2928(4) 0.0243(13) Uani 1 1 d . . . 
H19 H 0.9347 0.0391 0.2408 0.029 Uiso 1 1 calc R . . 
C20 C 0.6966(5) 0.04346(17) 0.4700(4) 0.0201(12) Uani 1 1 d . . . 
C21 C 0.5371(5) 0.03887(17) 0.6634(4) 0.0228(13) Uani 1 1 d . . . 
H21 H 0.5722 0.0092 0.6850 0.027 Uiso 1 1 calc R . . 
C22 C 0.4534(5) 0.06213(17) 0.7213(4) 0.0218(12) Uani 1 1 d . . . 
C23 C 0.4005(6) 0.10699(17) 0.7012(4) 0.0223(12) Uani 1 1 d . . . 
C24 C 0.3213(6) 0.12672(19) 0.7646(4) 0.0277(13) Uani 1 1 d . . . 
C25 C 0.2969(6) 0.1025(2) 0.8428(4) 0.0360(15) Uani 1 1 d . . . 
H25 H 0.2451 0.1163 0.8853 0.043 Uiso 1 1 calc R . . 
C26 C 0.3472(6) 0.05749(19) 0.8612(4) 0.0353(15) Uani 1 1 d . . . 
H26 H 0.3271 0.0406 0.9147 0.042 Uiso 1 1 calc R . . 
C27 C 0.4253(6) 0.03796(19) 0.8020(4) 0.0285(14) Uani 1 1 d . . . 
H27 H 0.4610 0.0077 0.8157 0.034 Uiso 1 1 calc R . . 
C28 C 0.1637(8) 0.1875(2) 0.7751(6) 0.069(2) Uani 1 1 d . . . 
H28A H 0.0876 0.1646 0.7666 0.103 Uiso 1 1 calc R . . 
H28B H 0.1268 0.2158 0.7400 0.103 Uiso 1 1 calc R . . 
H28C H 0.1994 0.1942 0.8456 0.103 Uiso 1 1 calc R . . 
C29 C 0.2455(6) 0.0705(2) 0.3124(4) 0.0349(15) Uani 1 1 d . . . 
H29A H 0.1557 0.0818 0.3241 0.052 Uiso 1 1 calc R . . 
H29B H 0.2314 0.0397 0.2832 0.052 Uiso 1 1 calc R . . 
H29C H 0.2782 0.0913 0.2670 0.052 Uiso 1 1 calc R . . 
C30 C 0.2130(7) 0.1906(2) 0.3415(5) 0.055(2) Uani 1 1 d . . . 
H30A H 0.2886 0.1954 0.3067 0.082 Uiso 1 1 calc R . . 
H30B H 0.1881 0.2200 0.3672 0.082 Uiso 1 1 calc R . . 
H30C H 0.1293 0.1778 0.2957 0.082 Uiso 1 1 calc R . . 
C31 C 0.7735(7) 0.1390(2) 0.7030(5) 0.0531(19) Uani 1 1 d . . . 
H31A H 0.8277 0.1650 0.7375 0.080 Uiso 1 1 calc R . . 
H31B H 0.8340 0.1116 0.7110 0.080 Uiso 1 1 calc R . . 
H31C H 0.6914 0.1331 0.7310 0.080 Uiso 1 1 calc R . . 
C32 C 0.2226(8) 0.9409(3) 0.0817(6) 0.056(2) Uani 1 1 d . . . 
C33 C 0.2949(9) 0.9239(4) 0.0094(7) 0.134(5) Uani 1 1 d . . . 
H33A H 0.2841 0.8905 0.0041 0.201 Uiso 1 1 calc R . . 
H33B H 0.3959 0.9317 0.0300 0.201 Uiso 1 1 calc R . . 
H33C H 0.2538 0.9380 -0.0548 0.201 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 
Cl1 Dy2 2.6083(15) . ? 
Cl2 Dy2 2.7342(15) . ? 
Dy1 O5 2.125(4) . ? 
Dy1 O1 2.334(3) . ? 
Dy1 O4 2.335(3) . ? 
Dy1 O7 2.406(3) . ? 
Dy1 O9 2.431(4) . ? 
Dy1 O8 2.438(4) . ? 
Dy1 N6 2.507(4) . ? 
Dy1 N1 2.554(4) . ? 
Dy1 Dy2 3.8645(4) . ? 
Dy2 O2 2.147(4) . ? 
Dy2 O1 2.322(3) . ? 
Dy2 O4 2.340(3) . ? 
Dy2 N3 2.452(4) . ? 
Dy2 N4 2.500(4) . ? 
N1 C1 1.347(7) . ? 
N1 C5 1.352(7) . ? 
N2 C6 1.284(7) . ? 
N2 N3 1.415(6) . ? 
N3 C7 1.280(7) . ? 
N4 C19 1.334(6) . ? 
N4 C15 1.347(6) . ? 
N5 C20 1.302(6) . ? 
N5 N6 1.422(6) . ? 
N6 C21 1.300(7) . ? 
N7 C32 1.110(9) . ? 
O1 C6 1.329(6) . ? 
O2 C9 1.321(6) . ? 
O3 C10 1.373(6) . ? 
O3 C14 1.437(6) . ? 
O4 C20 1.304(6) . ? 
O5 C23 1.317(6) . ? 
O6 C24 1.377(6) . ? 
O6 C28 1.386(7) . ? 
O7 C29 1.456(6) . ? 
O7 H7A 0.9500 . ? 
O8 C30 1.426(7) . ? 
O8 H8 0.9500 . ? 
O9 C31 1.438(7) . ? 
O9 H9 0.9500 . ? 
C1 C2 1.396(7) . ? 
C1 C6 1.472(7) . ? 
C2 C3 1.395(8) . ? 
C2 H2 0.9500 . ? 
C3 C4 1.375(8) . ? 
C3 H3 0.9500 . ? 
C4 C5 1.373(7) . ? 
C4 H4 0.9500 . ? 
C5 H5 0.9500 . ? 
C7 C8 1.440(8) . ? 
C7 H7 0.9500 . ? 
C8 C9 1.404(7) . ? 
C8 C13 1.413(8) . ? 
C9 C10 1.413(7) . ? 
C10 C11 1.378(8) . ? 
C11 C12 1.394(8) . ? 
C11 H11 0.9500 . ? 
C12 C13 1.359(8) . ? 
C12 H12 0.9500 . ? 
C13 H13 0.9500 . ? 
C14 H14A 0.9800 . ? 
C14 H14B 0.9800 . ? 
C14 H14C 0.9800 . ? 
C15 C16 1.377(7) . ? 
C15 C20 1.495(7) . ? 
C16 C17 1.378(7) . ? 
C16 H16 0.9500 . ? 
C17 C18 1.366(8) . ? 
C17 H17 0.9500 . ? 
C18 C19 1.378(7) . ? 
C18 H18 0.9500 . ? 
C19 H19 0.9500 . ? 
C21 C22 1.441(7) . ? 
C21 H21 0.9500 . ? 
C22 C23 1.406(7) . ? 
C22 C27 1.406(7) . ? 
C23 C24 1.421(7) . ? 
C24 C25 1.364(8) . ? 
C25 C26 1.400(8) . ? 
C25 H25 0.9500 . ? 
C26 C27 1.367(8) . ? 
C26 H26 0.9500 . ? 
C27 H27 0.9500 . ? 
C28 H28A 0.9800 . ? 
C28 H28B 0.9800 . ? 
C28 H28C 0.9800 . ? 
C29 H29A 0.9800 . ? 
C29 H29B 0.9800 . ? 
C29 H29C 0.9800 . ? 
C30 H30A 0.9800 . ? 
C30 H30B 0.9800 . ? 
C30 H30C 0.9800 . ? 
C31 H31A 0.9800 . ? 
C31 H31B 0.9800 . ? 
C31 H31C 0.9800 . ? 
C32 C33 1.443(11) . ? 
C33 H33A 0.9800 . ? 
C33 H33B 0.9800 . ? 
C33 H33C 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 
O5 Dy1 O1 147.19(12) . . ? 
O5 Dy1 O4 135.54(13) . . ? 
O1 Dy1 O4 67.83(11) . . ? 
O5 Dy1 O7 100.82(13) . . ? 
O1 Dy1 O7 107.85(12) . . ? 
O4 Dy1 O7 77.66(12) . . ? 
O5 Dy1 O9 85.62(14) . . ? 
O1 Dy1 O9 79.46(12) . . ? 
O4 Dy1 O9 74.85(12) . . ? 
O7 Dy1 O9 146.16(12) . . ? 
O5 Dy1 O8 82.48(14) . . ? 
O1 Dy1 O8 91.88(12) . . ? 
O4 Dy1 O8 135.12(13) . . ? 
O7 Dy1 O8 71.09(11) . . ? 
O9 Dy1 O8 142.66(12) . . ? 
O5 Dy1 N6 73.21(14) . . ? 
O1 Dy1 N6 130.73(13) . . ? 
O4 Dy1 N6 64.06(13) . . ? 
O7 Dy1 N6 71.81(12) . . ? 
O9 Dy1 N6 78.59(12) . . ? 
O8 Dy1 N6 130.23(13) . . ? 
O5 Dy1 N1 83.05(14) . . ? 
O1 Dy1 N1 64.86(13) . . ? 
O4 Dy1 N1 126.91(13) . . ? 
O7 Dy1 N1 139.30(12) . . ? 
O9 Dy1 N1 74.20(12) . . ? 
O8 Dy1 N1 69.31(12) . . ? 
N6 Dy1 N1 144.99(14) . . ? 
O5 Dy1 Dy2 162.47(10) . . ? 
O1 Dy1 Dy2 33.80(8) . . ? 
O4 Dy1 Dy2 34.28(8) . . ? 
O7 Dy1 Dy2 90.56(9) . . ? 
O9 Dy1 Dy2 77.60(9) . . ? 
O8 Dy1 Dy2 114.06(10) . . ? 
N6 Dy1 Dy2 98.21(10) . . ? 
N1 Dy1 Dy2 97.04(10) . . ? 
O2 Dy2 O1 139.84(12) . . ? 
O2 Dy2 O4 151.65(12) . . ? 
O1 Dy2 O4 67.94(11) . . ? 
O2 Dy2 N3 74.43(14) . . ? 
O1 Dy2 N3 65.47(13) . . ? 
O4 Dy2 N3 132.30(13) . . ? 
O2 Dy2 N4 87.17(13) . . ? 
O1 Dy2 N4 132.80(13) . . ? 
O4 Dy2 N4 64.87(13) . . ? 
N3 Dy2 N4 159.96(14) . . ? 
O2 Dy2 Cl1 94.87(10) . . ? 
O1 Dy2 Cl1 89.68(9) . . ? 
O4 Dy2 Cl1 89.86(9) . . ? 
N3 Dy2 Cl1 99.43(10) . . ? 
N4 Dy2 Cl1 89.84(10) . . ? 
O2 Dy2 Cl2 92.45(10) . . ? 
O1 Dy2 Cl2 86.65(9) . . ? 
O4 Dy2 Cl2 82.27(9) . . ? 
N3 Dy2 Cl2 85.43(10) . . ? 
N4 Dy2 Cl2 87.52(10) . . ? 
Cl1 Dy2 Cl2 172.09(5) . . ? 
O2 Dy2 Dy1 173.77(9) . . ? 
O1 Dy2 Dy1 33.99(8) . . ? 
O4 Dy2 Dy1 34.20(8) . . ? 
N3 Dy2 Dy1 99.35(11) . . ? 
N4 Dy2 Dy1 98.90(10) . . ? 
Cl1 Dy2 Dy1 86.59(4) . . ? 
Cl2 Dy2 Dy1 86.45(3) . . ? 
C1 N1 C5 119.0(5) . . ? 
C1 N1 Dy1 117.3(3) . . ? 
C5 N1 Dy1 123.6(4) . . ? 
C6 N2 N3 111.8(4) . . ? 
C7 N3 N2 113.4(4) . . ? 
C7 N3 Dy2 129.4(4) . . ? 
N2 N3 Dy2 117.2(3) . . ? 
C19 N4 C15 118.6(4) . . ? 
C19 N4 Dy2 122.0(4) . . ? 
C15 N4 Dy2 119.5(3) . . ? 
C20 N5 N6 111.8(4) . . ? 
C21 N6 N5 113.3(4) . . ? 
C21 N6 Dy1 129.6(4) . . ? 
N5 N6 Dy1 117.1(3) . . ? 
C6 O1 Dy2 118.2(3) . . ? 
C6 O1 Dy1 126.6(3) . . ? 
Dy2 O1 Dy1 112.20(13) . . ? 
C9 O2 Dy2 142.6(3) . . ? 
C10 O3 C14 116.6(4) . . ? 
C20 O4 Dy1 122.1(3) . . ? 
C20 O4 Dy2 126.3(3) . . ? 
Dy1 O4 Dy2 111.52(13) . . ? 
C23 O5 Dy1 144.5(3) . . ? 
C24 O6 C28 117.6(5) . . ? 
C29 O7 Dy1 129.2(3) . . ? 
C29 O7 H7A 115.4 . . ? 
Dy1 O7 H7A 115.4 . . ? 
C30 O8 Dy1 131.0(4) . . ? 
C30 O8 H8 114.5 . . ? 
Dy1 O8 H8 114.5 . . ? 
C31 O9 Dy1 125.8(4) . . ? 
C31 O9 H9 117.1 . . ? 
Dy1 O9 H9 117.1 . . ? 
N1 C1 C2 121.6(5) . . ? 
N1 C1 C6 116.0(5) . . ? 
C2 C1 C6 122.4(5) . . ? 
C3 C2 C1 118.2(6) . . ? 
C3 C2 H2 120.9 . . ? 
C1 C2 H2 120.9 . . ? 
C4 C3 C2 119.9(6) . . ? 
C4 C3 H3 120.1 . . ? 
C2 C3 H3 120.1 . . ? 
C5 C4 C3 118.9(6) . . ? 
C5 C4 H4 120.5 . . ? 
C3 C4 H4 120.5 . . ? 
N1 C5 C4 122.3(6) . . ? 
N1 C5 H5 118.8 . . ? 
C4 C5 H5 118.8 . . ? 
N2 C6 O1 125.0(5) . . ? 
N2 C6 C1 119.9(5) . . ? 
O1 C6 C1 115.1(5) . . ? 
N3 C7 C8 127.3(5) . . ? 
N3 C7 H7 116.3 . . ? 
C8 C7 H7 116.3 . . ? 
C9 C8 C13 118.8(5) . . ? 
C9 C8 C7 123.2(5) . . ? 
C13 C8 C7 118.0(5) . . ? 
O2 C9 C8 122.3(5) . . ? 
O2 C9 C10 118.5(5) . . ? 
C8 C9 C10 119.1(5) . . ? 
O3 C10 C11 125.2(5) . . ? 
O3 C10 C9 114.4(5) . . ? 
C11 C10 C9 120.4(6) . . ? 
C10 C11 C12 120.3(6) . . ? 
C10 C11 H11 119.9 . . ? 
C12 C11 H11 119.9 . . ? 
C13 C12 C11 120.2(6) . . ? 
C13 C12 H12 119.9 . . ? 
C11 C12 H12 119.9 . . ? 
C12 C13 C8 121.3(6) . . ? 
C12 C13 H13 119.4 . . ? 
C8 C13 H13 119.4 . . ? 
O3 C14 H14A 109.5 . . ? 
O3 C14 H14B 109.5 . . ? 
H14A C14 H14B 109.5 . . ? 
O3 C14 H14C 109.5 . . ? 
H14A C14 H14C 109.5 . . ? 
H14B C14 H14C 109.5 . . ? 
N4 C15 C16 121.6(5) . . ? 
N4 C15 C20 113.9(4) . . ? 
C16 C15 C20 124.5(5) . . ? 
C15 C16 C17 119.1(5) . . ? 
C15 C16 H16 120.5 . . ? 
C17 C16 H16 120.5 . . ? 
C18 C17 C16 119.6(5) . . ? 
C18 C17 H17 120.2 . . ? 
C16 C17 H17 120.2 . . ? 
C17 C18 C19 118.6(5) . . ? 
C17 C18 H18 120.7 . . ? 
C19 C18 H18 120.7 . . ? 
N4 C19 C18 122.7(5) . . ? 
N4 C19 H19 118.7 . . ? 
C18 C19 H19 118.7 . . ? 
N5 C20 O4 124.0(5) . . ? 
N5 C20 C15 120.7(5) . . ? 
O4 C20 C15 115.3(5) . . ? 
N6 C21 C22 125.7(5) . . ? 
N6 C21 H21 117.2 . . ? 
C22 C21 H21 117.2 . . ? 
C23 C22 C27 119.5(5) . . ? 
C23 C22 C21 123.5(5) . . ? 
C27 C22 C21 117.0(5) . . ? 
O5 C23 C22 122.7(5) . . ? 
O5 C23 C24 118.8(5) . . ? 
C22 C23 C24 118.5(5) . . ? 
C25 C24 O6 126.1(5) . . ? 
C25 C24 C23 120.6(5) . . ? 
O6 C24 C23 113.3(5) . . ? 
C24 C25 C26 120.7(5) . . ? 
C24 C25 H25 119.6 . . ? 
C26 C25 H25 119.6 . . ? 
C27 C26 C25 119.8(6) . . ? 
C27 C26 H26 120.1 . . ? 
C25 C26 H26 120.1 . . ? 
C26 C27 C22 120.9(5) . . ? 
C26 C27 H27 119.6 . . ? 
C22 C27 H27 119.6 . . ? 
O6 C28 H28A 109.5 . . ? 
O6 C28 H28B 109.5 . . ? 
H28A C28 H28B 109.5 . . ? 
O6 C28 H28C 109.5 . . ? 
H28A C28 H28C 109.5 . . ? 
H28B C28 H28C 109.5 . . ? 
O7 C29 H29A 109.5 . . ? 
O7 C29 H29B 109.5 . . ? 
H29A C29 H29B 109.5 . . ? 
O7 C29 H29C 109.5 . . ? 
H29A C29 H29C 109.5 . . ? 
H29B C29 H29C 109.5 . . ? 
O8 C30 H30A 109.5 . . ? 
O8 C30 H30B 109.5 . . ? 
H30A C30 H30B 109.5 . . ? 
O8 C30 H30C 109.5 . . ? 
H30A C30 H30C 109.5 . . ? 
H30B C30 H30C 109.5 . . ? 
O9 C31 H31A 109.5 . . ? 
O9 C31 H31B 109.5 . . ? 
H31A C31 H31B 109.5 . . ? 
O9 C31 H31C 109.5 . . ? 
H31A C31 H31C 109.5 . . ? 
H31B C31 H31C 109.5 . . ? 
N7 C32 C33 177.8(10) . . ? 
C32 C33 H33A 109.5 . . ? 
C32 C33 H33B 109.5 . . ? 
H33A C33 H33B 109.5 . . ? 
C32 C33 H33C 109.5 . . ? 
H33A C33 H33C 109.5 . . ? 
H33B C33 H33C 109.5 . . ? 
 
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 
O7 H7A N5  0.95 1.89 2.802(5) 160.4 3_656 
O8 H8 Cl2  0.95 2.32 3.190(4) 152.3 1_455 
O9 H9 Cl2  0.95 2.43 3.193(4) 136.9 . 
 
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              26.04 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.860 
_refine_diff_density_min   -0.693 
_refine_diff_density_rms    0.139 
