# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_Dy4
_database_code_depnum_ccdc_archive 'CCDC 2117123'
loop_
_audit_author_name
_audit_author_address
'Qianqian Yang'
;CIAC
China
;
_audit_update_record             
;
2021-10-21 deposited with the CCDC.	2022-01-06 downloaded from the CCDC.
;
_audit_creation_date             2020-12-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        Dy4
_chemical_formula_moiety         'C64 H58 Dy4 N12 O13 S4, 4(C H4 O), O'
_chemical_formula_sum            'C68 H76 Dy4 N12 O18 S4'
_chemical_formula_weight         2127.64
_chemical_melting_point          ?
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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   18.9036(9)
_cell_length_b                   22.8201(11)
_cell_length_c                   18.1253(9)
_cell_angle_alpha                90
_cell_angle_beta                 90.2630(10)
_cell_angle_gamma                90
_cell_volume                     7818.8(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6725
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      26.12
_cell_measurement_theta_min      2.80
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.959
_exptl_absorpt_correction_T_max  0.490
_exptl_absorpt_correction_T_min  0.471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0723 before and 0.0535 after correction. The Ratio of minimum to maximum transmission is 0.9612. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4160
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_av_unetI/netI     0.0663
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21682
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.185
_diffrn_reflns_theta_min         1.785
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           35.0
_diffrn_source_power             1.575
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6086
_reflns_number_total             7818
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2013/4 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.969
_refine_diff_density_min         -0.610
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         7818
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0378
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0300P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0821
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(O10A)=0.5*(1-FVAR(2))
 Sof(O10)=0.5*FVAR(2)
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C12(H12), C13(H13), C14(H14), C15(H15),
 C18(H18), C19(H19), C20(H20), C23(H23), C26(H26), C27(H27), C28(H28), C29(H29),
  N2(H2)
4.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C16(H16A,H16B,H16C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C)
4.c Idealised tetrahedral OH refined as rotating group:
 O8(H8A), O9(H9)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5525(4) 0.4172(3) 0.4731(3) 0.0447(17) Uani 1 1 d . . . . .
H1A H 0.5984 0.4305 0.4886 0.067 Uiso 1 1 calc R U . . .
H1B H 0.5384 0.3844 0.5028 0.067 Uiso 1 1 calc R U . . .
H1C H 0.5188 0.4484 0.4786 0.067 Uiso 1 1 calc R U . . .
C2 C 0.5804(3) 0.4409(2) 0.3463(4) 0.0334(15) Uani 1 1 d . . . . .
C3 C 0.5973(3) 0.4973(3) 0.3650(4) 0.0436(18) Uani 1 1 d . . . . .
H3 H 0.5923 0.5103 0.4133 0.052 Uiso 1 1 calc R U . . .
C4 C 0.6221(4) 0.5350(3) 0.3101(5) 0.059(2) Uani 1 1 d . . . . .
H4 H 0.6337 0.5735 0.3219 0.071 Uiso 1 1 calc R U . . .
C5 C 0.6296(4) 0.5159(3) 0.2394(4) 0.059(2) Uani 1 1 d . . . . .
H5 H 0.6466 0.5415 0.2038 0.070 Uiso 1 1 calc R U . . .
C6 C 0.6119(3) 0.4573(2) 0.2189(3) 0.0337(15) Uani 1 1 d . . . . .
C7 C 0.5868(3) 0.4190(2) 0.2738(3) 0.0297(14) Uani 1 1 d . . . . .
C8 C 0.6221(3) 0.4418(2) 0.1426(3) 0.0362(16) Uani 1 1 d . . . . .
H8 H 0.6456 0.4692 0.1136 0.043 Uiso 1 1 calc R U . . .
C9 C 0.6044(3) 0.3408(2) 0.0030(3) 0.0323(15) Uani 1 1 d . . . . .
C10 C 0.5605(3) 0.2517(2) -0.0152(3) 0.0274(13) Uani 1 1 d . . . . .
C11 C 0.5987(4) 0.2572(2) -0.0807(3) 0.0372(16) Uani 1 1 d . . . . .
C12 C 0.6013(4) 0.2123(3) -0.1325(4) 0.0461(18) Uani 1 1 d . . . . .
H12 H 0.6261 0.2167 -0.1763 0.055 Uiso 1 1 calc R U . . .
C13 C 0.5655(4) 0.1606(3) -0.1164(3) 0.0381(16) Uani 1 1 d . . . . .
H13 H 0.5651 0.1302 -0.1505 0.046 Uiso 1 1 calc R U . . .
C14 C 0.5308(3) 0.1543(2) -0.0504(3) 0.0318(15) Uani 1 1 d . . . . .
H14 H 0.5095 0.1186 -0.0397 0.038 Uiso 1 1 calc R U . . .
C15 C 0.5264(3) 0.1987(2) 0.0001(3) 0.0279(14) Uani 1 1 d . . . . .
H15 H 0.5013 0.1938 0.0437 0.034 Uiso 1 1 calc R U . . .
C16 C 0.7144(3) 0.1001(3) 0.1918(4) 0.0411(17) Uani 1 1 d . . . . .
H16A H 0.7198 0.0649 0.2203 0.062 Uiso 1 1 calc R U . . .
H16B H 0.7426 0.1307 0.2132 0.062 Uiso 1 1 calc R U . . .
H16C H 0.7294 0.0931 0.1421 0.062 Uiso 1 1 calc R U . . .
C17 C 0.5949(3) 0.0778(2) 0.1602(3) 0.0288(14) Uani 1 1 d . . . . .
C18 C 0.6143(3) 0.0234(3) 0.1342(4) 0.0436(18) Uani 1 1 d . . . . .
H18 H 0.6611 0.0113 0.1375 0.052 Uiso 1 1 calc R U . . .
C19 C 0.5644(4) -0.0129(3) 0.1035(4) 0.055(2) Uani 1 1 d . . . . .
H19 H 0.5774 -0.0499 0.0871 0.066 Uiso 1 1 calc R U . . .
C20 C 0.4959(4) 0.0050(3) 0.0969(4) 0.0480(19) Uani 1 1 d . . . . .
H20 H 0.4630 -0.0195 0.0744 0.058 Uiso 1 1 calc R U . . .
C21 C 0.4737(3) 0.0608(2) 0.1239(3) 0.0310(14) Uani 1 1 d . . . . .
C22 C 0.5248(3) 0.0983(2) 0.1547(3) 0.0241(13) Uani 1 1 d . . . . .
C23 C 0.4002(3) 0.0739(2) 0.1160(3) 0.0319(14) Uani 1 1 d . . . . .
H23 H 0.3732 0.0471 0.0893 0.038 Uiso 1 1 calc R U . . .
C24 C 0.2606(3) 0.1681(2) 0.1453(3) 0.0299(14) Uani 1 1 d . . . . .
C25 C 0.2390(3) 0.2578(2) 0.1885(3) 0.0278(14) Uani 1 1 d . . . . .
C26 C 0.2520(3) 0.3124(2) 0.2192(4) 0.0364(16) Uani 1 1 d . . . . .
H26 H 0.2961 0.3210 0.2395 0.044 Uiso 1 1 calc R U . . .
C27 C 0.1986(4) 0.3539(3) 0.2193(4) 0.0463(18) Uani 1 1 d . . . . .
H27 H 0.2067 0.3903 0.2408 0.056 Uiso 1 1 calc R U . . .
C28 C 0.1332(4) 0.3418(3) 0.1877(4) 0.051(2) Uani 1 1 d . . . . .
H28 H 0.0982 0.3704 0.1878 0.062 Uiso 1 1 calc R U . . .
C29 C 0.1197(4) 0.2879(3) 0.1563(4) 0.0472(18) Uani 1 1 d . . . . .
H29 H 0.0758 0.2795 0.1354 0.057 Uiso 1 1 calc R U . . .
C30 C 0.1737(3) 0.2467(3) 0.1568(4) 0.0377(16) Uani 1 1 d . . . . .
C31 C 0.3827(3) 0.2654(3) 0.0628(3) 0.0360(15) Uani 1 1 d . . . . .
H31A H 0.3431 0.2900 0.0743 0.054 Uiso 1 1 calc R U . . .
H31B H 0.3660 0.2276 0.0474 0.054 Uiso 1 1 calc R U . . .
H31C H 0.4097 0.2829 0.0238 0.054 Uiso 1 1 calc R U . . .
C32 C 0.3204(3) 0.2499(3) 0.3705(3) 0.0373(16) Uani 1 1 d . . . . .
H32A H 0.3315 0.2239 0.4106 0.056 Uiso 1 1 calc R U . . .
H32B H 0.2822 0.2338 0.3419 0.056 Uiso 1 1 calc R U . . .
H32C H 0.3067 0.2873 0.3898 0.056 Uiso 1 1 calc R U . . .
Dy1 Dy 0.52033(2) 0.31605(2) 0.15739(2) 0.02254(8) Uani 1 1 d . . . . .
Dy2 Dy 0.41082(2) 0.19913(2) 0.22815(2) 0.02035(8) Uani 1 1 d . . . . .
N1 N 0.6023(3) 0.39478(19) 0.1102(3) 0.0285(12) Uani 1 1 d . . . . .
N2 N 0.6221(3) 0.3907(2) 0.0360(3) 0.0344(13) Uani 1 1 d . . . . .
H2 H 0.6441 0.4184 0.0136 0.041 Uiso 1 1 calc R U . . .
N3 N 0.5619(3) 0.30091(19) 0.0304(3) 0.0279(11) Uani 1 1 d . . . . .
N4 N 0.3670(2) 0.11875(19) 0.1420(3) 0.0266(11) Uani 1 1 d . . . . .
N5 N 0.2950(3) 0.1190(2) 0.1253(3) 0.0330(12) Uani 1 1 d . . . . .
N6 N 0.2878(2) 0.21197(19) 0.1842(3) 0.0270(11) Uani 1 1 d . . . . .
O1 O 0.5000 0.25779(19) 0.2500 0.0206(12) Uani 1 2 d S T P . .
O2 O 0.5552(2) 0.39957(16) 0.3967(2) 0.0324(10) Uani 1 1 d . . . . .
O3 O 0.5684(2) 0.36464(15) 0.2604(2) 0.0298(10) Uani 1 1 d . . . . .
O4 O 0.6416(2) 0.11736(16) 0.1917(2) 0.0299(10) Uani 1 1 d . . . . .
O5 O 0.5103(2) 0.15090(15) 0.1799(2) 0.0252(9) Uani 1 1 d . . . . .
O6 O 0.4261(2) 0.25906(15) 0.1263(2) 0.0241(9) Uani 1 1 d . . . . .
O7 O 0.3806(2) 0.25663(15) 0.3253(2) 0.0269(9) Uani 1 1 d . . . . .
S1 S 0.64151(12) 0.32463(7) -0.08240(10) 0.0516(5) Uani 1 1 d . . . . .
S2 S 0.17264(9) 0.17648(8) 0.11751(11) 0.0454(4) Uani 1 1 d . . . . .
C33 C 0.2469(4) 0.4101(3) 0.0508(4) 0.054(2) Uani 1 1 d . . . . .
H33A H 0.2728 0.3739 0.0489 0.081 Uiso 1 1 calc R U . . .
H33B H 0.1971 0.4018 0.0528 0.081 Uiso 1 1 calc R U . . .
H33C H 0.2608 0.4317 0.0939 0.081 Uiso 1 1 calc R U . . .
O8 O 0.2618(2) 0.44395(17) -0.0139(2) 0.0405(11) Uani 1 1 d . . . . .
H8A H 0.2445 0.4278 -0.0501 0.061 Uiso 1 1 calc R U . . .
C34 C 0.7018(4) 0.0872(3) -0.0274(4) 0.056(2) Uani 1 1 d . . . . .
H34A H 0.7010 0.0766 -0.0786 0.084 Uiso 1 1 calc R U . . .
H34B H 0.7087 0.1287 -0.0228 0.084 Uiso 1 1 calc R U . . .
H34C H 0.6577 0.0765 -0.0051 0.084 Uiso 1 1 calc R U . . .
O9 O 0.7573(2) 0.05763(17) 0.0083(2) 0.0392(11) Uani 1 1 d . . . . .
H9 H 0.7547 0.0225 -0.0008 0.059 Uiso 1 1 calc R U . . .
O10 O 0.5000 0.6642(11) 0.2500 0.130(13) Uiso 0.46(2) 2 d S . P A 1
O10A O 0.4879(11) 0.6398(9) 0.3254(12) 0.073(9) Uiso 0.268(12) 1 d . . P A 2


_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
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 O2 1.442(7) . ?
C2 C3 1.369(8) . ?
C2 C7 1.411(8) . ?
C2 O2 1.398(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.398(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.361(10) . ?
C5 H5 0.9300 . ?
C5 C6 1.425(8) . ?
C6 C7 1.409(8) . ?
C6 C8 1.442(8) . ?
C7 O3 1.310(6) . ?
C8 H8 0.9300 . ?
C8 N1 1.279(7) . ?
C9 N2 1.329(7) . ?
C9 N3 1.314(7) . ?
C9 S1 1.741(6) . ?
C10 C11 1.398(8) . ?
C10 C15 1.397(7) . ?
C10 N3 1.395(7) . ?
C11 C12 1.390(8) . ?
C11 S1 1.739(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.391(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.376(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.368(8) . ?
C15 H15 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 O4 1.430(7) . ?
C17 C18 1.376(7) . ?
C17 C22 1.409(8) . ?
C17 O4 1.384(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.372(9) . ?
C19 H19 0.9300 . ?
C19 C20 1.362(9) . ?
C20 H20 0.9300 . ?
C20 C21 1.428(8) . ?
C21 C22 1.405(8) . ?
C21 C23 1.428(8) . ?
C22 O5 1.314(6) . ?
C23 H23 0.9300 . ?
C23 N4 1.290(7) . ?
C24 N5 1.347(7) . ?
C24 N6 1.326(7) . ?
C24 S2 1.746(6) . ?
C25 C26 1.387(8) . ?
C25 C30 1.382(8) . ?
C25 N6 1.397(7) . ?
C26 H26 0.9300 . ?
C26 C27 1.385(8) . ?
C27 H27 0.9300 . ?
C27 C28 1.387(10) . ?
C28 H28 0.9300 . ?
C28 C29 1.379(10) . ?
C29 H29 0.9300 . ?
C29 C30 1.388(8) . ?
C30 S2 1.753(7) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C31 O6 1.416(7) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C32 O7 1.413(6) . ?
Dy1 Dy1 3.4473(5) 2_655 ?
Dy1 Dy2 3.6156(4) . ?
Dy1 Dy2 3.6182(4) 2_655 ?
Dy1 N1 2.524(4) . ?
Dy1 N3 2.460(5) . ?
Dy1 O1 2.177(3) . ?
Dy1 O2 2.573(4) 2_655 ?
Dy1 O3 2.507(4) 2_655 ?
Dy1 O3 2.352(4) . ?
Dy1 O6 2.275(4) . ?
Dy1 O7 2.333(4) 2_655 ?
Dy2 Dy1 3.6181(4) 2_655 ?
Dy2 Dy2 3.4598(6) 2_655 ?
Dy2 N4 2.545(5) . ?
Dy2 N6 2.472(5) . ?
Dy2 O1 2.187(3) . ?
Dy2 O4 2.567(4) 2_655 ?
Dy2 O5 2.489(4) 2_655 ?
Dy2 O5 2.351(3) . ?
Dy2 O6 2.317(3) . ?
Dy2 O7 2.271(4) . ?
N1 N2 1.400(6) . ?
N2 H2 0.8600 . ?
N4 N5 1.393(7) . ?
O1 Dy1 2.177(3) 2_655 ?
O1 Dy2 2.187(3) 2_655 ?
O2 Dy1 2.573(4) 2_655 ?
O3 Dy1 2.507(4) 2_655 ?
O4 Dy2 2.567(4) 2_655 ?
O5 Dy2 2.489(4) 2_655 ?
O7 Dy1 2.332(4) 2_655 ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C33 O8 1.433(7) . ?
O8 H8A 0.8200 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C34 O9 1.403(8) . ?
O9 H9 0.8200 . ?

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
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C1 H1A 109.5 . . ?
O2 C1 H1B 109.5 . . ?
O2 C1 H1C 109.5 . . ?
C3 C2 C7 122.9(6) . . ?
C3 C2 O2 123.5(6) . . ?
O2 C2 C7 113.6(5) . . ?
C2 C3 H3 120.6 . . ?
C2 C3 C4 118.7(6) . . ?
C4 C3 H3 120.6 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.7(6) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.3(6) . . ?
C6 C5 H5 119.3 . . ?
C5 C6 C8 116.6(6) . . ?
C7 C6 C5 118.5(6) . . ?
C7 C6 C8 124.9(5) . . ?
C6 C7 C2 117.9(5) . . ?
O3 C7 C2 118.9(5) . . ?
O3 C7 C6 123.1(5) . . ?
C6 C8 H8 116.3 . . ?
N1 C8 C6 127.4(5) . . ?
N1 C8 H8 116.3 . . ?
N2 C9 S1 118.7(4) . . ?
N3 C9 N2 125.2(5) . . ?
N3 C9 S1 116.0(4) . . ?
C15 C10 C11 119.1(5) . . ?
N3 C10 C11 114.9(5) . . ?
N3 C10 C15 125.9(5) . . ?
C10 C11 S1 109.7(4) . . ?
C12 C11 C10 121.8(6) . . ?
C12 C11 S1 128.4(5) . . ?
C11 C12 H12 121.2 . . ?
C11 C12 C13 117.7(6) . . ?
C13 C12 H12 121.2 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.4(6) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 118.8 . . ?
C15 C14 C13 122.3(6) . . ?
C15 C14 H14 118.8 . . ?
C10 C15 H15 120.7 . . ?
C14 C15 C10 118.6(5) . . ?
C14 C15 H15 120.7 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O4 C16 H16A 109.5 . . ?
O4 C16 H16B 109.5 . . ?
O4 C16 H16C 109.5 . . ?
C18 C17 C22 121.8(6) . . ?
C18 C17 O4 124.0(5) . . ?
O4 C17 C22 114.2(5) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0(6) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.4(6) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 119.4 . . ?
C19 C20 C21 121.3(6) . . ?
C21 C20 H20 119.4 . . ?
C22 C21 C20 118.4(6) . . ?
C22 C21 C23 125.5(5) . . ?
C23 C21 C20 116.1(5) . . ?
C21 C22 C17 118.1(5) . . ?
O5 C22 C17 118.5(5) . . ?
O5 C22 C21 123.4(5) . . ?
C21 C23 H23 116.4 . . ?
N4 C23 C21 127.1(5) . . ?
N4 C23 H23 116.4 . . ?
N5 C24 S2 118.3(5) . . ?
N6 C24 N5 125.8(6) . . ?
N6 C24 S2 115.9(4) . . ?
C26 C25 N6 125.3(6) . . ?
C30 C25 C26 119.2(5) . . ?
C30 C25 N6 115.4(5) . . ?
C25 C26 H26 120.4 . . ?
C27 C26 C25 119.2(6) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 119.6 . . ?
C26 C27 C28 120.8(7) . . ?
C28 C27 H27 119.6 . . ?
C27 C28 H28 119.6 . . ?
C29 C28 C27 120.8(6) . . ?
C29 C28 H28 119.6 . . ?
C28 C29 H29 121.1 . . ?
C28 C29 C30 117.8(7) . . ?
C30 C29 H29 121.1 . . ?
C25 C30 C29 122.3(6) . . ?
C25 C30 S2 110.2(5) . . ?
C29 C30 S2 127.5(6) . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O6 C31 H31A 109.5 . . ?
O6 C31 H31B 109.5 . . ?
O6 C31 H31C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O7 C32 H32A 109.5 . . ?
O7 C32 H32B 109.5 . . ?
O7 C32 H32C 109.5 . . ?
Dy1 Dy1 Dy2 61.576(7) 2_655 . ?
Dy1 Dy1 Dy2 61.501(7) 2_655 2_655 ?
Dy2 Dy1 Dy2 57.146(9) . 2_655 ?
N1 Dy1 Dy1 118.04(11) . 2_655 ?
N1 Dy1 Dy2 119.98(11) . 2_655 ?
N1 Dy1 Dy2 177.08(11) . . ?
N1 Dy1 O2 71.56(14) . 2_655 ?
N3 Dy1 Dy1 170.00(11) . 2_655 ?
N3 Dy1 Dy2 108.51(11) . 2_655 ?
N3 Dy1 Dy2 114.46(10) . . ?
N3 Dy1 N1 65.39(15) . . ?
N3 Dy1 O2 85.77(14) . 2_655 ?
N3 Dy1 O3 146.65(14) . 2_655 ?
O1 Dy1 Dy1 37.64(9) . 2_655 ?
O1 Dy1 Dy2 34.15(5) . . ?
O1 Dy1 Dy2 34.09(5) . 2_655 ?
O1 Dy1 N1 143.80(12) . . ?
O1 Dy1 N3 133.95(14) . . ?
O1 Dy1 O2 130.30(10) . 2_655 ?
O1 Dy1 O3 72.01(11) . 2_655 ?
O1 Dy1 O3 75.20(12) . . ?
O1 Dy1 O6 72.62(10) . . ?
O1 Dy1 O7 71.67(10) . 2_655 ?
O2 Dy1 Dy1 104.21(9) 2_655 2_655 ?
O2 Dy1 Dy2 164.22(9) 2_655 2_655 ?
O2 Dy1 Dy2 111.36(9) 2_655 . ?
O3 Dy1 Dy1 46.66(9) . 2_655 ?
O3 Dy1 Dy1 43.01(9) 2_655 2_655 ?
O3 Dy1 Dy2 74.33(8) 2_655 . ?
O3 Dy1 Dy2 103.03(8) 2_655 2_655 ?
O3 Dy1 Dy2 106.63(9) . . ?
O3 Dy1 Dy2 75.85(9) . 2_655 ?
O3 Dy1 N1 107.46(13) 2_655 . ?
O3 Dy1 N1 72.42(14) . . ?
O3 Dy1 N3 133.27(14) . . ?
O3 Dy1 O2 99.52(13) . 2_655 ?
O3 Dy1 O2 61.78(12) 2_655 2_655 ?
O3 Dy1 O3 64.99(17) . 2_655 ?
O6 Dy1 Dy1 93.65(9) . 2_655 ?
O6 Dy1 Dy2 90.00(9) . 2_655 ?
O6 Dy1 Dy2 38.47(9) . . ?
O6 Dy1 N1 143.50(14) . . ?
O6 Dy1 N3 86.60(14) . . ?
O6 Dy1 O2 84.04(13) . 2_655 ?
O6 Dy1 O3 140.02(13) . . ?
O6 Dy1 O3 82.79(13) . 2_655 ?
O6 Dy1 O7 109.20(13) . 2_655 ?
O7 Dy1 Dy1 92.94(9) 2_655 2_655 ?
O7 Dy1 Dy2 37.58(9) 2_655 2_655 ?
O7 Dy1 Dy2 89.08(9) 2_655 . ?
O7 Dy1 N1 88.04(14) 2_655 . ?
O7 Dy1 N3 77.58(15) 2_655 . ?
O7 Dy1 O2 157.80(12) 2_655 2_655 ?
O7 Dy1 O3 135.75(13) 2_655 2_655 ?
O7 Dy1 O3 81.93(13) 2_655 . ?
Dy1 Dy2 Dy1 56.922(9) . 2_655 ?
Dy2 Dy2 Dy1 61.390(7) 2_655 2_655 ?
Dy2 Dy2 Dy1 61.466(7) 2_655 . ?
N4 Dy2 Dy1 119.95(10) . . ?
N4 Dy2 Dy1 176.81(10) . 2_655 ?
N4 Dy2 Dy2 117.02(10) . 2_655 ?
N4 Dy2 O4 72.44(13) . 2_655 ?
N6 Dy2 Dy1 115.64(10) . 2_655 ?
N6 Dy2 Dy1 109.73(10) . . ?
N6 Dy2 Dy2 171.14(10) . 2_655 ?
N6 Dy2 N4 65.48(15) . . ?
N6 Dy2 O4 84.46(13) . 2_655 ?
N6 Dy2 O5 145.92(13) . 2_655 ?
O1 Dy2 Dy1 33.90(5) . 2_655 ?
O1 Dy2 Dy1 33.96(5) . . ?
O1 Dy2 Dy2 37.73(9) . 2_655 ?
O1 Dy2 N4 143.17(11) . . ?
O1 Dy2 N6 135.15(14) . . ?
O1 Dy2 O4 129.91(10) . 2_655 ?
O1 Dy2 O5 74.75(12) . . ?
O1 Dy2 O5 71.96(11) . 2_655 ?
O1 Dy2 O6 71.61(10) . . ?
O1 Dy2 O7 72.70(11) . . ?
O4 Dy2 Dy1 163.81(9) 2_655 . ?
O4 Dy2 Dy1 110.49(9) 2_655 2_655 ?
O4 Dy2 Dy2 104.40(9) 2_655 2_655 ?
O5 Dy2 Dy1 102.80(8) 2_655 . ?
O5 Dy2 Dy1 75.72(9) . . ?
O5 Dy2 Dy1 74.28(8) 2_655 2_655 ?
O5 Dy2 Dy1 105.82(9) . 2_655 ?
O5 Dy2 Dy2 42.79(8) 2_655 2_655 ?
O5 Dy2 Dy2 45.99(9) . 2_655 ?
O5 Dy2 N4 106.54(13) 2_655 . ?
O5 Dy2 N4 72.09(14) . . ?
O5 Dy2 N6 133.49(14) . . ?
O5 Dy2 O4 62.03(12) 2_655 2_655 ?
O5 Dy2 O4 100.49(12) . 2_655 ?
O5 Dy2 O5 64.18(15) . 2_655 ?
O6 Dy2 Dy1 37.65(9) . . ?
O6 Dy2 Dy1 88.63(9) . 2_655 ?
O6 Dy2 Dy2 93.32(9) . 2_655 ?
O6 Dy2 N4 88.72(14) . . ?
O6 Dy2 N6 78.09(14) . . ?
O6 Dy2 O4 158.45(13) . 2_655 ?
O6 Dy2 O5 82.94(12) . . ?
O6 Dy2 O5 135.94(12) . 2_655 ?
O7 Dy2 Dy1 38.79(10) . 2_655 ?
O7 Dy2 Dy1 89.72(9) . . ?
O7 Dy2 Dy2 94.08(10) . 2_655 ?
O7 Dy2 N4 144.08(14) . . ?
O7 Dy2 N6 86.64(15) . . ?
O7 Dy2 O4 83.21(13) . 2_655 ?
O7 Dy2 O5 83.60(13) . 2_655 ?
O7 Dy2 O5 139.80(14) . . ?
O7 Dy2 O6 108.02(12) . . ?
C8 N1 Dy1 128.3(4) . . ?
C8 N1 N2 114.6(5) . . ?
N2 N1 Dy1 116.5(3) . . ?
C9 N2 N1 114.9(4) . . ?
C9 N2 H2 122.6 . . ?
N1 N2 H2 122.6 . . ?
C9 N3 C10 110.1(5) . . ?
C9 N3 Dy1 117.1(4) . . ?
C10 N3 Dy1 131.4(4) . . ?
C23 N4 Dy2 129.7(4) . . ?
C23 N4 N5 113.6(5) . . ?
N5 N4 Dy2 116.4(3) . . ?
C24 N5 N4 114.7(5) . . ?
C24 N6 C25 109.8(5) . . ?
C24 N6 Dy2 116.3(4) . . ?
C25 N6 Dy2 133.8(4) . . ?
Dy1 O1 Dy1 104.71(19) 2_655 . ?
Dy1 O1 Dy2 112.007(10) 2_655 . ?
Dy1 O1 Dy2 111.887(10) 2_655 2_655 ?
Dy1 O1 Dy2 111.886(10) . . ?
Dy1 O1 Dy2 112.010(10) . 2_655 ?
Dy2 O1 Dy2 104.53(18) . 2_655 ?
C1 O2 Dy1 123.4(3) . 2_655 ?
C2 O2 C1 116.9(4) . . ?
C2 O2 Dy1 116.2(3) . 2_655 ?
C7 O3 Dy1 134.0(4) . . ?
C7 O3 Dy1 119.1(3) . 2_655 ?
Dy1 O3 Dy1 90.33(13) . 2_655 ?
C16 O4 Dy2 124.9(3) . 2_655 ?
C17 O4 C16 115.6(4) . . ?
C17 O4 Dy2 117.4(3) . 2_655 ?
C22 O5 Dy2 136.6(3) . . ?
C22 O5 Dy2 120.7(3) . 2_655 ?
Dy2 O5 Dy2 91.22(12) . 2_655 ?
C31 O6 Dy1 126.3(3) . . ?
C31 O6 Dy2 129.3(3) . . ?
Dy1 O6 Dy2 103.88(15) . . ?
C32 O7 Dy1 129.3(3) . 2_655 ?
C32 O7 Dy2 126.4(3) . . ?
Dy2 O7 Dy1 103.62(14) . 2_655 ?
C11 S1 C9 89.0(3) . . ?
C24 S2 C30 88.5(3) . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O8 C33 H33A 109.5 . . ?
O8 C33 H33B 109.5 . . ?
O8 C33 H33C 109.5 . . ?
C33 O8 H8A 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O9 C34 H34A 109.5 . . ?
O9 C34 H34B 109.5 . . ?
O9 C34 H34C 109.5 . . ?
C34 O9 H9 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
C2 C3 C4 C5 -0.2(12) . . . . ?
C2 C7 O3 Dy1 148.4(4) . . . . ?
C2 C7 O3 Dy1 25.3(7) . . . 2_655 ?
C3 C2 C7 C6 0.3(10) . . . . ?
C3 C2 C7 O3 -179.0(6) . . . . ?
C3 C2 O2 C1 -4.9(9) . . . . ?
C3 C2 O2 Dy1 154.6(5) . . . 2_655 ?
C3 C4 C5 C6 0.5(13) . . . . ?
C4 C5 C6 C7 -0.4(11) . . . . ?
C4 C5 C6 C8 -179.9(7) . . . . ?
C5 C6 C7 C2 0.0(9) . . . . ?
C5 C6 C7 O3 179.3(6) . . . . ?
C5 C6 C8 N1 -171.1(7) . . . . ?
C6 C7 O3 Dy1 -153.9(5) . . . 2_655 ?
C6 C7 O3 Dy1 -30.9(8) . . . . ?
C6 C8 N1 Dy1 11.1(10) . . . . ?
C6 C8 N1 N2 -177.4(6) . . . . ?
C7 C2 C3 C4 -0.3(10) . . . . ?
C7 C2 O2 C1 175.3(5) . . . . ?
C7 C2 O2 Dy1 -25.2(6) . . . 2_655 ?
C7 C6 C8 N1 9.5(11) . . . . ?
C8 C6 C7 C2 179.4(6) . . . . ?
C8 C6 C7 O3 -1.3(10) . . . . ?
C8 N1 N2 C9 177.2(6) . . . . ?
C10 C11 C12 C13 -1.3(11) . . . . ?
C10 C11 S1 C9 -0.9(5) . . . . ?
C11 C10 C15 C14 -1.1(9) . . . . ?
C11 C10 N3 C9 -4.8(8) . . . . ?
C11 C10 N3 Dy1 -170.9(4) . . . . ?
C11 C12 C13 C14 -1.8(11) . . . . ?
C12 C11 S1 C9 -178.5(7) . . . . ?
C12 C13 C14 C15 3.6(10) . . . . ?
C13 C14 C15 C10 -2.1(10) . . . . ?
C15 C10 C11 C12 2.8(10) . . . . ?
C15 C10 C11 S1 -175.0(5) . . . . ?
C15 C10 N3 C9 173.5(6) . . . . ?
C15 C10 N3 Dy1 7.4(9) . . . . ?
C17 C18 C19 C20 1.5(12) . . . . ?
C17 C22 O5 Dy2 -152.6(4) . . . . ?
C17 C22 O5 Dy2 -21.0(7) . . . 2_655 ?
C18 C17 C22 C21 2.1(9) . . . . ?
C18 C17 C22 O5 -179.3(5) . . . . ?
C18 C17 O4 C16 3.9(9) . . . . ?
C18 C17 O4 Dy2 -160.7(5) . . . 2_655 ?
C18 C19 C20 C21 -2.2(12) . . . . ?
C19 C20 C21 C22 2.8(11) . . . . ?
C19 C20 C21 C23 -178.0(7) . . . . ?
C20 C21 C22 C17 -2.7(9) . . . . ?
C20 C21 C22 O5 178.8(6) . . . . ?
C20 C21 C23 N4 173.3(6) . . . . ?
C21 C22 O5 Dy2 157.6(4) . . . 2_655 ?
C21 C22 O5 Dy2 26.0(8) . . . . ?
C21 C23 N4 Dy2 -6.6(9) . . . . ?
C21 C23 N4 N5 -179.7(6) . . . . ?
C22 C17 C18 C19 -1.5(10) . . . . ?
C22 C17 O4 C16 -174.4(5) . . . . ?
C22 C17 O4 Dy2 20.9(6) . . . 2_655 ?
C22 C21 C23 N4 -7.6(11) . . . . ?
C23 C21 C22 C17 178.2(6) . . . . ?
C23 C21 C22 O5 -0.4(10) . . . . ?
C23 N4 N5 C24 -173.6(5) . . . . ?
C25 C26 C27 C28 -1.4(10) . . . . ?
C25 C30 S2 C24 -1.1(5) . . . . ?
C26 C25 C30 C29 -1.8(10) . . . . ?
C26 C25 C30 S2 176.6(4) . . . . ?
C26 C25 N6 C24 -173.8(6) . . . . ?
C26 C25 N6 Dy2 3.1(9) . . . . ?
C26 C27 C28 C29 0.8(10) . . . . ?
C27 C28 C29 C30 -0.6(10) . . . . ?
C28 C29 C30 C25 1.1(10) . . . . ?
C28 C29 C30 S2 -177.0(5) . . . . ?
C29 C30 S2 C24 177.2(6) . . . . ?
C30 C25 C26 C27 1.9(9) . . . . ?
C30 C25 N6 C24 3.9(7) . . . . ?
C30 C25 N6 Dy2 -179.2(4) . . . . ?
Dy1 N1 N2 C9 -10.3(7) . . . . ?
Dy2 N4 N5 C24 12.4(6) . . . . ?
N2 C9 N3 C10 -174.0(6) . . . . ?
N2 C9 N3 Dy1 -5.7(9) . . . . ?
N2 C9 S1 C11 176.4(6) . . . . ?
N3 C9 N2 N1 10.9(9) . . . . ?
N3 C9 S1 C11 -1.9(5) . . . . ?
N3 C10 C11 C12 -178.8(6) . . . . ?
N3 C10 C11 S1 3.4(7) . . . . ?
N3 C10 C15 C14 -179.3(6) . . . . ?
N5 C24 N6 C25 174.5(5) . . . . ?
N5 C24 N6 Dy2 -3.0(8) . . . . ?
N5 C24 S2 C30 -175.8(5) . . . . ?
N6 C24 N5 N4 -6.6(9) . . . . ?
N6 C24 S2 C30 3.5(5) . . . . ?
N6 C25 C26 C27 179.6(6) . . . . ?
N6 C25 C30 C29 -179.7(6) . . . . ?
N6 C25 C30 S2 -1.3(7) . . . . ?
O2 C2 C3 C4 -180.0(6) . . . . ?
O2 C2 C7 C6 -179.9(5) . . . . ?
O2 C2 C7 O3 0.8(8) . . . . ?
O4 C17 C18 C19 -179.7(6) . . . . ?
O4 C17 C22 C21 -179.5(5) . . . . ?
O4 C17 C22 O5 -0.9(8) . . . . ?
S1 C9 N2 N1 -167.1(4) . . . . ?
S1 C9 N3 C10 4.1(7) . . . . ?
S1 C9 N3 Dy1 172.4(3) . . . . ?
S1 C11 C12 C13 176.0(6) . . . . ?
S2 C24 N5 N4 172.7(4) . . . . ?
S2 C24 N6 C25 -4.8(6) . . . . ?
S2 C24 N6 Dy2 177.7(2) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
