# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2107249'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2021-09-03 deposited with the CCDC.	2021-09-29 downloaded from the CCDC.
;
_audit_creation_date             2021-09-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C53 H52 Cl4 Dy2 N5 O22 Zn2, 0.5(Cl O4)'
_chemical_formula_sum            'C53 H52 Cl4.50 Dy2 N5 O24 Zn2'
_chemical_formula_weight         1758.26
_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 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.58000(10)
_cell_length_b                   14.76280(10)
_cell_length_c                   19.97170(10)
_cell_angle_alpha                90.1020(10)
_cell_angle_beta                 100.5900(10)
_cell_angle_gamma                99.6450(10)
_cell_volume                     3306.76(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    56739
_cell_measurement_temperature    219.99(16)
_cell_measurement_theta_max      74.6320
_cell_measurement_theta_min      2.2470
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    15.061
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1731
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0880
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            112669
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.338
_diffrn_reflns_theta_min         2.252
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      219.99(16)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     36.00 106.00   0.50    0.50    --   47.57  28.00  81.00  140
  2  ω     94.00 120.00   0.50    2.00    --  103.25  28.00  81.00   52
  3  ω     37.00 118.00   0.50    0.50    --   47.57  38.00 150.00  162
  4  ω     48.00  74.00   0.50    0.50    --   70.00  76.00  89.18   52
  5  ω     44.00  69.00   0.50    0.50    --   66.00  78.00  48.06   50
  6  ω     38.00  65.00   0.50    0.50    --   62.00  80.00  -2.67   54
  7  ω     44.00  69.00   0.50    0.50    --   66.00  78.00 -39.18   50
  8  ω     43.00  69.00   0.50    0.50    --   66.00  78.00  21.78   52
  9  ω     44.00  69.00   0.50    0.50    --   66.00  78.00  64.67   50
 10  ω     31.00  56.00   0.50    0.50    --   54.00  80.00 106.77   50
 11  ω     34.00  60.00   0.50    0.50    --   58.00  79.00 132.45   52
 12  ω     39.00  72.00   0.50    0.50    --   62.00  79.00 154.57   66
 13  ω     15.00  40.00   0.50    0.50    --   42.00  87.00  46.01   50
 14  ω      8.00  33.00   0.50    0.50    --   38.00  92.00  91.85   50
 15  ω    -24.00   4.00   0.50    0.50    --   10.00 103.00 -23.98   56
 16  ω     -8.00  27.00   0.50    0.50    --   22.00  97.00 -85.86   70
 17  ω     15.00  40.00   0.50    0.50    --   42.00  87.00 -43.84   50
 18  ω     31.00  56.00   0.50    0.50    --   54.00  79.00 -43.65   50
 19  ω     26.00  89.00   0.50    0.50    --   50.00  80.00 -84.56  126
 20  ω     88.00 138.00   0.50    0.50    --   66.00  79.00-118.20  100
 21  ω     90.00 115.00   0.50    0.50    --   66.00  79.00-153.44   50
 22  ω     61.00  88.00   0.50    2.00    --   82.00  73.00-106.20   54
 23  ω     38.00  78.00   0.50    0.50    --   62.00  80.00-171.54   80
 24  ω     42.00  80.00   0.50    0.50    --   66.00  79.00-118.20   76
 25  ω     42.00  68.00   0.50    0.50    --   66.00  79.00-153.44   52
 26  ω     13.00  38.00   0.50    0.50    --   42.00  91.00-163.26   50
 27  ω     -8.00  25.00   0.50    0.50    --   22.00  98.00-169.27   66
 28  ω    -19.00   6.00   0.50    0.50    --   47.57 -28.00 -80.00   50
 29  ω     34.00  60.00   0.50    2.00    --  103.25 -94.00-150.00   52
 30  ω     80.00 106.00   0.50    2.00    --  103.25 -94.00-150.00   52
 31  ω     76.00 105.00   0.50    2.00    --  103.25 -94.00 -90.00   58
 32  ω     68.00  99.00   0.50    2.00    --  103.25 -94.00   0.00   62
 33  ω     47.00  73.00   0.50    2.00    --  103.25 -94.00 -90.00   52
 34  ω     45.00  72.00   0.50    2.00    --  103.25 -61.00-120.00   54
 35  ω     33.00  98.00   0.50    2.00    --  103.25 -94.00 -30.00  130
 36  ω     56.00 111.00   0.50    2.00    --  103.25-125.00  90.00  110
 37  ω     32.00 103.00   0.50    2.00    --  103.25-125.00 120.00  142
 38  ω     38.00  73.00   0.50    2.00    --  103.25 -61.00 150.00   70
 39  ω     32.00 109.00   0.50    2.00    --  103.25 -77.00  90.00  154
 40  ω     32.00  77.00   0.50    2.00    --  103.25 -77.00   0.00   90
 41  ω     33.00  59.00   0.50    2.00    --  103.25 -94.00   0.00   52
 42  ω     33.00  66.00   0.50    2.00    --  103.25 -61.00  30.00   66
 43  ω     20.00  92.00   0.50    0.50    --   47.57-125.00   0.00  144
 44  ω    -24.00  25.00   0.50    0.50    --  -47.57  28.00  81.00   98
 45  ω    -52.00 -25.00   0.50    0.50    --  -47.57 -77.00  60.00   54
 46  ω    -56.00 -30.00   0.50    0.50    --  -54.00 -79.00  18.61   52
 47  ω    -64.00 -30.00   0.50    0.50    --  -54.00 -79.00 -10.63   68
 48  ω    -80.00 -51.00   0.50    0.50    --  -47.57 -28.00 -80.00   58
 49  ω    -61.00  24.00   0.50    0.50    --  -47.57  57.00-120.00  170
 50  ω    -68.00 -42.00   0.50    2.00    --  -99.00  61.00-180.00   52
 51  ω   -112.00 -76.00   0.50    2.00    --  -99.00 125.00 -60.00   72
 52  ω    -93.00 -57.00   0.50    2.00    --  -99.00  77.00 -30.00   72
 53  ω   -125.00 -91.00   0.50    2.00    --  -99.00 144.00  51.21   68
 54  ω    -68.00 -26.00   0.50    2.00    --  -99.00 125.00 120.00   84
 55  ω    -68.00 -41.00   0.50    2.00    --  -99.00 153.00 160.36   54
 56  ω   -108.00 -45.00   0.50    2.00    --  -99.00 120.00 179.06  126
 57  ω   -112.00 -79.00   0.50    2.00    --  -99.00 125.00 120.00   66
 58  ω   -131.00 -73.00   0.50    2.00    --  -99.00 153.00 160.36  116
 59  ω    -69.00 -44.00   0.50    0.50    --    6.00 167.00 122.35   50
 60  ω   -118.00 -82.00   0.50    0.50    --  -47.57 -28.00 -80.00   72
 61  ω    -89.00 -53.00   0.50    2.00    --  -74.00 -72.00 -80.44   72
 62  ω    -60.00 -35.00   0.50    0.50    --  -58.00 -77.00-102.89   50
 63  ω    -55.00 -30.00   0.50    0.50    --  -54.00 -80.00-116.52   50
 64  ω    -61.00 -34.00   0.50    0.50    --  -58.00 -80.00-153.76   54
 65  ω    -81.00 -47.00   0.50    0.50    --  -70.00 -76.00-134.96   68
 66  ω    -83.00 -48.00   0.50    0.50    --  -70.00 -75.00 -96.42   70
 67  ω    -79.00 -52.00   0.50    2.00    --  -74.00 -74.00 -50.12   54
 68  ω    -78.00 -52.00   0.50    2.00    --  -74.00 -74.00 -25.01   52
 69  ω    -78.00 -52.00   0.50    2.00    --  -74.00 -74.00  25.20   52
 70  ω    -76.00 -50.00   0.50    2.00    --  -74.00 -80.00  15.46   52
 71  ω    -83.00 -57.00   0.50    2.00    --  -78.00 -73.00  68.63   52
 72  ω    -73.00 -47.00   0.50    0.50    --  -70.00 -76.00 130.37   52
 73  ω    -81.00 -54.00   0.50    2.00    --  -78.00 -79.00 135.43   54
 74  ω    -86.00 -60.00   0.50    2.00    --  -82.00 -75.00 167.35   52
 75  ω    -88.00 -58.00   0.50    2.00    --  -82.00 -79.00 120.80   60
 76  ω    -91.00 -65.00   0.50    2.00    --  -86.00 -72.00  70.95   52
 77  ω    -90.00 -64.00   0.50    2.00    --  -86.00 -75.00  19.19   52
 78  ω    -87.00 -61.00   0.50    2.00    --  -82.00 -73.00  -3.78   52
 79  ω    -90.00 -64.00   0.50    2.00    --  -86.00 -75.00 -16.99   52
 80  ω    -93.00 -67.00   0.50    2.00    --  -90.00 -77.00 -21.87   52
 81  ω    -86.00 -57.00   0.50    2.00    --  -78.00 -72.00 -96.74   58
 82  ω    -82.00 -56.00   0.50    2.00    --  -78.00 -74.00-150.67   52
 83  ω    -83.00 -56.00   0.50    2.00    --  -78.00 -74.00-160.99   54
 84  ω    -85.00 -60.00   0.50    2.00    --  -82.00 -75.00-178.26   50
 85  ω    -89.00 -56.00   0.50    2.00    --  -78.00 -74.00-138.94   66
 86  ω    -89.00 -60.00   0.50    2.00    --  -82.00 -74.00-103.21   58
 87  ω   -100.00 -75.00   0.50    2.00    --  -94.00 -67.00-123.44   50
 88  ω   -112.00 -76.00   0.50    2.00    --  -94.00 -65.00-139.49   72
 89  ω   -140.00 -70.00   0.50    2.00    --  -94.00 -80.00 -46.45  140
 90  ω   -103.00 -67.00   0.50    2.00    --  -90.00 -76.00   2.57   72
 91  ω    -90.00 -64.00   0.50    2.00    --  -86.00 -74.00  61.32   52
 92  ω    -93.00 -65.00   0.50    2.00    --  -86.00 -74.00 100.84   56
 93  ω    -97.00 -66.00   0.50    2.00    --  -86.00 -73.00 179.24   62
 94  ω    -96.00 -71.00   0.50    2.00    --  -94.00 -76.00 179.85   50
 95  ω   -120.00 -68.00   0.50    2.00    --  -90.00 -74.00  41.69  104
 96  ω   -120.00 -73.00   0.50    2.00    --  -94.00 -72.00 -16.13   94
 97  ω   -139.00-101.00   0.50    2.00    --  -86.00 -75.00  19.19   76
 98  ω   -158.00-110.00   0.50    2.00    --  -86.00 -74.00  61.32   96
 99  ω   -150.00-125.00   0.50    2.00    --  -90.00 -74.00  41.69   50
100  ω   -155.00-114.00   0.50    2.00    --  -90.00 -76.00   2.57   82
101  ω   -148.00 -66.00   0.50    2.00    --  -90.00 -80.00 -37.25  164
102  ω   -147.00 -71.00   0.50    2.00    --  -94.00 -77.00 -83.25  152
103  ω   -162.00-127.00   0.50    2.00    --  -99.00 -28.00 -80.00   70
104  ω   -162.00 -75.00   0.50    2.00    --  -90.00 -66.00-111.86  174
105  ω   -162.00-114.00   0.50    2.00    --  -90.00 -77.00 -21.87   96
106  ω   -158.00 -67.00   0.50    2.00    --  -90.00 -77.00  55.75  182
107  ω   -143.00-117.00   0.50    2.00    --  -94.00 -76.00 179.85   52
108  ω   -152.00 -71.00   0.50    2.00    --  -94.00 -77.00 139.35  162
109  ω   -160.00 -68.00   0.50    2.00    --  -90.00 -74.00  14.69  184
110  ω   -164.00-128.00   0.50    2.00    --  -94.00 -72.00 -16.13   72
111  ω   -168.00 -75.00   0.50    2.00    --  -99.00 -80.00 -91.10  186
112  ω   -166.00-127.00   0.50    2.00    --  -94.00 -67.00-123.44   78
113  ω   -166.00 -74.00   0.50    2.00    --  -94.00 -70.00-156.61  184
114  ω   -167.00 -71.00   0.50    2.00    --  -94.00 -77.00-135.00  192
115  ω   -168.00 -75.00   0.50    2.00    --  -99.00 -79.00 103.53  186
116  ω   -166.00 -79.00   0.50    2.00    --  -99.00 -75.00 171.75  174
117  ω   -165.00 -75.00   0.50    2.00    --  -99.00 -79.00 113.13  180
118  ω   -167.00 -79.00   0.50    2.00    --  -99.00 -70.00 157.25  176
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0681494000
_diffrn_orient_matrix_UB_12      -0.0768923000
_diffrn_orient_matrix_UB_13      0.0285357000
_diffrn_orient_matrix_UB_21      -0.1192603000
_diffrn_orient_matrix_UB_22      -0.0646169000
_diffrn_orient_matrix_UB_23      -0.0002418000
_diffrn_orient_matrix_UB_31      -0.0005495000
_diffrn_orient_matrix_UB_32      -0.0336036000
_diffrn_orient_matrix_UB_33      -0.0731489000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11192
_reflns_number_total             13098
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         2.447
_refine_diff_density_min         -1.589
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     837
_refine_ls_number_reflns         13098
_refine_ls_number_restraints     40
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0611
_refine_ls_restrained_S_all      1.032
_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)+(0.1031P)²+7.9475P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1666
_refine_ls_wR_factor_ref         0.1720
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H22 of O22, H8 of O8, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H21 of O21
2. Restrained distances
 O21-H21
 0.85 with sigma of 0.01
 O8-C32
 1.43 with sigma of 0.01
 C53-H21
 1.950919 with sigma of 0.02
 Dy2-H21
 3.11378 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O27) \\sim Ueq, Uanis(O26) \\sim Ueq, Uanis(O25) \\sim Ueq, Uanis(Cl5)
\\sim Ueq, Uanis(O24) \\sim Ueq, Uanis(C32) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.01
4. Others
 Fixed Sof: Cl5(0.5) O24(0.5) O25(0.5) O26(0.5) O27(0.5)
5.a Riding coordinates:
 O8(H8), O21(H21), O22(H22)
5.b :
 Cl5(O24,O25,O26,O27)
5.c Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C41(H41A,H41B), C42(H42A,H42B),
 C43(H43A,H43B)
5.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8A), C12(H12), C14(H14), C15(H15), C16(H16),
 C35(H35), C36(H36), C37(H37), C40(H40), C44(H44), C46(H46), C47(H47), C48(H48)
5.e Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C19(H19A,H19B,H19C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
Dy1 Dy 0.14150(3) 0.11098(2) 0.28854(2) 0.04218(12) Uani 1 1 d . . . . .
Dy2 Dy 0.52152(3) 0.66107(2) 0.24576(2) 0.04436(12) Uani 1 1 d D . . . .
Zn1 Zn -0.14185(8) 0.10577(7) 0.31994(5) 0.0568(2) Uani 1 1 d . . . . .
Zn2 Zn 0.81123(7) 0.64924(6) 0.22064(5) 0.0510(2) Uani 1 1 d . . . . .
Cl1 Cl 0.26267(19) -0.10947(14) 0.10727(8) 0.0672(5) Uani 1 1 d . . . . .
Cl2 Cl 0.39315(19) -0.12368(15) 0.43008(8) 0.0719(5) Uani 1 1 d . . . . .
Cl3 Cl 0.55019(18) 0.29977(12) 0.23549(13) 0.0763(6) Uani 1 1 d . . . . .
Cl4 Cl 0.11635(16) 0.47128(12) 0.30316(12) 0.0692(5) Uani 1 1 d . . . . .
O1 O 0.1060(6) 0.1703(3) 0.1673(2) 0.0673(14) Uani 1 1 d . . . . .
O2 O -0.0528(4) 0.1238(3) 0.2416(2) 0.0501(10) Uani 1 1 d . . . . .
O3 O 0.0277(4) 0.1058(3) 0.3704(2) 0.0467(9) Uani 1 1 d . . . . .
O4 O 0.2509(4) 0.1698(3) 0.4103(2) 0.0550(11) Uani 1 1 d . . . . .
O5 O -0.1616(5) -0.0494(4) 0.2893(3) 0.0650(13) Uani 1 1 d . . . . .
O6 O 0.0223(4) -0.0497(3) 0.2744(3) 0.0593(12) Uani 1 1 d . . . . .
O7 O -0.1214(6) -0.1638(4) 0.2393(4) 0.092(2) Uani 1 1 d . . . . .
O8 O -0.1036(7) 0.2577(4) 0.3296(4) 0.101(2) Uani 1 1 d D . . . .
H8 H -0.028667 0.270976 0.331755 0.122 Uiso 1 1 d R U . . .
O9 O 0.3216(4) 0.2017(3) 0.2726(3) 0.0525(11) Uani 1 1 d . . . . .
O10 O 0.1425(4) 0.2732(3) 0.2979(2) 0.0496(10) Uani 1 1 d . . . . .
O11 O 0.5239(4) 0.4972(3) 0.2387(2) 0.0510(10) Uani 1 1 d . . . . .
O12 O 0.3418(4) 0.5688(3) 0.2609(3) 0.0554(11) Uani 1 1 d . . . . .
O13 O 0.2152(4) 0.0182(3) 0.2136(2) 0.0515(10) Uani 1 1 d . . . . .
O14 O 0.2593(4) 0.0069(3) 0.3457(2) 0.0495(10) Uani 1 1 d . . . . .
O15 O 0.3866(4) -0.2442(3) 0.1921(2) 0.0491(10) Uani 1 1 d . . . . .
O16 O 0.4575(4) -0.2411(3) 0.3234(2) 0.0531(10) Uani 1 1 d . . . . .
O17 O 0.5521(5) 0.6074(3) 0.3677(3) 0.0644(13) Uani 1 1 d . . . . .
O18 O 0.7164(4) 0.6549(3) 0.2970(2) 0.0489(10) Uani 1 1 d . . . . .
O19 O 0.6439(4) 0.6529(3) 0.1677(2) 0.0462(9) Uani 1 1 d . . . . .
O20 O 0.4199(4) 0.6066(3) 0.1238(2) 0.0592(12) Uani 1 1 d . . . . .
O21 O 0.6262(4) 0.8205(3) 0.2339(3) 0.0596(12) Uani 1 1 d D . . . .
H21 H 0.691027 0.847575 0.259746 0.089 Uiso 1 1 d DR U . . .
O22 O 0.7748(6) 0.5047(4) 0.2198(4) 0.0826(17) Uani 1 1 d . . . . .
H22 H 0.699308 0.491449 0.214832 0.099 Uiso 1 1 d R U . . .
N1 N -0.3014(5) 0.1020(4) 0.2547(4) 0.0648(16) Uani 1 1 d . . . . .
N2 N -0.2030(5) 0.0675(4) 0.4067(3) 0.0606(15) Uani 1 1 d . . . . .
N3 N -0.0842(5) -0.0857(4) 0.2678(3) 0.0559(13) Uani 1 1 d . . . . .
N4 N 0.9662(5) 0.6680(4) 0.2901(4) 0.0650(17) Uani 1 1 d . . . . .
N5 N 0.8792(6) 0.6849(4) 0.1361(4) 0.0626(16) Uani 1 1 d . . . . .
C1 C 0.1897(10) 0.1822(7) 0.1220(5) 0.088(3) Uani 1 1 d . . . . .
H1A H 0.262107 0.162467 0.143379 0.132 Uiso 1 1 calc R U . . .
H1B H 0.206474 0.245884 0.111365 0.132 Uiso 1 1 calc R U . . .
H1C H 0.156427 0.146163 0.080752 0.132 Uiso 1 1 calc R U . . .
C2 C -0.0096(9) 0.1876(5) 0.1410(4) 0.067(2) Uani 1 1 d . . . . .
C3 C -0.0430(12) 0.2284(8) 0.0802(5) 0.100(4) Uani 1 1 d . . . . .
H3 H 0.013630 0.247928 0.053379 0.120 Uiso 1 1 calc R U . . .
C4 C -0.1570(13) 0.2404(9) 0.0588(5) 0.111(4) Uani 1 1 d . . . . .
H4 H -0.178021 0.270671 0.018741 0.133 Uiso 1 1 calc R U . . .
C5 C -0.2409(12) 0.2079(7) 0.0965(5) 0.096(3) Uani 1 1 d . . . . .
H5 H -0.320063 0.212118 0.079574 0.115 Uiso 1 1 calc R U . . .
C6 C -0.2124(8) 0.1681(5) 0.1600(4) 0.070(2) Uani 1 1 d . . . . .
C7 C -0.0919(7) 0.1600(4) 0.1831(3) 0.0578(17) Uani 1 1 d . . . . .
C8 C -0.3070(8) 0.1322(6) 0.1958(5) 0.071(2) Uani 1 1 d . . . . .
H8A H -0.383764 0.131396 0.171391 0.086 Uiso 1 1 calc R U . . .
C9 C -0.4125(7) 0.0641(6) 0.2763(6) 0.084(3) Uani 1 1 d . . . . .
H9A H -0.428795 -0.001924 0.267683 0.101 Uiso 1 1 calc R U . . .
H9B H -0.477093 0.089732 0.249398 0.101 Uiso 1 1 calc R U . . .
C10 C -0.4091(8) 0.0840(6) 0.3517(6) 0.089(3) Uani 1 1 d . . . . .
H10A H -0.489746 0.070122 0.360464 0.106 Uiso 1 1 calc R U . . .
H10B H -0.380870 0.149189 0.361439 0.106 Uiso 1 1 calc R U . . .
C11 C -0.3302(8) 0.0301(6) 0.4004(5) 0.081(3) Uani 1 1 d . . . . .
H11A H -0.351860 0.031160 0.445056 0.098 Uiso 1 1 calc R U . . .
H11B H -0.344577 -0.033521 0.384158 0.098 Uiso 1 1 calc R U . . .
C12 C -0.1397(8) 0.0778(5) 0.4667(4) 0.070(2) Uani 1 1 d . . . . .
H12 H -0.179232 0.061146 0.502514 0.084 Uiso 1 1 calc R U . . .
C13 C -0.0138(7) 0.1124(4) 0.4848(3) 0.0585(17) Uani 1 1 d . . . . .
C14 C 0.0363(10) 0.1333(6) 0.5548(4) 0.078(3) Uani 1 1 d . . . . .
H14 H -0.012926 0.123697 0.586991 0.093 Uiso 1 1 calc R U . . .
C15 C 0.1534(11) 0.1665(6) 0.5758(4) 0.087(3) Uani 1 1 d . . . . .
H15 H 0.182822 0.181416 0.621733 0.104 Uiso 1 1 calc R U . . .
C16 C 0.2306(9) 0.1789(5) 0.5297(4) 0.072(2) Uani 1 1 d . . . . .
H16 H 0.311588 0.200198 0.544399 0.087 Uiso 1 1 calc R U . . .
C17 C 0.1846(7) 0.1588(4) 0.4617(3) 0.0520(15) Uani 1 1 d . . . . .
C18 C 0.0634(7) 0.1250(4) 0.4378(3) 0.0498(15) Uani 1 1 d . . . . .
C19 C 0.3787(7) 0.1916(8) 0.4324(5) 0.086(3) Uani 1 1 d . . . . .
H19A H 0.404766 0.146633 0.463699 0.128 Uiso 1 1 calc R U . . .
H19B H 0.399601 0.251398 0.454461 0.128 Uiso 1 1 calc R U . . .
H19C H 0.416753 0.191069 0.393533 0.128 Uiso 1 1 calc R U . . .
C20 C 0.3332(6) 0.2888(4) 0.2691(3) 0.0489(14) Uani 1 1 d . . . . .
C21 C 0.4311(6) 0.3462(4) 0.2526(4) 0.0518(15) Uani 1 1 d . . . . .
C22 C 0.4372(5) 0.4403(4) 0.2511(3) 0.0454(13) Uani 1 1 d . . . . .
C23 C 0.3312(5) 0.4833(4) 0.2662(3) 0.0466(13) Uani 1 1 d . . . . .
C24 C 0.2341(6) 0.4255(4) 0.2839(4) 0.0494(14) Uani 1 1 d . . . . .
C25 C 0.2288(5) 0.3305(4) 0.2850(3) 0.0452(13) Uani 1 1 d . . . . .
C26 C 0.2662(5) -0.0468(4) 0.2357(3) 0.0447(13) Uani 1 1 d . . . . .
C27 C 0.3007(6) -0.1117(4) 0.1954(3) 0.0461(13) Uani 1 1 d . . . . .
C28 C 0.3591(5) -0.1802(4) 0.2247(3) 0.0429(12) Uani 1 1 d . . . . .
C29 C 0.3955(5) -0.1818(4) 0.3019(3) 0.0436(13) Uani 1 1 d . . . . .
C30 C 0.3576(6) -0.1194(4) 0.3422(3) 0.0457(13) Uani 1 1 d . . . . .
C31 C 0.2946(5) -0.0524(4) 0.3130(3) 0.0435(13) Uani 1 1 d . . . . .
C32 C -0.1265(15) 0.3183(11) 0.3760(8) 0.151(6) Uani 1 1 d D U . . .
H32A H -0.148742 0.371549 0.353029 0.227 Uiso 1 1 calc R U . . .
H32B H -0.056224 0.336498 0.410203 0.227 Uiso 1 1 calc R U . . .
H32C H -0.190374 0.289066 0.397220 0.227 Uiso 1 1 calc R U . . .
C33 C 0.4603(11) 0.5955(8) 0.4097(5) 0.102(4) Uani 1 1 d . . . . .
H33A H 0.485513 0.636374 0.449009 0.153 Uiso 1 1 calc R U . . .
H33B H 0.447802 0.533143 0.423953 0.153 Uiso 1 1 calc R U . . .
H33C H 0.387337 0.609175 0.383644 0.153 Uiso 1 1 calc R U . . .
C34 C 0.6671(9) 0.5973(6) 0.3983(4) 0.070(2) Uani 1 1 d . . . . .
C35 C 0.6950(14) 0.5644(9) 0.4624(6) 0.120(5) Uani 1 1 d . . . . .
H35 H 0.635207 0.546336 0.487345 0.144 Uiso 1 1 calc R U . . .
C36 C 0.8119(17) 0.5579(13) 0.4900(7) 0.156(7) Uani 1 1 d . . . . .
H36 H 0.830691 0.536313 0.533658 0.187 Uiso 1 1 calc R U . . .
C37 C 0.9009(14) 0.5834(11) 0.4527(7) 0.132(5) Uani 1 1 d . . . . .
H37 H 0.979579 0.579454 0.471240 0.158 Uiso 1 1 calc R U . . .
C38 C 0.8708(9) 0.6159(6) 0.3852(5) 0.079(2) Uani 1 1 d . . . . .
C39 C 0.7518(7) 0.6230(5) 0.3586(4) 0.0601(18) Uani 1 1 d . . . . .
C40 C 0.9702(8) 0.6464(6) 0.3517(5) 0.077(2) Uani 1 1 d . . . . .
H40 H 1.045828 0.650696 0.378496 0.092 Uiso 1 1 calc R U . . .
C41 C 1.0804(7) 0.7013(6) 0.2691(6) 0.085(3) Uani 1 1 d . . . . .
H41A H 1.143455 0.677708 0.299291 0.102 Uiso 1 1 calc R U . . .
H41B H 1.097434 0.767839 0.273455 0.102 Uiso 1 1 calc R U . . .
C42 C 1.0799(8) 0.6720(6) 0.1966(6) 0.089(3) Uani 1 1 d . . . . .
H42A H 1.161591 0.682095 0.189381 0.107 Uiso 1 1 calc R U . . .
H42B H 1.050222 0.606485 0.191086 0.107 Uiso 1 1 calc R U . . .
C43 C 1.0075(7) 0.7197(6) 0.1422(5) 0.082(3) Uani 1 1 d . . . . .
H43A H 1.023138 0.785232 0.152826 0.098 Uiso 1 1 calc R U . . .
H43B H 1.031092 0.710195 0.098874 0.098 Uiso 1 1 calc R U . . .
C44 C 0.8185(8) 0.6765(5) 0.0750(4) 0.070(2) Uani 1 1 d . . . . .
H44 H 0.861513 0.688239 0.040077 0.083 Uiso 1 1 calc R U . . .
C45 C 0.6905(8) 0.6508(5) 0.0548(4) 0.0640(19) Uani 1 1 d . . . . .
C46 C 0.6425(11) 0.6374(6) -0.0161(4) 0.084(3) Uani 1 1 d . . . . .
H46 H 0.694176 0.642230 -0.046985 0.101 Uiso 1 1 calc R U . . .
C47 C 0.5223(11) 0.6175(7) -0.0399(4) 0.089(3) Uani 1 1 d . . . . .
H47 H 0.493235 0.610746 -0.086611 0.107 Uiso 1 1 calc R U . . .
C48 C 0.4436(10) 0.6073(6) 0.0050(4) 0.079(2) Uani 1 1 d . . . . .
H48 H 0.361879 0.592953 -0.011123 0.095 Uiso 1 1 calc R U . . .
C49 C 0.4882(7) 0.6186(5) 0.0743(4) 0.0605(18) Uani 1 1 d . . . . .
C50 C 0.6110(6) 0.6405(4) 0.1008(3) 0.0503(15) Uani 1 1 d . . . . .
C51 C 0.2925(7) 0.5877(7) 0.1007(5) 0.085(3) Uani 1 1 d . . . . .
H51A H 0.253543 0.595607 0.138279 0.127 Uiso 1 1 calc R U . . .
H51B H 0.269067 0.525601 0.082841 0.127 Uiso 1 1 calc R U . . .
H51C H 0.270100 0.629289 0.065705 0.127 Uiso 1 1 calc R U . . .
C52 C 0.8050(9) 0.4417(7) 0.1774(7) 0.103(4) Uani 1 1 d . . . . .
H52A H 0.745123 0.430524 0.136721 0.154 Uiso 1 1 calc R U . . .
H52B H 0.810073 0.385122 0.200507 0.154 Uiso 1 1 calc R U . . .
H52C H 0.880623 0.465745 0.165569 0.154 Uiso 1 1 calc R U . . .
C53 C 0.6197(9) 0.8623(7) 0.1664(5) 0.090(3) Uani 1 1 d D . . . .
H53A H 0.541704 0.842814 0.139485 0.135 Uiso 1 1 calc R U . . .
H53B H 0.678294 0.843093 0.143720 0.135 Uiso 1 1 calc R U . . .
H53C H 0.635009 0.928048 0.172085 0.135 Uiso 1 1 calc R U . . .
Cl5 Cl -0.0019(6) 0.4859(4) 0.0195(3) 0.1066(19) Uani 0.5 1 d G U P A -1
O24 O -0.0125(16) 0.4372(13) -0.0457(8) 0.209(13) Uani 0.5 1 d G U P A -1
O25 O -0.1173(11) 0.4814(11) 0.0371(8) 0.138(6) Uani 0.5 1 d G U P A -1
O26 O 0.0437(13) 0.5790(8) 0.0145(9) 0.121(5) Uani 0.5 1 d G U P A -1
O27 O 0.0693(13) 0.4447(11) 0.0747(8) 0.180(9) Uani 0.5 1 d G U P A -1


_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 Zn1 3.4405(9) . ?
Dy1 O1 2.561(5) . ?
Dy1 O2 2.312(4) . ?
Dy1 O3 2.274(4) . ?
Dy1 O4 2.601(4) . ?
Dy1 O6 2.524(4) . ?
Dy1 O9 2.357(4) . ?
Dy1 O10 2.399(4) . ?
Dy1 O13 2.387(4) . ?
Dy1 O14 2.380(4) . ?
Dy2 Zn2 3.5145(9) . ?
Dy2 O11 2.428(4) . ?
Dy2 O12 2.358(4) . ?
Dy2 O15 2.381(4) 1_565 ?
Dy2 O16 2.411(4) 1_565 ?
Dy2 O17 2.543(5) . ?
Dy2 O18 2.317(4) . ?
Dy2 O19 2.308(4) . ?
Dy2 O20 2.567(5) . ?
Dy2 O21 2.494(4) . ?
Zn1 O2 2.021(4) . ?
Zn1 O3 2.035(4) . ?
Zn1 O5 2.333(5) . ?
Zn1 O8 2.213(6) . ?
Zn1 N1 2.049(6) . ?
Zn1 N2 2.036(6) . ?
Zn2 O18 2.045(4) . ?
Zn2 O19 2.039(4) . ?
Zn2 O22 2.104(6) . ?
Zn2 N4 2.035(7) . ?
Zn2 N5 2.024(6) . ?
Cl1 C27 1.736(6) . ?
Cl2 C30 1.732(6) . ?
Cl3 C21 1.726(6) . ?
Cl4 C24 1.721(6) . ?
O1 C1 1.434(9) . ?
O1 C2 1.411(10) . ?
O2 C7 1.322(8) . ?
O3 C18 1.349(7) . ?
O4 C17 1.384(9) . ?
O4 C19 1.446(9) . ?
O5 N3 1.256(7) . ?
O6 N3 1.242(7) . ?
O7 N3 1.256(8) . ?
O8 H8 0.8501 . ?
O8 C32 1.377(9) . ?
O9 C20 1.273(7) . ?
O10 C25 1.262(7) . ?
O11 C22 1.259(7) . ?
O12 C23 1.253(7) . ?
O13 C26 1.249(8) . ?
O14 C31 1.255(7) . ?
O15 C28 1.262(7) . ?
O16 C29 1.251(7) . ?
O17 C33 1.459(10) . ?
O17 C34 1.391(10) . ?
O18 C39 1.336(8) . ?
O19 C50 1.323(8) . ?
O20 C49 1.369(10) . ?
O20 C51 1.441(9) . ?
O21 H21 0.8638 . ?
O21 C53 1.478(9) . ?
O22 H22 0.8501 . ?
O22 C52 1.385(11) . ?
N1 C8 1.253(12) . ?
N1 C9 1.455(11) . ?
N2 C11 1.466(10) . ?
N2 C12 1.279(11) . ?
N4 C40 1.267(12) . ?
N4 C41 1.467(11) . ?
N5 C43 1.471(10) . ?
N5 C44 1.286(11) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.377(11) . ?
C2 C7 1.395(11) . ?
C3 H3 0.9300 . ?
C3 C4 1.353(17) . ?
C4 H4 0.9300 . ?
C4 C5 1.361(17) . ?
C5 H5 0.9300 . ?
C5 C6 1.404(12) . ?
C6 C7 1.413(11) . ?
C6 C8 1.445(14) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.525(15) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.529(15) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12 0.9300 . ?
C12 C13 1.440(12) . ?
C13 C14 1.424(11) . ?
C13 C18 1.404(10) . ?
C14 H14 0.9300 . ?
C14 C15 1.350(14) . ?
C15 H15 0.9300 . ?
C15 C16 1.389(14) . ?
C16 H16 0.9300 . ?
C16 C17 1.376(10) . ?
C17 C18 1.402(10) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.388(9) . ?
C20 C25 1.527(9) . ?
C21 C22 1.380(8) . ?
C22 C23 1.548(8) . ?
C23 C24 1.394(8) . ?
C24 C25 1.395(8) . ?
C26 C27 1.403(8) . ?
C26 C31 1.522(9) . ?
C27 C28 1.381(9) . ?
C28 C29 1.523(9) . ?
C29 C30 1.397(8) . ?
C30 C31 1.393(8) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.372(12) . ?
C34 C39 1.377(12) . ?
C35 H35 0.9300 . ?
C35 C36 1.38(2) . ?
C36 H36 0.9300 . ?
C36 C37 1.38(2) . ?
C37 H37 0.9300 . ?
C37 C38 1.433(14) . ?
C38 C39 1.404(12) . ?
C38 C40 1.444(14) . ?
C40 H40 0.9300 . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 C42 1.509(15) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C42 C43 1.499(15) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 H44 0.9300 . ?
C44 C45 1.447(12) . ?
C45 C46 1.423(12) . ?
C45 C50 1.408(10) . ?
C46 H46 0.9300 . ?
C46 C47 1.368(15) . ?
C47 H47 0.9300 . ?
C47 C48 1.383(15) . ?
C48 H48 0.9300 . ?
C48 C49 1.385(11) . ?
C49 C50 1.406(11) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
Cl5 O24 1.461(10) . ?
Cl5 O25 1.434(9) . ?
Cl5 O26 1.398(9) . ?
Cl5 O27 1.450(10) . ?

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 Zn1 97.67(14) . . ?
O1 Dy1 O4 139.00(17) . . ?
O2 Dy1 Zn1 34.58(11) . . ?
O2 Dy1 O1 63.60(17) . . ?
O2 Dy1 O4 125.05(15) . . ?
O2 Dy1 O6 72.92(16) . . ?
O2 Dy1 O9 129.60(15) . . ?
O2 Dy1 O10 77.12(15) . . ?
O2 Dy1 O13 108.96(16) . . ?
O2 Dy1 O14 142.23(15) . . ?
O3 Dy1 Zn1 34.68(11) . . ?
O3 Dy1 O1 130.20(17) . . ?
O3 Dy1 O2 69.05(15) . . ?
O3 Dy1 O4 63.35(15) . . ?
O3 Dy1 O6 76.40(15) . . ?
O3 Dy1 O9 134.49(16) . . ?
O3 Dy1 O10 82.94(15) . . ?
O3 Dy1 O13 143.64(15) . . ?
O3 Dy1 O14 92.82(15) . . ?
O4 Dy1 Zn1 95.66(11) . . ?
O6 Dy1 Zn1 68.35(11) . . ?
O6 Dy1 O1 102.80(18) . . ?
O6 Dy1 O4 118.16(17) . . ?
O9 Dy1 Zn1 147.21(10) . . ?
O9 Dy1 O1 72.83(18) . . ?
O9 Dy1 O4 75.06(16) . . ?
O9 Dy1 O6 143.81(14) . . ?
O9 Dy1 O10 66.41(14) . . ?
O9 Dy1 O13 76.28(15) . . ?
O9 Dy1 O14 87.00(15) . . ?
O10 Dy1 Zn1 80.80(10) . . ?
O10 Dy1 O1 72.66(16) . . ?
O10 Dy1 O4 71.51(15) . . ?
O10 Dy1 O6 148.10(15) . . ?
O13 Dy1 Zn1 130.87(12) . . ?
O13 Dy1 O1 69.74(16) . . ?
O13 Dy1 O4 125.52(15) . . ?
O13 Dy1 O6 68.83(15) . . ?
O13 Dy1 O10 133.04(15) . . ?
O14 Dy1 Zn1 118.75(11) . . ?
O14 Dy1 O1 134.74(16) . . ?
O14 Dy1 O4 66.93(14) . . ?
O14 Dy1 O6 70.63(16) . . ?
O14 Dy1 O10 135.17(15) . . ?
O14 Dy1 O13 66.23(14) . . ?
O11 Dy2 Zn2 76.21(10) . . ?
O11 Dy2 O17 73.66(16) . . ?
O11 Dy2 O20 73.66(16) . . ?
O11 Dy2 O21 147.65(15) . . ?
O12 Dy2 Zn2 142.42(10) . . ?
O12 Dy2 O11 66.26(14) . . ?
O12 Dy2 O15 81.54(15) . 1_565 ?
O12 Dy2 O16 79.74(16) . 1_565 ?
O12 Dy2 O17 72.55(18) . . ?
O12 Dy2 O20 76.74(18) . . ?
O12 Dy2 O21 145.81(15) . . ?
O15 Dy2 Zn2 128.97(11) 1_565 . ?
O15 Dy2 O11 133.17(15) 1_565 . ?
O15 Dy2 O16 65.65(15) 1_565 1_565 ?
O15 Dy2 O17 128.89(15) 1_565 . ?
O15 Dy2 O20 66.22(14) 1_565 . ?
O15 Dy2 O21 68.64(16) 1_565 . ?
O16 Dy2 Zn2 129.35(12) 1_565 . ?
O16 Dy2 O11 133.92(15) 1_565 . ?
O16 Dy2 O17 66.84(15) 1_565 . ?
O16 Dy2 O20 128.69(15) 1_565 . ?
O16 Dy2 O21 73.09(16) 1_565 . ?
O17 Dy2 Zn2 95.82(12) . . ?
O17 Dy2 O20 141.90(18) . . ?
O18 Dy2 Zn2 33.78(10) . . ?
O18 Dy2 O11 78.61(15) . . ?
O18 Dy2 O12 130.00(16) . . ?
O18 Dy2 O15 145.87(15) . 1_565 ?
O18 Dy2 O16 103.26(16) . 1_565 ?
O18 Dy2 O17 63.88(16) . . ?
O18 Dy2 O20 126.73(15) . . ?
O18 Dy2 O21 77.27(16) . . ?
O19 Dy2 Zn2 33.55(10) . . ?
O19 Dy2 O11 78.02(15) . . ?
O19 Dy2 O12 132.17(16) . . ?
O19 Dy2 O15 103.03(15) . 1_565 ?
O19 Dy2 O16 146.00(15) . 1_565 ?
O19 Dy2 O17 127.10(16) . . ?
O19 Dy2 O18 67.33(14) . . ?
O19 Dy2 O20 62.99(15) . . ?
O19 Dy2 O21 72.96(15) . . ?
O20 Dy2 Zn2 94.93(11) . . ?
O21 Dy2 Zn2 71.74(11) . . ?
O21 Dy2 O17 113.51(17) . . ?
O21 Dy2 O20 104.58(17) . . ?
O2 Zn1 Dy1 40.48(12) . . ?
O2 Zn1 O3 79.70(17) . . ?
O2 Zn1 O5 83.15(18) . . ?
O2 Zn1 O8 84.4(2) . . ?
O2 Zn1 N1 91.0(2) . . ?
O2 Zn1 N2 166.3(2) . . ?
O3 Zn1 Dy1 39.48(11) . . ?
O3 Zn1 O5 90.56(18) . . ?
O3 Zn1 O8 87.8(2) . . ?
O3 Zn1 N1 170.3(2) . . ?
O3 Zn1 N2 89.3(2) . . ?
O5 Zn1 Dy1 82.43(13) . . ?
O8 Zn1 Dy1 88.5(2) . . ?
O8 Zn1 O5 167.5(2) . . ?
N1 Zn1 Dy1 131.0(2) . . ?
N1 Zn1 O5 85.6(2) . . ?
N1 Zn1 O8 94.1(3) . . ?
N2 Zn1 Dy1 127.48(19) . . ?
N2 Zn1 O5 88.8(2) . . ?
N2 Zn1 O8 103.6(3) . . ?
N2 Zn1 N1 99.4(3) . . ?
O18 Zn2 Dy2 39.05(12) . . ?
O18 Zn2 O22 90.1(2) . . ?
O19 Zn2 Dy2 38.71(11) . . ?
O19 Zn2 O18 77.76(17) . . ?
O19 Zn2 O22 90.8(2) . . ?
O22 Zn2 Dy2 90.94(17) . . ?
N4 Zn2 Dy2 128.8(2) . . ?
N4 Zn2 O18 90.4(2) . . ?
N4 Zn2 O19 165.3(2) . . ?
N4 Zn2 O22 97.9(3) . . ?
N5 Zn2 Dy2 126.5(2) . . ?
N5 Zn2 O18 159.2(2) . . ?
N5 Zn2 O19 89.9(2) . . ?
N5 Zn2 O22 107.0(2) . . ?
N5 Zn2 N4 98.7(3) . . ?
C1 O1 Dy1 126.5(6) . . ?
C2 O1 Dy1 116.8(4) . . ?
C2 O1 C1 116.6(6) . . ?
Zn1 O2 Dy1 104.94(17) . . ?
C7 O2 Dy1 127.8(5) . . ?
C7 O2 Zn1 124.8(5) . . ?
Zn1 O3 Dy1 105.83(17) . . ?
C18 O3 Dy1 128.3(4) . . ?
C18 O3 Zn1 123.4(4) . . ?
C17 O4 Dy1 117.0(4) . . ?
C17 O4 C19 115.9(6) . . ?
C19 O4 Dy1 125.3(5) . . ?
N3 O5 Zn1 125.2(4) . . ?
N3 O6 Dy1 136.9(4) . . ?
Zn1 O8 H8 104.1 . . ?
C32 O8 Zn1 131.8(9) . . ?
C32 O8 H8 104.0 . . ?
C20 O9 Dy1 121.8(4) . . ?
C25 O10 Dy1 120.9(4) . . ?
C22 O11 Dy2 120.2(4) . . ?
C23 O12 Dy2 122.5(4) . . ?
C26 O13 Dy1 120.7(4) . . ?
C31 O14 Dy1 121.0(4) . . ?
C28 O15 Dy2 121.5(4) . 1_545 ?
C29 O16 Dy2 121.1(4) . 1_545 ?
C33 O17 Dy2 124.4(6) . . ?
C34 O17 Dy2 117.5(4) . . ?
C34 O17 C33 117.9(7) . . ?
Zn2 O18 Dy2 107.17(18) . . ?
C39 O18 Dy2 126.1(5) . . ?
C39 O18 Zn2 121.6(5) . . ?
Zn2 O19 Dy2 107.74(18) . . ?
C50 O19 Dy2 127.0(4) . . ?
C50 O19 Zn2 124.7(4) . . ?
C49 O20 Dy2 117.4(4) . . ?
C49 O20 C51 116.5(6) . . ?
C51 O20 Dy2 123.9(5) . . ?
Dy2 O21 H21 126.0 . . ?
C53 O21 Dy2 120.8(5) . . ?
C53 O21 H21 107.6 . . ?
Zn2 O22 H22 104.6 . . ?
C52 O22 Zn2 129.2(7) . . ?
C52 O22 H22 104.5 . . ?
C8 N1 Zn1 121.7(6) . . ?
C8 N1 C9 118.2(8) . . ?
C9 N1 Zn1 120.1(6) . . ?
C11 N2 Zn1 117.7(6) . . ?
C12 N2 Zn1 124.7(5) . . ?
C12 N2 C11 117.6(7) . . ?
O5 N3 O7 115.1(6) . . ?
O6 N3 O5 124.0(6) . . ?
O6 N3 O7 120.9(6) . . ?
C40 N4 Zn2 122.3(6) . . ?
C40 N4 C41 116.9(8) . . ?
C41 N4 Zn2 120.6(6) . . ?
C43 N5 Zn2 119.9(6) . . ?
C44 N5 Zn2 124.6(5) . . ?
C44 N5 C43 115.5(7) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 125.5(9) . . ?
C3 C2 C7 120.8(9) . . ?
C7 C2 O1 113.7(6) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.9(11) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(9) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 118.7 . . ?
C4 C5 C6 122.6(10) . . ?
C6 C5 H5 118.7 . . ?
C5 C6 C7 117.2(10) . . ?
C5 C6 C8 119.3(9) . . ?
C7 C6 C8 123.4(7) . . ?
O2 C7 C2 117.5(7) . . ?
O2 C7 C6 123.6(7) . . ?
C2 C7 C6 118.9(7) . . ?
N1 C8 C6 129.9(8) . . ?
N1 C8 H8A 115.0 . . ?
C6 C8 H8A 115.0 . . ?
N1 C9 H9A 109.0 . . ?
N1 C9 H9B 109.0 . . ?
N1 C9 C10 112.8(7) . . ?
H9A C9 H9B 107.8 . . ?
C10 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
C9 C10 H10A 108.6 . . ?
C9 C10 H10B 108.6 . . ?
C9 C10 C11 114.5(7) . . ?
H10A C10 H10B 107.6 . . ?
C11 C10 H10A 108.6 . . ?
C11 C10 H10B 108.6 . . ?
N2 C11 C10 112.4(7) . . ?
N2 C11 H11A 109.1 . . ?
N2 C11 H11B 109.1 . . ?
C10 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
H11A C11 H11B 107.9 . . ?
N2 C12 H12 116.5 . . ?
N2 C12 C13 127.1(7) . . ?
C13 C12 H12 116.5 . . ?
C14 C13 C12 118.2(7) . . ?
C18 C13 C12 124.0(6) . . ?
C18 C13 C14 117.8(8) . . ?
C13 C14 H14 119.1 . . ?
C15 C14 C13 121.7(8) . . ?
C15 C14 H14 119.1 . . ?
C14 C15 H15 119.6 . . ?
C14 C15 C16 120.9(8) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 120.7 . . ?
C17 C16 C15 118.6(8) . . ?
C17 C16 H16 120.7 . . ?
O4 C17 C18 113.2(5) . . ?
C16 C17 O4 124.5(7) . . ?
C16 C17 C18 122.3(7) . . ?
O3 C18 C13 123.6(7) . . ?
O3 C18 C17 117.7(6) . . ?
C17 C18 C13 118.7(6) . . ?
O4 C19 H19A 109.5 . . ?
O4 C19 H19B 109.5 . . ?
O4 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O9 C20 C21 125.5(6) . . ?
O9 C20 C25 115.2(5) . . ?
C21 C20 C25 119.3(5) . . ?
C20 C21 Cl3 119.6(5) . . ?
C22 C21 Cl3 118.7(5) . . ?
C22 C21 C20 121.7(6) . . ?
O11 C22 C21 125.6(6) . . ?
O11 C22 C23 114.8(5) . . ?
C21 C22 C23 119.6(5) . . ?
O12 C23 C22 115.4(5) . . ?
O12 C23 C24 126.0(6) . . ?
C24 C23 C22 118.5(5) . . ?
C23 C24 Cl4 119.8(5) . . ?
C23 C24 C25 121.3(6) . . ?
C25 C24 Cl4 118.9(5) . . ?
O10 C25 C20 115.1(5) . . ?
O10 C25 C24 125.3(6) . . ?
C24 C25 C20 119.6(5) . . ?
O13 C26 C27 125.3(6) . . ?
O13 C26 C31 115.7(5) . . ?
C27 C26 C31 119.0(5) . . ?
C26 C27 Cl1 119.5(5) . . ?
C28 C27 Cl1 119.4(5) . . ?
C28 C27 C26 121.1(6) . . ?
O15 C28 C27 124.9(6) . . ?
O15 C28 C29 115.1(5) . . ?
C27 C28 C29 120.0(5) . . ?
O16 C29 C28 115.4(5) . . ?
O16 C29 C30 125.8(6) . . ?
C30 C29 C28 118.8(5) . . ?
C29 C30 Cl2 119.3(5) . . ?
C31 C30 Cl2 119.5(5) . . ?
C31 C30 C29 121.2(6) . . ?
O14 C31 C26 115.5(5) . . ?
O14 C31 C30 124.9(6) . . ?
C30 C31 C26 119.6(5) . . ?
O8 C32 H32A 109.5 . . ?
O8 C32 H32B 109.5 . . ?
O8 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O17 C33 H33A 109.5 . . ?
O17 C33 H33B 109.5 . . ?
O17 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 O17 123.5(9) . . ?
C35 C34 C39 122.2(10) . . ?
C39 C34 O17 114.3(6) . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C36 120.2(12) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 119.9 . . ?
C37 C36 C35 120.1(10) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 120.3 . . ?
C36 C37 C38 119.4(12) . . ?
C38 C37 H37 120.3 . . ?
C37 C38 C40 115.6(10) . . ?
C39 C38 C37 119.4(11) . . ?
C39 C38 C40 124.8(8) . . ?
O18 C39 C34 118.0(7) . . ?
O18 C39 C38 123.4(8) . . ?
C34 C39 C38 118.6(7) . . ?
N4 C40 C38 127.4(8) . . ?
N4 C40 H40 116.3 . . ?
C38 C40 H40 116.3 . . ?
N4 C41 H41A 109.2 . . ?
N4 C41 H41B 109.2 . . ?
N4 C41 C42 112.2(7) . . ?
H41A C41 H41B 107.9 . . ?
C42 C41 H41A 109.2 . . ?
C42 C41 H41B 109.2 . . ?
C41 C42 H42A 108.3 . . ?
C41 C42 H42B 108.3 . . ?
H42A C42 H42B 107.4 . . ?
C43 C42 C41 116.0(7) . . ?
C43 C42 H42A 108.3 . . ?
C43 C42 H42B 108.3 . . ?
N5 C43 C42 111.3(7) . . ?
N5 C43 H43A 109.4 . . ?
N5 C43 H43B 109.4 . . ?
C42 C43 H43A 109.4 . . ?
C42 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
N5 C44 H44 116.5 . . ?
N5 C44 C45 127.1(6) . . ?
C45 C44 H44 116.5 . . ?
C46 C45 C44 117.8(7) . . ?
C50 C45 C44 123.9(7) . . ?
C50 C45 C46 118.3(8) . . ?
C45 C46 H46 119.2 . . ?
C47 C46 C45 121.6(9) . . ?
C47 C46 H46 119.2 . . ?
C46 C47 H47 119.8 . . ?
C46 C47 C48 120.3(8) . . ?
C48 C47 H47 119.8 . . ?
C47 C48 H48 120.4 . . ?
C47 C48 C49 119.1(9) . . ?
C49 C48 H48 120.4 . . ?
O20 C49 C48 124.5(8) . . ?
O20 C49 C50 113.1(6) . . ?
C48 C49 C50 122.3(8) . . ?
O19 C50 C45 124.3(7) . . ?
O19 C50 C49 117.4(6) . . ?
C49 C50 C45 118.2(7) . . ?
O20 C51 H51A 109.5 . . ?
O20 C51 H51B 109.5 . . ?
O20 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O22 C52 H52A 109.5 . . ?
O22 C52 H52B 109.5 . . ?
O22 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O21 C53 H53A 109.5 . . ?
O21 C53 H53B 109.5 . . ?
O21 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O25 Cl5 O24 110.1 . . ?
O25 Cl5 O27 106.3 . . ?
O26 Cl5 O24 110.2 . . ?
O26 Cl5 O25 106.7 . . ?
O26 Cl5 O27 111.5 . . ?
O27 Cl5 O24 111.9 . . ?

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
Dy1 O1 C2 C3 172.9(8) . . . . ?
Dy1 O1 C2 C7 -6.6(8) . . . . ?
Dy1 O2 C7 C2 5.8(8) . . . . ?
Dy1 O2 C7 C6 -177.3(5) . . . . ?
Dy1 O3 C18 C13 -174.6(4) . . . . ?
Dy1 O3 C18 C17 4.9(8) . . . . ?
Dy1 O4 C17 C16 174.3(6) . . . . ?
Dy1 O4 C17 C18 -6.0(6) . . . . ?
Dy1 O6 N3 O5 -25.6(10) . . . . ?
Dy1 O6 N3 O7 155.5(6) . . . . ?
Dy1 O9 C20 C21 -172.7(5) . . . . ?
Dy1 O9 C20 C25 7.6(8) . . . . ?
Dy1 O10 C25 C20 -4.6(7) . . . . ?
Dy1 O10 C25 C24 174.9(5) . . . . ?
Dy1 O13 C26 C27 172.4(5) . . . . ?
Dy1 O13 C26 C31 -9.2(7) . . . . ?
Dy1 O14 C31 C26 5.2(7) . . . . ?
Dy1 O14 C31 C30 -176.0(5) . . . . ?
Dy2 O11 C22 C21 -176.1(5) . . . . ?
Dy2 O11 C22 C23 3.4(8) . . . . ?
Dy2 O12 C23 C22 -9.2(8) . . . . ?
Dy2 O12 C23 C24 171.2(5) . . . . ?
Dy2 O15 C28 C27 166.9(5) 1_545 . . . ?
Dy2 O15 C28 C29 -12.8(7) 1_545 . . . ?
Dy2 O16 C29 C28 3.1(7) 1_545 . . . ?
Dy2 O16 C29 C30 -177.3(5) 1_545 . . . ?
Dy2 O17 C34 C35 -176.5(9) . . . . ?
Dy2 O17 C34 C39 3.3(9) . . . . ?
Dy2 O18 C39 C34 -5.1(9) . . . . ?
Dy2 O18 C39 C38 176.0(6) . . . . ?
Dy2 O19 C50 C45 169.3(5) . . . . ?
Dy2 O19 C50 C49 -8.5(8) . . . . ?
Dy2 O20 C49 C48 -168.9(6) . . . . ?
Dy2 O20 C49 C50 13.5(7) . . . . ?
Zn1 O2 C7 C2 165.2(5) . . . . ?
Zn1 O2 C7 C6 -17.8(8) . . . . ?
Zn1 O3 C18 C13 25.5(8) . . . . ?
Zn1 O3 C18 C17 -154.9(4) . . . . ?
Zn1 O5 N3 O6 17.1(9) . . . . ?
Zn1 O5 N3 O7 -163.9(5) . . . . ?
Zn1 N1 C8 C6 4.5(12) . . . . ?
Zn1 N1 C9 C10 35.0(9) . . . . ?
Zn1 N2 C11 C10 -42.7(8) . . . . ?
Zn1 N2 C12 C13 -4.0(11) . . . . ?
Zn2 O18 C39 C34 -156.3(6) . . . . ?
Zn2 O18 C39 C38 24.8(9) . . . . ?
Zn2 O19 C50 C45 -20.3(9) . . . . ?
Zn2 O19 C50 C49 161.9(4) . . . . ?
Zn2 N4 C40 C38 -7.3(12) . . . . ?
Zn2 N4 C41 C42 -30.1(9) . . . . ?
Zn2 N5 C43 C42 36.2(9) . . . . ?
Zn2 N5 C44 C45 7.6(12) . . . . ?
Cl1 C27 C28 O15 -1.1(9) . . . . ?
Cl1 C27 C28 C29 178.7(4) . . . . ?
Cl2 C30 C31 O14 -0.5(9) . . . . ?
Cl2 C30 C31 C26 178.3(4) . . . . ?
Cl3 C21 C22 O11 -0.7(10) . . . . ?
Cl3 C21 C22 C23 180.0(5) . . . . ?
Cl4 C24 C25 O10 1.4(10) . . . . ?
Cl4 C24 C25 C20 -179.1(5) . . . . ?
O1 C2 C3 C4 178.7(10) . . . . ?
O1 C2 C7 O2 1.4(9) . . . . ?
O1 C2 C7 C6 -175.7(6) . . . . ?
O4 C17 C18 O3 1.6(8) . . . . ?
O4 C17 C18 C13 -178.8(5) . . . . ?
O9 C20 C21 Cl3 -0.5(10) . . . . ?
O9 C20 C21 C22 -178.9(7) . . . . ?
O9 C20 C25 O10 -1.8(9) . . . . ?
O9 C20 C25 C24 178.7(6) . . . . ?
O11 C22 C23 O12 3.6(9) . . . . ?
O11 C22 C23 C24 -176.7(6) . . . . ?
O12 C23 C24 Cl4 -1.9(11) . . . . ?
O12 C23 C24 C25 176.7(7) . . . . ?
O13 C26 C27 Cl1 -4.7(9) . . . . ?
O13 C26 C27 C28 178.7(6) . . . . ?
O13 C26 C31 O14 2.7(8) . . . . ?
O13 C26 C31 C30 -176.3(6) . . . . ?
O15 C28 C29 O16 6.2(8) . . . . ?
O15 C28 C29 C30 -173.4(5) . . . . ?
O16 C29 C30 Cl2 -2.2(9) . . . . ?
O16 C29 C30 C31 176.1(6) . . . . ?
O17 C34 C35 C36 -178.8(13) . . . . ?
O17 C34 C39 O18 0.6(10) . . . . ?
O17 C34 C39 C38 179.6(7) . . . . ?
O20 C49 C50 O19 -4.6(9) . . . . ?
O20 C49 C50 C45 177.5(6) . . . . ?
N1 C9 C10 C11 -71.5(10) . . . . ?
N2 C12 C13 C14 169.5(7) . . . . ?
N2 C12 C13 C18 -11.9(12) . . . . ?
N4 C41 C42 C43 72.2(9) . . . . ?
N5 C44 C45 C46 -174.3(8) . . . . ?
N5 C44 C45 C50 7.2(13) . . . . ?
C1 O1 C2 C3 -10.9(12) . . . . ?
C1 O1 C2 C7 169.7(7) . . . . ?
C2 C3 C4 C5 -3.1(18) . . . . ?
C3 C2 C7 O2 -178.1(8) . . . . ?
C3 C2 C7 C6 4.8(12) . . . . ?
C3 C4 C5 C6 5.1(18) . . . . ?
C4 C5 C6 C7 -2.0(14) . . . . ?
C4 C5 C6 C8 -177.8(10) . . . . ?
C5 C6 C7 O2 -179.8(7) . . . . ?
C5 C6 C7 C2 -2.8(10) . . . . ?
C5 C6 C8 N1 -172.8(9) . . . . ?
C7 C2 C3 C4 -1.8(16) . . . . ?
C7 C6 C8 N1 11.7(13) . . . . ?
C8 N1 C9 C10 -144.6(8) . . . . ?
C8 C6 C7 O2 -4.2(11) . . . . ?
C8 C6 C7 C2 172.7(7) . . . . ?
C9 N1 C8 C6 -176.0(8) . . . . ?
C9 C10 C11 N2 76.7(9) . . . . ?
C11 N2 C12 C13 179.5(7) . . . . ?
C12 N2 C11 C10 134.1(8) . . . . ?
C12 C13 C14 C15 -179.5(8) . . . . ?
C12 C13 C18 O3 -0.1(10) . . . . ?
C12 C13 C18 C17 -179.7(6) . . . . ?
C13 C14 C15 C16 -2.2(14) . . . . ?
C14 C13 C18 O3 178.4(6) . . . . ?
C14 C13 C18 C17 -1.1(9) . . . . ?
C14 C15 C16 C17 1.8(13) . . . . ?
C15 C16 C17 O4 178.5(7) . . . . ?
C15 C16 C17 C18 -1.1(11) . . . . ?
C16 C17 C18 O3 -178.7(6) . . . . ?
C16 C17 C18 C13 0.9(10) . . . . ?
C18 C13 C14 C15 1.8(12) . . . . ?
C19 O4 C17 C16 9.0(10) . . . . ?
C19 O4 C17 C18 -171.3(7) . . . . ?
C20 C21 C22 O11 177.7(7) . . . . ?
C20 C21 C22 C23 -1.7(11) . . . . ?
C21 C20 C25 O10 178.4(6) . . . . ?
C21 C20 C25 C24 -1.1(10) . . . . ?
C21 C22 C23 O12 -177.0(6) . . . . ?
C21 C22 C23 C24 2.7(10) . . . . ?
C22 C23 C24 Cl4 178.4(5) . . . . ?
C22 C23 C24 C25 -3.0(10) . . . . ?
C23 C24 C25 O10 -177.2(7) . . . . ?
C23 C24 C25 C20 2.3(10) . . . . ?
C25 C20 C21 Cl3 179.3(5) . . . . ?
C25 C20 C21 C22 0.9(11) . . . . ?
C26 C27 C28 O15 175.5(6) . . . . ?
C26 C27 C28 C29 -4.7(9) . . . . ?
C27 C26 C31 O14 -178.8(5) . . . . ?
C27 C26 C31 C30 2.2(8) . . . . ?
C27 C28 C29 O16 -173.6(6) . . . . ?
C27 C28 C29 C30 6.9(8) . . . . ?
C28 C29 C30 Cl2 177.3(4) . . . . ?
C28 C29 C30 C31 -4.3(9) . . . . ?
C29 C30 C31 O14 -178.8(6) . . . . ?
C29 C30 C31 C26 0.0(9) . . . . ?
C31 C26 C27 Cl1 176.9(4) . . . . ?
C31 C26 C27 C28 0.3(9) . . . . ?
C33 O17 C34 C35 9.5(13) . . . . ?
C33 O17 C34 C39 -170.7(7) . . . . ?
C34 C35 C36 C37 -1(3) . . . . ?
C35 C34 C39 O18 -179.6(9) . . . . ?
C35 C34 C39 C38 -0.6(14) . . . . ?
C35 C36 C37 C38 0(3) . . . . ?
C36 C37 C38 C39 1(2) . . . . ?
C36 C37 C38 C40 176.3(14) . . . . ?
C37 C38 C39 O18 178.2(10) . . . . ?
C37 C38 C39 C34 -0.7(14) . . . . ?
C37 C38 C40 N4 171.3(10) . . . . ?
C39 C34 C35 C36 1(2) . . . . ?
C39 C38 C40 N4 -13.9(15) . . . . ?
C40 N4 C41 C42 145.6(8) . . . . ?
C40 C38 C39 O18 3.6(14) . . . . ?
C40 C38 C39 C34 -175.3(8) . . . . ?
C41 N4 C40 C38 177.1(8) . . . . ?
C41 C42 C43 N5 -75.8(9) . . . . ?
C43 N5 C44 C45 -175.0(8) . . . . ?
C44 N5 C43 C42 -141.4(8) . . . . ?
C44 C45 C46 C47 -176.7(8) . . . . ?
C44 C45 C50 O19 -0.2(11) . . . . ?
C44 C45 C50 C49 177.6(7) . . . . ?
C45 C46 C47 C48 -1.8(15) . . . . ?
C46 C45 C50 O19 -178.6(7) . . . . ?
C46 C45 C50 C49 -0.8(10) . . . . ?
C46 C47 C48 C49 0.8(14) . . . . ?
C47 C48 C49 O20 -177.2(8) . . . . ?
C47 C48 C49 C50 0.2(12) . . . . ?
C48 C49 C50 O19 177.8(7) . . . . ?
C48 C49 C50 C45 -0.2(10) . . . . ?
C50 C45 C46 C47 1.8(13) . . . . ?
C51 O20 C49 C48 -4.9(11) . . . . ?
C51 O20 C49 C50 177.5(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.113 0.000 0.000 295.9 68.4 ?
2 0.325 0.668 0.533 69.6 15.1 ?
3 0.675 0.332 0.467 69.6 12.7 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.456
_oxdiff_exptl_absorpt_empirical_full_min 0.489
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2107250'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2021-09-03 deposited with the CCDC.	2021-09-29 downloaded from the CCDC.
;
_audit_creation_date             2021-09-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C53 H52 Br4 Dy2 N5 O22 Zn2, 0.5(Cl O4)'
_chemical_formula_sum            'C53 H52 Br4 Cl0.50 Dy2 N5 O24 Zn2'
_chemical_formula_weight         1936.10
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOBrZnDy
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'
Cl Cl 0.1484 0.1585 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.5601(2)
_cell_length_b                   14.8370(3)
_cell_length_c                   20.0015(5)
_cell_angle_alpha                89.624(2)
_cell_angle_beta                 80.033(2)
_cell_angle_gamma                79.843(2)
_cell_volume                     3324.86(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    32301
_cell_measurement_temperature    169.9(5)
_cell_measurement_theta_max      33.2380
_cell_measurement_theta_min      1.7040
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.437
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.934
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1875
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0854
_diffrn_reflns_av_unetI/netI     0.1198
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.937
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            180466
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         42.292
_diffrn_reflns_theta_min         1.716
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169.9(5)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -105.00  65.00   0.50    6.00    --  -20.00  45.00   0.00  340
  2  ω   -105.00  65.00   0.50    6.00    --  -20.00  45.00  90.00  340
  3  ω   -105.00  65.00   0.50    6.00    --  -20.00  45.00 180.00  340
  4  ω    -97.00  73.00   0.50    6.00    --   -8.00  45.00 270.00  340
  5  ω   -125.00  45.00   0.50    6.00    --  -40.00  45.00   0.00  340
  6  ω   -125.00  45.00   0.50    6.00    --  -40.00  45.00  45.00  340
  7  ω   -125.00  45.00   0.50    6.00    --  -40.00  45.00 135.00  340
  8  ω   -125.00  45.00   0.50    6.00    --  -40.00  45.00 205.00  340
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0204413000
_diffrn_orient_matrix_UB_12      0.0017006000
_diffrn_orient_matrix_UB_13      -0.0315167000
_diffrn_orient_matrix_UB_21      0.0530234000
_diffrn_orient_matrix_UB_22      0.0146891000
_diffrn_orient_matrix_UB_23      -0.0159036000
_diffrn_orient_matrix_UB_31      0.0279029000
_diffrn_orient_matrix_UB_32      -0.0462771000
_diffrn_orient_matrix_UB_33      -0.0071406000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                22907
_reflns_number_total             44285
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         4.487
_refine_diff_density_min         -1.554
_refine_diff_density_rms         0.207
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     846
_refine_ls_number_reflns         44285
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.1646
_refine_ls_R_factor_gt           0.0821
_refine_ls_restrained_S_all      1.021
_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)+(0.0600P)²+9.0706P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1518
_refine_ls_wR_factor_ref         0.1755
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O17-H17
 0.85 with sigma of 0.01
 O18-H18
 0.85 with sigma of 0.01
 O22-H22
 0.85 with sigma of 0.01
 C88-H17
 1.890315 with sigma of 0.02
 Zn2-H17
 2.7107 with sigma of 0.02
 C87-H18
 1.919971 with sigma of 0.02
 Dy2-H18
 3.114065 with sigma of 0.02
 C89-H22
 1.867615 with sigma of 0.02
 Zn1-H22
 2.780913 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O25) \\sim Ueq, Uanis(Cl1) \\sim Ueq, Uanis(O27) \\sim Ueq, Uanis(O26)
\\sim Ueq, Uanis(O28) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.01
4. Others
 Fixed Sof: Cl1(0.5) O25(0.5) O26(0.5) O27(0.5) O28(0.5)
5.a :
 Cl1(O25,O26,O27,O28)
5.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C28(H28A,H28B), C29(H29A,H29B),
 C30(H30A,H30B)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C12(H12), C14(H14), C15(H15), C16(H16),
 C22(H22A), C23(H23), C24(H24), C27(H27), C31(H31), C33(H33), C34(H34), C35(H35)
5.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C38(H38A,H38B,
 H38C), C87(H87A,H87B,H87C), C88(H88A,H88B,H88C), C89(H89A,H89B,H89C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
Dy1 Dy 0.14447(2) 0.89517(2) 0.21379(2) 0.02137(4) Uani 1 1 d . . . . .
Dy2 Dy 0.52496(2) 0.34179(2) 0.25078(2) 0.02701(5) Uani 1 1 d D . . . .
Br1 Br 0.56768(5) 0.70443(3) 0.26269(4) 0.04773(15) Uani 1 1 d . . . . .
Br2 Br 0.10240(4) 0.53413(3) 0.19838(3) 0.03805(11) Uani 1 1 d . . . . .
Br3 Br 0.27039(5) 1.11232(4) 0.39992(2) 0.03765(11) Uani 1 1 d . . . . .
Br4 Br 0.38812(5) 1.13077(5) 0.06318(3) 0.05070(15) Uani 1 1 d . . . . .
Zn1 Zn -0.13873(4) 0.90501(4) 0.18105(3) 0.02736(10) Uani 1 1 d D . . . .
Zn2 Zn 0.81445(4) 0.35098(3) 0.27986(3) 0.02477(10) Uani 1 1 d D . . . .
O1 O 0.5586(3) 0.3928(2) 0.13113(18) 0.0380(8) Uani 1 1 d . . . . .
O2 O 0.7227(3) 0.3442(2) 0.20269(14) 0.0252(6) Uani 1 1 d . . . . .
O3 O 0.6454(2) 0.3491(2) 0.33082(15) 0.0246(6) Uani 1 1 d . . . . .
O4 O 0.4205(3) 0.3994(2) 0.37133(18) 0.0360(8) Uani 1 1 d . . . . .
O5 O 0.1080(3) 0.8357(2) 0.33435(17) 0.0345(7) Uani 1 1 d . . . . .
O6 O -0.0499(3) 0.8866(2) 0.26053(15) 0.0263(6) Uani 1 1 d . . . . .
O7 O 0.0314(2) 0.9001(2) 0.13126(15) 0.0248(6) Uani 1 1 d . . . . .
O8 O 0.2539(3) 0.8327(2) 0.09415(17) 0.0299(6) Uani 1 1 d . . . . .
O9 O 0.5292(3) 0.50420(19) 0.25685(18) 0.0292(6) Uani 1 1 d . . . . .
O10 O 0.3449(3) 0.4361(2) 0.2344(2) 0.0369(8) Uani 1 1 d . . . . .
O11 O 0.3239(3) 0.80140(19) 0.22980(17) 0.0285(6) Uani 1 1 d . . . . .
O12 O 0.1411(3) 0.7336(2) 0.20592(17) 0.0279(6) Uani 1 1 d . . . . .
O13 O 0.2216(3) 0.9858(2) 0.28733(16) 0.0272(6) Uani 1 1 d . . . . .
O14 O 0.2611(3) 0.9968(2) 0.15597(16) 0.0272(6) Uani 1 1 d . . . . .
O15 O 0.3891(3) 1.2495(2) 0.30541(16) 0.0277(6) Uani 1 1 d . . . . .
O16 O 0.4566(3) 1.2452(2) 0.17524(17) 0.0289(6) Uani 1 1 d . . . . .
O17 O 0.7782(3) 0.4965(2) 0.28036(19) 0.0341(7) Uani 1 1 d D . . . .
H17 H 0.719(3) 0.5260(13) 0.265(2) 0.051 Uiso 1 1 d D U . . .
O18 O 0.6276(3) 0.1818(2) 0.26484(17) 0.0306(6) Uani 1 1 d D . . . .
H18 H 0.693(3) 0.155(2) 0.2396(13) 0.046 Uiso 1 1 d D U . . .
O19 O 0.0272(3) 1.0550(2) 0.22485(18) 0.0317(7) Uani 1 1 d . . . . .
O20 O -0.1555(3) 1.0566(2) 0.20791(17) 0.0307(6) Uani 1 1 d . . . . .
O21 O -0.1151(3) 1.1662(2) 0.2638(2) 0.0506(11) Uani 1 1 d . . . . .
O22 O -0.1031(3) 0.7525(2) 0.1726(2) 0.0456(9) Uani 1 1 d D . . . .
H22 H -0.053(5) 0.7194(13) 0.194(3) 0.068 Uiso 1 1 d D U . . .
N1 N 0.9711(3) 0.3324(3) 0.2121(2) 0.0340(9) Uani 1 1 d . . . . .
N2 N 0.8786(3) 0.3151(3) 0.3667(2) 0.0323(8) Uani 1 1 d . . . . .
N3 N -0.2981(3) 0.9078(3) 0.2454(2) 0.0321(8) Uani 1 1 d . . . . .
N4 N -0.2009(3) 0.9396(3) 0.0935(2) 0.0333(8) Uani 1 1 d . . . . .
N5 N -0.0802(3) 1.0926(2) 0.23225(19) 0.0249(7) Uani 1 1 d . . . . .
C1 C 0.4656(8) 0.4076(6) 0.0875(4) 0.078(2) Uani 1 1 d . . . . .
H1A H 0.391130 0.397177 0.113243 0.117 Uiso 1 1 calc R U . . .
H1B H 0.488929 0.365724 0.049192 0.117 Uiso 1 1 calc R U . . .
H1C H 0.456569 0.469325 0.071965 0.117 Uiso 1 1 calc R U . . .
C2 C 0.6728(5) 0.4016(4) 0.1006(3) 0.0426(12) Uani 1 1 d . . . . .
C3 C 0.7040(8) 0.4298(7) 0.0352(4) 0.082(3) Uani 1 1 d . . . . .
H3 H 0.646181 0.444814 0.007949 0.098 Uiso 1 1 calc R U . . .
C4 C 0.8225(9) 0.4356(8) 0.0101(4) 0.108(4) Uani 1 1 d . . . . .
H4 H 0.843141 0.456344 -0.033554 0.129 Uiso 1 1 calc R U . . .
C5 C 0.9075(8) 0.4115(6) 0.0484(4) 0.079(3) Uani 1 1 d . . . . .
H5 H 0.986497 0.414253 0.030413 0.095 Uiso 1 1 calc R U . . .
C6 C 0.8783(5) 0.3823(4) 0.1152(3) 0.0444(12) Uani 1 1 d . . . . .
C7 C 0.7587(4) 0.3765(3) 0.1420(2) 0.0332(9) Uani 1 1 d . . . . .
C8 C 0.9770(5) 0.3532(4) 0.1510(3) 0.0444(13) Uani 1 1 d . . . . .
H8 H 1.053229 0.349661 0.125664 0.053 Uiso 1 1 calc R U . . .
C9 C 1.0846(4) 0.2985(4) 0.2358(3) 0.0440(13) Uani 1 1 d . . . . .
H9A H 1.148543 0.321339 0.206519 0.053 Uiso 1 1 calc R U . . .
H9B H 1.101445 0.232159 0.231999 0.053 Uiso 1 1 calc R U . . .
C10 C 1.0829(4) 0.3272(4) 0.3082(4) 0.0524(17) Uani 1 1 d . . . . .
H10A H 1.164188 0.315971 0.316758 0.063 Uiso 1 1 calc R U . . .
H10B H 1.053695 0.392636 0.313299 0.063 Uiso 1 1 calc R U . . .
C11 C 1.0080(4) 0.2798(4) 0.3612(3) 0.0454(13) Uani 1 1 d . . . . .
H11A H 1.023614 0.214679 0.350207 0.055 Uiso 1 1 calc R U . . .
H11B H 1.031235 0.287642 0.404866 0.055 Uiso 1 1 calc R U . . .
C12 C 0.8172(5) 0.3236(3) 0.4254(3) 0.0394(11) Uani 1 1 d . . . . .
H12 H 0.859320 0.311413 0.461020 0.047 Uiso 1 1 calc R U . . .
C13 C 0.6883(5) 0.3500(3) 0.4446(2) 0.0364(10) Uani 1 1 d . . . . .
C14 C 0.6400(7) 0.3619(4) 0.5145(3) 0.0527(16) Uani 1 1 d . . . . .
H14 H 0.690898 0.355563 0.546181 0.063 Uiso 1 1 calc R U . . .
C15 C 0.5193(7) 0.3825(5) 0.5360(3) 0.0610(18) Uani 1 1 d . . . . .
H15 H 0.489078 0.388045 0.582316 0.073 Uiso 1 1 calc R U . . .
C16 C 0.4418(6) 0.3953(4) 0.4904(3) 0.0519(15) Uani 1 1 d . . . . .
H16 H 0.359839 0.410049 0.505571 0.062 Uiso 1 1 calc R U . . .
C17 C 0.4871(4) 0.3859(3) 0.4221(3) 0.0366(10) Uani 1 1 d . . . . .
C18 C 0.6107(4) 0.3617(3) 0.3974(2) 0.0277(8) Uani 1 1 d . . . . .
C19 C 0.2927(4) 0.4188(4) 0.3939(3) 0.0536(17) Uani 1 1 d . . . . .
H19A H 0.253385 0.425197 0.355109 0.080 Uiso 1 1 calc R U . . .
H19B H 0.271274 0.474560 0.420651 0.080 Uiso 1 1 calc R U . . .
H19C H 0.268432 0.369312 0.420791 0.080 Uiso 1 1 calc R U . . .
C20 C 0.1935(5) 0.8197(4) 0.3795(3) 0.0479(14) Uani 1 1 d . . . . .
H20A H 0.215369 0.755099 0.385422 0.072 Uiso 1 1 calc R U . . .
H20B H 0.158933 0.849320 0.422627 0.072 Uiso 1 1 calc R U . . .
H20C H 0.263221 0.844203 0.360405 0.072 Uiso 1 1 calc R U . . .
C21 C -0.0042(5) 0.8161(3) 0.3587(2) 0.0342(10) Uani 1 1 d . . . . .
C22 C -0.0349(6) 0.7706(4) 0.4183(3) 0.0449(12) Uani 1 1 d . . . . .
H22A H 0.022570 0.748360 0.444445 0.054 Uiso 1 1 calc R U . . .
C23 C -0.1525(6) 0.7586(4) 0.4385(3) 0.0524(15) Uani 1 1 d . . . . .
H23 H -0.173388 0.726863 0.477737 0.063 Uiso 1 1 calc R U . . .
C24 C -0.2369(5) 0.7933(4) 0.4011(3) 0.0442(13) Uani 1 1 d . . . . .
H24 H -0.315854 0.787501 0.416375 0.053 Uiso 1 1 calc R U . . .
C25 C -0.2073(4) 0.8379(3) 0.3394(2) 0.0337(10) Uani 1 1 d . . . . .
C26 C -0.0879(4) 0.8475(3) 0.3176(2) 0.0264(8) Uani 1 1 d . . . . .
C27 C -0.3055(4) 0.8755(3) 0.3049(3) 0.0357(10) Uani 1 1 d . . . . .
H27 H -0.382106 0.876018 0.328945 0.043 Uiso 1 1 calc R U . . .
C28 C -0.4110(4) 0.9463(3) 0.2224(3) 0.0403(12) Uani 1 1 d . . . . .
H28A H -0.428292 1.011968 0.230995 0.048 Uiso 1 1 calc R U . . .
H28B H -0.475375 0.920302 0.248602 0.048 Uiso 1 1 calc R U . . .
C29 C -0.4063(4) 0.9272(4) 0.1474(3) 0.0448(14) Uani 1 1 d . . . . .
H29A H -0.378088 0.862180 0.138130 0.054 Uiso 1 1 calc R U . . .
H29B H -0.486749 0.941615 0.137673 0.054 Uiso 1 1 calc R U . . .
C30 C -0.3276(4) 0.9797(3) 0.0998(3) 0.0405(12) Uani 1 1 d . . . . .
H30A H -0.350417 0.980593 0.055359 0.049 Uiso 1 1 calc R U . . .
H30B H -0.340032 1.042577 0.116490 0.049 Uiso 1 1 calc R U . . .
C31 C -0.1374(4) 0.9271(3) 0.0340(2) 0.0326(9) Uani 1 1 d . . . . .
H31 H -0.176230 0.943732 -0.002461 0.039 Uiso 1 1 calc R U . . .
C32 C -0.0111(4) 0.8897(3) 0.0179(2) 0.0306(9) Uani 1 1 d . . . . .
C33 C 0.0357(5) 0.8660(3) -0.0511(2) 0.0375(11) Uani 1 1 d . . . . .
H33 H -0.014741 0.873935 -0.082978 0.045 Uiso 1 1 calc R U . . .
C34 C 0.1545(6) 0.8316(4) -0.0712(2) 0.0444(13) Uani 1 1 d . . . . .
H34 H 0.184147 0.817088 -0.116871 0.053 Uiso 1 1 calc R U . . .
C35 C 0.2308(5) 0.8180(3) -0.0246(3) 0.0389(11) Uani 1 1 d . . . . .
H35 H 0.311057 0.793095 -0.038457 0.047 Uiso 1 1 calc R U . . .
C36 C 0.1870(4) 0.8418(3) 0.0424(2) 0.0272(8) Uani 1 1 d . . . . .
C37 C 0.0661(4) 0.8778(3) 0.0653(2) 0.0245(7) Uani 1 1 d . . . . .
C38 C 0.3808(4) 0.8107(5) 0.0728(3) 0.0506(14) Uani 1 1 d . . . . .
H38A H 0.405767 0.853101 0.039257 0.076 Uiso 1 1 calc R U . . .
H38B H 0.401985 0.749593 0.053723 0.076 Uiso 1 1 calc R U . . .
H38C H 0.419470 0.814638 0.111199 0.076 Uiso 1 1 calc R U . . .
C39 C 0.4352(4) 0.6567(3) 0.2460(3) 0.0296(9) Uani 1 1 d . . . . .
C40 C 0.4419(3) 0.5619(3) 0.2458(2) 0.0247(8) Uani 1 1 d . . . . .
C41 C 0.3343(4) 0.5218(3) 0.2317(2) 0.0278(8) Uani 1 1 d . . . . .
C42 C 0.2339(3) 0.5816(3) 0.2174(2) 0.0264(8) Uani 1 1 d . . . . .
C43 C 0.2282(3) 0.6759(3) 0.2173(2) 0.0223(7) Uani 1 1 d . . . . .
C44 C 0.3357(3) 0.7154(3) 0.2316(2) 0.0252(8) Uani 1 1 d . . . . .
C45 C 0.2714(3) 1.0509(3) 0.2654(2) 0.0221(7) Uani 1 1 d . . . . .
C46 C 0.3061(3) 1.1163(3) 0.3043(2) 0.0234(7) Uani 1 1 d . . . . .
C47 C 0.3618(3) 1.1851(3) 0.2747(2) 0.0219(7) Uani 1 1 d . . . . .
C48 C 0.3953(3) 1.1864(3) 0.1970(2) 0.0244(8) Uani 1 1 d . . . . .
C49 C 0.3553(4) 1.1253(3) 0.1580(2) 0.0263(8) Uani 1 1 d . . . . .
C50 C 0.2961(3) 1.0571(3) 0.1877(2) 0.0224(7) Uani 1 1 d . . . . .
C87 C 0.6251(5) 0.1414(3) 0.3309(3) 0.0394(11) Uani 1 1 d D . . . .
H87A H 0.644944 0.075887 0.325572 0.059 Uiso 1 1 calc R U . . .
H87B H 0.546691 0.158202 0.357401 0.059 Uiso 1 1 calc R U . . .
H87C H 0.682059 0.163100 0.353454 0.059 Uiso 1 1 calc R U . . .
C88 C 0.8075(5) 0.5546(4) 0.3291(3) 0.0456(13) Uani 1 1 d D . . . .
H88A H 0.812167 0.613773 0.310239 0.068 Uiso 1 1 calc R U . . .
H88B H 0.883119 0.528173 0.340875 0.068 Uiso 1 1 calc R U . . .
H88C H 0.746995 0.560936 0.369106 0.068 Uiso 1 1 calc R U . . .
C89 C -0.1262(7) 0.6957(5) 0.1223(4) 0.070(2) Uani 1 1 d D . . . .
H89A H -0.058713 0.685063 0.085981 0.105 Uiso 1 1 calc R U . . .
H89B H -0.195448 0.724909 0.104920 0.105 Uiso 1 1 calc R U . . .
H89C H -0.140029 0.638280 0.141510 0.105 Uiso 1 1 calc R U . . .
Cl1 Cl 0.0050(5) 0.4956(5) 0.5090(3) 0.0511(11) Uani 0.5 1 d G U P A -1
O25 O 0.1176(7) 0.4834(7) 0.5273(5) 0.077(3) Uani 0.5 1 d G U P A -1
O26 O -0.0659(8) 0.4448(7) 0.5494(7) 0.127(5) Uani 0.5 1 d G U P A -1
O27 O 0.0135(11) 0.4655(11) 0.4453(5) 0.167(7) Uani 0.5 1 d G U P A -1
O28 O -0.0530(8) 0.5856(6) 0.5180(6) 0.085(3) Uani 0.5 1 d G U P A -1


_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 Zn1 3.4264(5) . ?
Dy1 O5 2.554(3) . ?
Dy1 O6 2.304(3) . ?
Dy1 O7 2.269(3) . ?
Dy1 O8 2.599(3) . ?
Dy1 O11 2.356(3) . ?
Dy1 O12 2.411(3) . ?
Dy1 O13 2.381(3) . ?
Dy1 O14 2.362(3) . ?
Dy1 O19 2.506(3) . ?
Dy2 Zn2 3.5203(5) . ?
Dy2 O1 2.492(3) . ?
Dy2 O2 2.328(3) . ?
Dy2 O3 2.311(3) . ?
Dy2 O4 2.580(3) . ?
Dy2 O9 2.423(3) . ?
Dy2 O10 2.367(3) . ?
Dy2 O15 2.384(3) 1_545 ?
Dy2 O16 2.409(3) 1_545 ?
Dy2 O18 2.497(3) . ?
Br1 C39 1.877(4) . ?
Br2 C42 1.880(4) . ?
Br3 C46 1.888(4) . ?
Br4 C49 1.873(4) . ?
Zn1 O6 2.029(3) . ?
Zn1 O7 2.034(3) . ?
Zn1 O20 2.283(3) . ?
Zn1 O22 2.230(4) . ?
Zn1 N3 2.051(4) . ?
Zn1 N4 2.034(4) . ?
Zn2 O2 2.031(3) . ?
Zn2 O3 2.046(3) . ?
Zn2 O17 2.126(3) . ?
Zn2 N1 2.042(4) . ?
Zn2 N2 2.035(4) . ?
O1 C1 1.485(7) . ?
O1 C2 1.383(7) . ?
O2 C7 1.328(5) . ?
O3 C18 1.328(5) . ?
O4 C17 1.371(7) . ?
O4 C19 1.446(5) . ?
O5 C20 1.439(5) . ?
O5 C21 1.384(6) . ?
O6 C26 1.319(5) . ?
O7 C37 1.337(5) . ?
O8 C36 1.388(5) . ?
O8 C38 1.433(6) . ?
O9 C40 1.253(5) . ?
O10 C41 1.257(5) . ?
O11 C44 1.261(5) . ?
O12 C43 1.254(5) . ?
O13 C45 1.250(5) . ?
O14 C50 1.261(5) . ?
O15 C47 1.254(5) . ?
O16 C48 1.249(5) . ?
O17 H17 0.854(9) . ?
O17 C88 1.427(6) . ?
O18 H18 0.863(9) . ?
O18 C87 1.444(6) . ?
O19 N5 1.252(4) . ?
O20 N5 1.262(4) . ?
O21 N5 1.232(5) . ?
O22 H22 0.858(9) . ?
O22 C89 1.406(7) . ?
N1 C8 1.252(7) . ?
N1 C9 1.476(6) . ?
N2 C11 1.481(6) . ?
N2 C12 1.258(7) . ?
N3 C27 1.276(7) . ?
N3 C28 1.476(6) . ?
N4 C30 1.465(6) . ?
N4 C31 1.283(6) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.377(8) . ?
C2 C7 1.401(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.393(12) . ?
C4 H4 0.9300 . ?
C4 C5 1.346(12) . ?
C5 H5 0.9300 . ?
C5 C6 1.406(8) . ?
C6 C7 1.411(7) . ?
C6 C8 1.451(8) . ?
C8 H8 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.508(9) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.502(9) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12 0.9300 . ?
C12 C13 1.456(8) . ?
C13 C14 1.413(7) . ?
C13 C18 1.400(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.368(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.376(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.374(7) . ?
C17 C18 1.412(6) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.390(7) . ?
C21 C26 1.393(6) . ?
C22 H22A 0.9300 . ?
C22 C23 1.392(9) . ?
C23 H23 0.9300 . ?
C23 C24 1.359(9) . ?
C24 H24 0.9300 . ?
C24 C25 1.414(7) . ?
C25 C26 1.406(6) . ?
C25 C27 1.455(7) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.518(8) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.511(8) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 H31 0.9300 . ?
C31 C32 1.448(7) . ?
C32 C33 1.413(6) . ?
C32 C37 1.401(6) . ?
C33 H33 0.9300 . ?
C33 C34 1.369(8) . ?
C34 H34 0.9300 . ?
C34 C35 1.382(8) . ?
C35 H35 0.9300 . ?
C35 C36 1.373(6) . ?
C36 C37 1.403(6) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 C40 1.394(6) . ?
C39 C44 1.387(5) . ?
C40 C41 1.538(5) . ?
C41 C42 1.402(6) . ?
C42 C43 1.388(6) . ?
C43 C44 1.533(5) . ?
C45 C46 1.401(5) . ?
C45 C50 1.536(6) . ?
C46 C47 1.378(6) . ?
C47 C48 1.536(6) . ?
C48 C49 1.387(6) . ?
C49 C50 1.393(6) . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
Cl1 O25 1.393(6) . ?
Cl1 O26 1.368(6) . ?
Cl1 O27 1.334(5) . ?
Cl1 O28 1.383(6) . ?

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 Zn1 97.49(7) . . ?
O5 Dy1 O8 137.73(11) . . ?
O6 Dy1 Zn1 35.01(7) . . ?
O6 Dy1 O5 63.14(10) . . ?
O6 Dy1 O8 125.68(10) . . ?
O6 Dy1 O11 129.86(10) . . ?
O6 Dy1 O12 77.15(10) . . ?
O6 Dy1 O13 108.84(11) . . ?
O6 Dy1 O14 141.33(10) . . ?
O6 Dy1 O19 72.33(10) . . ?
O7 Dy1 Zn1 34.92(7) . . ?
O7 Dy1 O5 129.81(10) . . ?
O7 Dy1 O6 69.68(10) . . ?
O7 Dy1 O8 63.34(10) . . ?
O7 Dy1 O11 133.00(11) . . ?
O7 Dy1 O12 82.03(10) . . ?
O7 Dy1 O13 144.41(10) . . ?
O7 Dy1 O14 92.27(10) . . ?
O7 Dy1 O19 76.48(11) . . ?
O8 Dy1 Zn1 95.99(7) . . ?
O11 Dy1 Zn1 146.87(7) . . ?
O11 Dy1 O5 73.34(11) . . ?
O11 Dy1 O8 73.59(11) . . ?
O11 Dy1 O12 66.40(9) . . ?
O11 Dy1 O13 76.70(10) . . ?
O11 Dy1 O14 87.70(11) . . ?
O11 Dy1 O19 144.97(10) . . ?
O12 Dy1 Zn1 80.46(7) . . ?
O12 Dy1 O5 72.07(11) . . ?
O12 Dy1 O8 71.00(11) . . ?
O12 Dy1 O19 147.22(10) . . ?
O13 Dy1 Zn1 131.24(7) . . ?
O13 Dy1 O5 70.57(10) . . ?
O13 Dy1 O8 125.13(10) . . ?
O13 Dy1 O12 133.27(10) . . ?
O13 Dy1 O19 69.70(10) . . ?
O14 Dy1 Zn1 117.82(8) . . ?
O14 Dy1 O5 135.89(10) . . ?
O14 Dy1 O8 67.35(10) . . ?
O14 Dy1 O12 135.70(11) . . ?
O14 Dy1 O13 66.39(10) . . ?
O14 Dy1 O19 70.24(10) . . ?
O19 Dy1 Zn1 67.73(7) . . ?
O19 Dy1 O5 103.55(12) . . ?
O19 Dy1 O8 118.63(11) . . ?
O1 Dy2 Zn2 95.74(8) . . ?
O1 Dy2 O4 141.54(12) . . ?
O1 Dy2 O18 113.14(12) . . ?
O2 Dy2 Zn2 33.37(7) . . ?
O2 Dy2 O1 64.38(11) . . ?
O2 Dy2 O4 126.35(10) . . ?
O2 Dy2 O9 78.97(10) . . ?
O2 Dy2 O10 131.27(11) . . ?
O2 Dy2 O15 145.10(10) . 1_545 ?
O2 Dy2 O16 104.94(10) . 1_545 ?
O2 Dy2 O18 76.72(10) . . ?
O3 Dy2 Zn2 33.64(7) . . ?
O3 Dy2 O1 127.15(10) . . ?
O3 Dy2 O2 67.01(10) . . ?
O3 Dy2 O4 62.91(10) . . ?
O3 Dy2 O9 77.79(10) . . ?
O3 Dy2 O10 131.28(11) . . ?
O3 Dy2 O15 101.92(10) . 1_545 ?
O3 Dy2 O16 146.46(10) . 1_545 ?
O3 Dy2 O18 73.30(10) . . ?
O4 Dy2 Zn2 94.83(7) . . ?
O9 Dy2 Zn2 75.94(7) . . ?
O9 Dy2 O1 73.91(11) . . ?
O9 Dy2 O4 73.05(11) . . ?
O9 Dy2 O18 147.69(10) . . ?
O10 Dy2 Zn2 142.20(7) . . ?
O10 Dy2 O1 73.58(13) . . ?
O10 Dy2 O4 75.49(13) . . ?
O10 Dy2 O9 66.27(10) . . ?
O10 Dy2 O15 81.65(11) . 1_545 ?
O10 Dy2 O16 79.47(11) . 1_545 ?
O10 Dy2 O18 145.69(10) . . ?
O15 Dy2 Zn2 128.15(7) 1_545 . ?
O15 Dy2 O1 129.96(10) 1_545 . ?
O15 Dy2 O4 65.86(10) 1_545 . ?
O15 Dy2 O9 132.89(10) 1_545 . ?
O15 Dy2 O16 65.23(10) 1_545 1_545 ?
O15 Dy2 O18 68.38(10) 1_545 . ?
O16 Dy2 Zn2 130.84(7) 1_545 . ?
O16 Dy2 O1 67.87(10) 1_545 . ?
O16 Dy2 O4 127.38(10) 1_545 . ?
O16 Dy2 O9 134.34(10) 1_545 . ?
O16 Dy2 O18 73.16(10) 1_545 . ?
O18 Dy2 Zn2 72.03(7) . . ?
O18 Dy2 O4 105.30(12) . . ?
O6 Zn1 Dy1 40.67(8) . . ?
O6 Zn1 O7 80.04(12) . . ?
O6 Zn1 O20 83.51(12) . . ?
O6 Zn1 O22 84.91(13) . . ?
O6 Zn1 N3 90.58(15) . . ?
O6 Zn1 N4 167.78(14) . . ?
O7 Zn1 Dy1 39.68(8) . . ?
O7 Zn1 O20 91.16(12) . . ?
O7 Zn1 O22 87.01(14) . . ?
O7 Zn1 N3 170.61(14) . . ?
O20 Zn1 Dy1 82.77(8) . . ?
O22 Zn1 Dy1 88.57(10) . . ?
O22 Zn1 O20 168.43(13) . . ?
N3 Zn1 Dy1 130.95(12) . . ?
N3 Zn1 O20 87.36(13) . . ?
N3 Zn1 O22 92.58(15) . . ?
N4 Zn1 Dy1 128.40(12) . . ?
N4 Zn1 O7 89.93(14) . . ?
N4 Zn1 O20 89.79(13) . . ?
N4 Zn1 O22 101.63(15) . . ?
N4 Zn1 N3 99.34(17) . . ?
O2 Zn2 Dy2 39.10(8) . . ?
O2 Zn2 O3 77.83(11) . . ?
O2 Zn2 O17 91.27(12) . . ?
O2 Zn2 N1 90.15(15) . . ?
O2 Zn2 N2 158.26(14) . . ?
O3 Zn2 Dy2 38.73(8) . . ?
O3 Zn2 O17 90.49(13) . . ?
O17 Zn2 Dy2 91.03(8) . . ?
N1 Zn2 Dy2 128.84(12) . . ?
N1 Zn2 O3 165.68(14) . . ?
N1 Zn2 O17 97.63(15) . . ?
N2 Zn2 Dy2 125.91(12) . . ?
N2 Zn2 O3 89.23(14) . . ?
N2 Zn2 O17 106.41(14) . . ?
N2 Zn2 N1 99.68(17) . . ?
C1 O1 Dy2 124.3(4) . . ?
C2 O1 Dy2 119.0(3) . . ?
C2 O1 C1 116.5(5) . . ?
Zn2 O2 Dy2 107.53(12) . . ?
C7 O2 Dy2 125.1(3) . . ?
C7 O2 Zn2 121.2(3) . . ?
Zn2 O3 Dy2 107.63(12) . . ?
C18 O3 Dy2 127.0(3) . . ?
C18 O3 Zn2 124.9(3) . . ?
C17 O4 Dy2 117.3(3) . . ?
C17 O4 C19 115.2(4) . . ?
C19 O4 Dy2 124.8(3) . . ?
C20 O5 Dy1 126.2(3) . . ?
C21 O5 Dy1 117.2(3) . . ?
C21 O5 C20 116.7(4) . . ?
Zn1 O6 Dy1 104.32(12) . . ?
C26 O6 Dy1 127.5(3) . . ?
C26 O6 Zn1 124.4(3) . . ?
Zn1 O7 Dy1 105.41(12) . . ?
C37 O7 Dy1 128.7(2) . . ?
C37 O7 Zn1 123.2(2) . . ?
C36 O8 Dy1 116.8(2) . . ?
C36 O8 C38 115.6(4) . . ?
C38 O8 Dy1 125.7(3) . . ?
C40 O9 Dy2 120.5(2) . . ?
C41 O10 Dy2 122.0(3) . . ?
C44 O11 Dy1 122.3(2) . . ?
C43 O12 Dy1 120.3(2) . . ?
C45 O13 Dy1 121.2(3) . . ?
C50 O14 Dy1 121.3(3) . . ?
C47 O15 Dy2 121.9(3) . 1_565 ?
C48 O16 Dy2 121.8(3) . 1_565 ?
Zn2 O17 H17 121.7(16) . . ?
C88 O17 Zn2 124.9(3) . . ?
C88 O17 H17 107.9(16) . . ?
Dy2 O18 H18 124.8(16) . . ?
C87 O18 Dy2 121.7(3) . . ?
C87 O18 H18 106.6(15) . . ?
N5 O19 Dy1 137.3(3) . . ?
N5 O20 Zn1 126.0(2) . . ?
Zn1 O22 H22 122.1(15) . . ?
C89 O22 Zn1 128.8(4) . . ?
C89 O22 H22 106.8(15) . . ?
C8 N1 Zn2 123.0(4) . . ?
C8 N1 C9 117.3(4) . . ?
C9 N1 Zn2 119.6(4) . . ?
C11 N2 Zn2 118.1(4) . . ?
C12 N2 Zn2 124.9(3) . . ?
C12 N2 C11 116.9(4) . . ?
C27 N3 Zn1 122.9(3) . . ?
C27 N3 C28 117.3(4) . . ?
C28 N3 Zn1 119.8(3) . . ?
C30 N4 Zn1 117.0(3) . . ?
C31 N4 Zn1 124.5(3) . . ?
C31 N4 C30 118.5(4) . . ?
O19 N5 O20 121.4(3) . . ?
O21 N5 O19 120.4(4) . . ?
O21 N5 O20 118.2(4) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C7 113.6(4) . . ?
C3 C2 O1 125.1(5) . . ?
C3 C2 C7 121.2(6) . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.7(7) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.7(7) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.9(7) . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C7 119.5(6) . . ?
C5 C6 C8 116.6(6) . . ?
C7 C6 C8 123.8(5) . . ?
O2 C7 C2 117.5(4) . . ?
O2 C7 C6 124.4(5) . . ?
C2 C7 C6 118.0(5) . . ?
N1 C8 C6 127.3(5) . . ?
N1 C8 H8 116.4 . . ?
C6 C8 H8 116.4 . . ?
N1 C9 H9A 109.0 . . ?
N1 C9 H9B 109.0 . . ?
N1 C9 C10 113.0(4) . . ?
H9A C9 H9B 107.8 . . ?
C10 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
C9 C10 H10A 108.5 . . ?
C9 C10 H10B 108.5 . . ?
H10A C10 H10B 107.5 . . ?
C11 C10 C9 115.3(4) . . ?
C11 C10 H10A 108.5 . . ?
C11 C10 H10B 108.5 . . ?
N2 C11 C10 112.7(4) . . ?
N2 C11 H11A 109.0 . . ?
N2 C11 H11B 109.0 . . ?
C10 C11 H11A 109.0 . . ?
C10 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
N2 C12 H12 116.0 . . ?
N2 C12 C13 128.1(4) . . ?
C13 C12 H12 116.0 . . ?
C14 C13 C12 117.7(5) . . ?
C18 C13 C12 123.2(4) . . ?
C18 C13 C14 119.0(5) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(6) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.2(5) . . ?
C16 C15 H15 119.4 . . ?
C15 C16 H16 120.5 . . ?
C17 C16 C15 119.0(6) . . ?
C17 C16 H16 120.5 . . ?
O4 C17 C16 125.1(5) . . ?
O4 C17 C18 112.9(4) . . ?
C16 C17 C18 122.0(5) . . ?
O3 C18 C13 124.3(4) . . ?
O3 C18 C17 117.6(4) . . ?
C13 C18 C17 118.1(4) . . ?
O4 C19 H19A 109.5 . . ?
O4 C19 H19B 109.5 . . ?
O4 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O5 C20 H20A 109.5 . . ?
O5 C20 H20B 109.5 . . ?
O5 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O5 C21 C22 125.1(5) . . ?
O5 C21 C26 113.5(4) . . ?
C22 C21 C26 121.3(5) . . ?
C21 C22 H22A 120.3 . . ?
C21 C22 C23 119.4(5) . . ?
C23 C22 H22A 120.3 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.1(5) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 119.2 . . ?
C23 C24 C25 121.5(5) . . ?
C25 C24 H24 119.2 . . ?
C24 C25 C27 116.8(5) . . ?
C26 C25 C24 118.6(5) . . ?
C26 C25 C27 124.5(4) . . ?
O6 C26 C21 117.3(4) . . ?
O6 C26 C25 123.8(4) . . ?
C21 C26 C25 118.9(4) . . ?
N3 C27 C25 127.1(4) . . ?
N3 C27 H27 116.4 . . ?
C25 C27 H27 116.4 . . ?
N3 C28 H28A 109.1 . . ?
N3 C28 H28B 109.1 . . ?
N3 C28 C29 112.5(4) . . ?
H28A C28 H28B 107.8 . . ?
C29 C28 H28A 109.1 . . ?
C29 C28 H28B 109.1 . . ?
C28 C29 H29A 108.5 . . ?
C28 C29 H29B 108.5 . . ?
H29A C29 H29B 107.5 . . ?
C30 C29 C28 114.9(4) . . ?
C30 C29 H29A 108.5 . . ?
C30 C29 H29B 108.5 . . ?
N4 C30 C29 112.2(4) . . ?
N4 C30 H30A 109.2 . . ?
N4 C30 H30B 109.2 . . ?
C29 C30 H30A 109.2 . . ?
C29 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
N4 C31 H31 116.8 . . ?
N4 C31 C32 126.4(4) . . ?
C32 C31 H31 116.8 . . ?
C33 C32 C31 116.5(4) . . ?
C37 C32 C31 124.5(4) . . ?
C37 C32 C33 119.0(4) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.6(5) . . ?
C34 C33 H33 119.7 . . ?
C33 C34 H34 119.6 . . ?
C33 C34 C35 120.8(5) . . ?
C35 C34 H34 119.6 . . ?
C34 C35 H35 120.3 . . ?
C36 C35 C34 119.3(5) . . ?
C36 C35 H35 120.3 . . ?
O8 C36 C37 113.0(4) . . ?
C35 C36 O8 125.2(4) . . ?
C35 C36 C37 121.9(4) . . ?
O7 C37 C32 123.7(4) . . ?
O7 C37 C36 117.9(4) . . ?
C32 C37 C36 118.4(4) . . ?
O8 C38 H38A 109.5 . . ?
O8 C38 H38B 109.5 . . ?
O8 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 Br1 118.5(3) . . ?
C44 C39 Br1 119.8(3) . . ?
C44 C39 C40 121.7(4) . . ?
O9 C40 C39 125.7(4) . . ?
O9 C40 C41 115.2(3) . . ?
C39 C40 C41 119.1(3) . . ?
O10 C41 C40 115.7(3) . . ?
O10 C41 C42 125.4(4) . . ?
C42 C41 C40 118.9(4) . . ?
C41 C42 Br2 119.7(3) . . ?
C43 C42 Br2 118.7(3) . . ?
C43 C42 C41 121.7(4) . . ?
O12 C43 C42 125.3(4) . . ?
O12 C43 C44 115.6(3) . . ?
C42 C43 C44 119.1(3) . . ?
O11 C44 C39 125.3(4) . . ?
O11 C44 C43 115.2(3) . . ?
C39 C44 C43 119.5(3) . . ?
O13 C45 C46 126.6(4) . . ?
O13 C45 C50 114.8(3) . . ?
C46 C45 C50 118.6(3) . . ?
C45 C46 Br3 118.9(3) . . ?
C47 C46 Br3 119.3(3) . . ?
C47 C46 C45 121.7(4) . . ?
O15 C47 C46 126.0(4) . . ?
O15 C47 C48 114.6(3) . . ?
C46 C47 C48 119.4(3) . . ?
O16 C48 C47 114.6(4) . . ?
O16 C48 C49 126.4(4) . . ?
C49 C48 C47 119.0(4) . . ?
C48 C49 Br4 119.3(3) . . ?
C48 C49 C50 121.5(4) . . ?
C50 C49 Br4 119.1(3) . . ?
O14 C50 C45 115.2(3) . . ?
O14 C50 C49 125.5(4) . . ?
C49 C50 C45 119.3(3) . . ?
O18 C87 H87A 109.5 . . ?
O18 C87 H87B 109.5 . . ?
O18 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
O17 C88 H88A 109.5 . . ?
O17 C88 H88B 109.5 . . ?
O17 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O22 C89 H89A 109.5 . . ?
O22 C89 H89B 109.5 . . ?
O22 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
O26 Cl1 O25 110.1 . . ?
O26 Cl1 O28 106.2 . . ?
O27 Cl1 O25 110.2 . . ?
O27 Cl1 O26 106.7 . . ?
O27 Cl1 O28 111.4 . . ?
O28 Cl1 O25 111.9 . . ?

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
Dy1 O5 C21 C22 169.8(4) . . . . ?
Dy1 O5 C21 C26 -10.9(5) . . . . ?
Dy1 O6 C26 C21 7.6(6) . . . . ?
Dy1 O6 C26 C25 -173.8(3) . . . . ?
Dy1 O7 C37 C32 -175.4(3) . . . . ?
Dy1 O7 C37 C36 3.6(5) . . . . ?
Dy1 O8 C36 C35 175.9(4) . . . . ?
Dy1 O8 C36 C37 -4.7(4) . . . . ?
Dy1 O11 C44 C39 -174.8(4) . . . . ?
Dy1 O11 C44 C43 4.4(5) . . . . ?
Dy1 O12 C43 C42 176.8(3) . . . . ?
Dy1 O12 C43 C44 -3.5(5) . . . . ?
Dy1 O13 C45 C46 171.0(3) . . . . ?
Dy1 O13 C45 C50 -9.3(4) . . . . ?
Dy1 O14 C50 C45 7.6(4) . . . . ?
Dy1 O14 C50 C49 -173.6(3) . . . . ?
Dy1 O19 N5 O20 -31.2(6) . . . . ?
Dy1 O19 N5 O21 148.8(4) . . . . ?
Dy2 O1 C2 C3 -179.4(6) . . . . ?
Dy2 O1 C2 C7 2.3(6) . . . . ?
Dy2 O2 C7 C2 -7.5(6) . . . . ?
Dy2 O2 C7 C6 176.2(4) . . . . ?
Dy2 O3 C18 C13 168.6(3) . . . . ?
Dy2 O3 C18 C17 -9.5(5) . . . . ?
Dy2 O4 C17 C16 -166.6(4) . . . . ?
Dy2 O4 C17 C18 14.2(5) . . . . ?
Dy2 O9 C40 C39 -178.2(4) . . . . ?
Dy2 O9 C40 C41 2.5(5) . . . . ?
Dy2 O10 C41 C40 -5.1(6) . . . . ?
Dy2 O10 C41 C42 175.2(4) . . . . ?
Dy2 O15 C47 C46 164.9(3) 1_565 . . . ?
Dy2 O15 C47 C48 -15.2(4) 1_565 . . . ?
Dy2 O16 C48 C47 3.4(4) 1_565 . . . ?
Dy2 O16 C48 C49 -177.5(3) 1_565 . . . ?
Br1 C39 C40 O9 1.1(7) . . . . ?
Br1 C39 C40 C41 -179.6(3) . . . . ?
Br1 C39 C44 O11 -1.4(7) . . . . ?
Br1 C39 C44 C43 179.4(3) . . . . ?
Br2 C42 C43 O12 0.6(6) . . . . ?
Br2 C42 C43 C44 -179.1(3) . . . . ?
Br3 C46 C47 O15 -2.4(5) . . . . ?
Br3 C46 C47 C48 177.7(3) . . . . ?
Br4 C49 C50 O14 -0.1(6) . . . . ?
Br4 C49 C50 C45 178.6(3) . . . . ?
Zn1 O6 C26 C21 161.9(3) . . . . ?
Zn1 O6 C26 C25 -19.5(6) . . . . ?
Zn1 O7 C37 C32 25.7(5) . . . . ?
Zn1 O7 C37 C36 -155.3(3) . . . . ?
Zn1 O20 N5 O19 22.8(5) . . . . ?
Zn1 O20 N5 O21 -157.2(3) . . . . ?
Zn1 N3 C27 C25 4.5(7) . . . . ?
Zn1 N3 C28 C29 34.8(5) . . . . ?
Zn1 N4 C30 C29 -46.3(5) . . . . ?
Zn1 N4 C31 C32 -2.1(7) . . . . ?
Zn2 O2 C7 C2 -156.3(4) . . . . ?
Zn2 O2 C7 C6 27.3(6) . . . . ?
Zn2 O3 C18 C13 -20.7(6) . . . . ?
Zn2 O3 C18 C17 161.2(3) . . . . ?
Zn2 N1 C8 C6 -8.1(8) . . . . ?
Zn2 N1 C9 C10 -30.4(6) . . . . ?
Zn2 N2 C11 C10 37.0(6) . . . . ?
Zn2 N2 C12 C13 7.5(8) . . . . ?
O1 C2 C3 C4 -179.7(8) . . . . ?
O1 C2 C7 O2 2.8(7) . . . . ?
O1 C2 C7 C6 179.5(5) . . . . ?
O4 C17 C18 O3 -4.6(6) . . . . ?
O4 C17 C18 C13 177.2(4) . . . . ?
O5 C21 C22 C23 177.3(5) . . . . ?
O5 C21 C26 O6 3.3(6) . . . . ?
O5 C21 C26 C25 -175.3(4) . . . . ?
O8 C36 C37 O7 1.3(5) . . . . ?
O8 C36 C37 C32 -179.6(4) . . . . ?
O9 C40 C41 O10 1.6(6) . . . . ?
O9 C40 C41 C42 -178.7(4) . . . . ?
O10 C41 C42 Br2 -1.5(7) . . . . ?
O10 C41 C42 C43 178.1(5) . . . . ?
O12 C43 C44 O11 -0.5(6) . . . . ?
O12 C43 C44 C39 178.8(4) . . . . ?
O13 C45 C46 Br3 -2.9(5) . . . . ?
O13 C45 C46 C47 179.4(4) . . . . ?
O13 C45 C50 O14 1.2(5) . . . . ?
O13 C45 C50 C49 -177.7(4) . . . . ?
O15 C47 C48 O16 7.5(5) . . . . ?
O15 C47 C48 C49 -171.7(4) . . . . ?
O16 C48 C49 Br4 -2.6(6) . . . . ?
O16 C48 C49 C50 174.3(4) . . . . ?
N1 C9 C10 C11 72.0(6) . . . . ?
N2 C12 C13 C14 -175.2(5) . . . . ?
N2 C12 C13 C18 6.6(9) . . . . ?
N3 C28 C29 C30 -70.8(5) . . . . ?
N4 C31 C32 C33 168.4(5) . . . . ?
N4 C31 C32 C37 -13.1(8) . . . . ?
C1 O1 C2 C3 5.3(9) . . . . ?
C1 O1 C2 C7 -173.0(5) . . . . ?
C2 C3 C4 C5 1.9(17) . . . . ?
C3 C2 C7 O2 -175.5(6) . . . . ?
C3 C2 C7 C6 1.1(9) . . . . ?
C3 C4 C5 C6 -1.7(17) . . . . ?
C4 C5 C6 C7 1.3(13) . . . . ?
C4 C5 C6 C8 176.8(9) . . . . ?
C5 C6 C7 O2 175.4(6) . . . . ?
C5 C6 C7 C2 -0.9(9) . . . . ?
C5 C6 C8 N1 173.3(7) . . . . ?
C7 C2 C3 C4 -1.6(13) . . . . ?
C7 C6 C8 N1 -11.3(10) . . . . ?
C8 N1 C9 C10 145.7(5) . . . . ?
C8 C6 C7 O2 0.3(9) . . . . ?
C8 C6 C7 C2 -176.1(5) . . . . ?
C9 N1 C8 C6 175.8(5) . . . . ?
C9 C10 C11 N2 -76.3(6) . . . . ?
C11 N2 C12 C13 -175.1(5) . . . . ?
C12 N2 C11 C10 -140.5(5) . . . . ?
C12 C13 C14 C15 -176.9(6) . . . . ?
C12 C13 C18 O3 0.8(7) . . . . ?
C12 C13 C18 C17 178.9(5) . . . . ?
C13 C14 C15 C16 -2.1(10) . . . . ?
C14 C13 C18 O3 -177.4(5) . . . . ?
C14 C13 C18 C17 0.7(7) . . . . ?
C14 C15 C16 C17 0.8(10) . . . . ?
C15 C16 C17 O4 -177.8(5) . . . . ?
C15 C16 C17 C18 1.3(9) . . . . ?
C16 C17 C18 O3 176.2(5) . . . . ?
C16 C17 C18 C13 -2.0(7) . . . . ?
C18 C13 C14 C15 1.3(8) . . . . ?
C19 O4 C17 C16 -4.5(7) . . . . ?
C19 O4 C17 C18 176.3(4) . . . . ?
C20 O5 C21 C22 -9.8(7) . . . . ?
C20 O5 C21 C26 169.6(4) . . . . ?
C21 C22 C23 C24 -1.7(9) . . . . ?
C22 C21 C26 O6 -177.3(4) . . . . ?
C22 C21 C26 C25 4.0(7) . . . . ?
C22 C23 C24 C25 3.2(9) . . . . ?
C23 C24 C25 C26 -1.1(8) . . . . ?
C23 C24 C25 C27 -177.6(5) . . . . ?
C24 C25 C26 O6 179.0(4) . . . . ?
C24 C25 C26 C21 -2.5(7) . . . . ?
C24 C25 C27 N3 -170.5(5) . . . . ?
C26 C21 C22 C23 -2.0(8) . . . . ?
C26 C25 C27 N3 13.2(8) . . . . ?
C27 N3 C28 C29 -143.6(4) . . . . ?
C27 C25 C26 O6 -4.8(7) . . . . ?
C27 C25 C26 C21 173.7(4) . . . . ?
C28 N3 C27 C25 -177.2(4) . . . . ?
C28 C29 C30 N4 78.6(5) . . . . ?
C30 N4 C31 C32 179.1(4) . . . . ?
C31 N4 C30 C29 132.6(5) . . . . ?
C31 C32 C33 C34 178.9(5) . . . . ?
C31 C32 C37 O7 -0.2(7) . . . . ?
C31 C32 C37 C36 -179.2(4) . . . . ?
C32 C33 C34 C35 0.9(8) . . . . ?
C33 C32 C37 O7 178.3(4) . . . . ?
C33 C32 C37 C36 -0.7(6) . . . . ?
C33 C34 C35 C36 -1.7(8) . . . . ?
C34 C35 C36 O8 -179.3(4) . . . . ?
C34 C35 C36 C37 1.3(7) . . . . ?
C35 C36 C37 O7 -179.2(4) . . . . ?
C35 C36 C37 C32 -0.1(6) . . . . ?
C37 C32 C33 C34 0.3(7) . . . . ?
C38 O8 C36 C35 10.4(6) . . . . ?
C38 O8 C36 C37 -170.1(4) . . . . ?
C39 C40 C41 O10 -177.8(5) . . . . ?
C39 C40 C41 C42 1.9(7) . . . . ?
C40 C39 C44 O11 -178.8(5) . . . . ?
C40 C39 C44 C43 2.0(7) . . . . ?
C40 C41 C42 Br2 178.9(3) . . . . ?
C40 C41 C42 C43 -1.6(7) . . . . ?
C41 C42 C43 O12 -179.0(4) . . . . ?
C41 C42 C43 C44 1.4(7) . . . . ?
C42 C43 C44 O11 179.2(4) . . . . ?
C42 C43 C44 C39 -1.6(6) . . . . ?
C44 C39 C40 O9 178.5(5) . . . . ?
C44 C39 C40 C41 -2.2(7) . . . . ?
C45 C46 C47 O15 175.3(4) . . . . ?
C45 C46 C47 C48 -4.7(5) . . . . ?
C46 C45 C50 O14 -179.1(3) . . . . ?
C46 C45 C50 C49 2.0(5) . . . . ?
C46 C47 C48 O16 -172.6(3) . . . . ?
C46 C47 C48 C49 8.2(5) . . . . ?
C47 C48 C49 Br4 176.5(3) . . . . ?
C47 C48 C49 C50 -6.6(6) . . . . ?
C48 C49 C50 O14 -177.1(4) . . . . ?
C48 C49 C50 C45 1.7(6) . . . . ?
C50 C45 C46 Br3 177.4(3) . . . . ?
C50 C45 C46 C47 -0.3(5) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.468 0.000 0.500 292.8 77.0 ?
2 0.317 0.340 -0.033 70.7 13.9 ?
3 0.683 0.660 0.033 70.7 13.2 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.066
_oxdiff_exptl_absorpt_empirical_full_min 0.558
_exptl_crystal_preparation       'Magnetic properties'
