# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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 2496891'
loop_
_audit_author_name
_audit_author_address
A
;Henan Academy of Sciences
China
;
_audit_update_record             
;
2025-10-21 deposited with the CCDC.	2026-01-02 downloaded from the CCDC.
;
_audit_creation_date             2025-10-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C62 H48 N2 O10 Zn'
_chemical_formula_sum            'C62 H48 N2 O10 Zn'
_chemical_formula_weight         1046.39
_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'
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                   9.0458(3)
_cell_length_b                   11.4454(3)
_cell_length_c                   12.9865(4)
_cell_angle_alpha                72.811(2)
_cell_angle_beta                 77.128(2)
_cell_angle_gamma                86.718(2)
_cell_volume                     1252.14(7)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7232
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      73.8900
_cell_measurement_theta_min      4.0280
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.220
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.29894
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.49a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             544
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_unetI/netI     0.0711
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13810
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.714
_diffrn_reflns_theta_min         3.649
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -42.00 -16.00   0.50    0.10    --  -39.95  42.00  84.00   52
  2  ω   -114.00 -86.00   0.50    0.10    --  -39.95 -42.00 -67.00   56
  3  ω    -64.00 -10.00   0.50    0.10    --  -39.95 -42.00 -67.00  108
  4  ω    -47.00 -14.00   0.50    0.40    --  -94.50  42.00  84.00   66
  5  ω    -97.00 -71.00   0.50    0.40    --  -94.50 -42.00 -67.00   52
  6  ω   -126.00 -99.00   0.50    0.40    --  -94.50 -42.00 -67.00   54
  7  ω   -169.00-140.00   0.50    0.40    --  -94.50 -42.00 -67.00   58
  8  ω    -40.00  41.00   0.50    0.10    --  -39.95  37.00 -30.00  162
  9  ω     -9.00  39.00   0.50    0.10    --  -39.95  42.00  84.00   96
 10  ω     62.00 126.00   0.50    0.10    --   39.95-178.00-150.00  128
 11  ω     14.00  39.00   0.50    0.10    --   39.95  42.00  84.00   50
 12  ω    -43.00  27.00   0.50    0.10    --   39.95 -19.00 150.00  140
 13  ω     70.00 114.00   0.50    0.10    --   39.95  42.00  84.00   88
 14  ω     63.00 102.00   0.50    0.10    --   39.95 178.00 -30.00   78
 15  ω    -27.00  15.00   0.50    0.10    --   39.95 -42.00 -67.00   84
 16  ω    -83.00 -52.00   0.50    0.40    --  -94.50 125.00  30.00   62
 17  ω    -51.00 -15.00   0.50    0.40    --  -94.50  45.00 -60.00   72
 18  ω    -50.00 -15.00   0.50    0.40    --  -94.50  45.00-180.00   70
 19  ω    -48.00 -21.00   0.50    0.40    --  -94.50  45.00-150.00   54
 20  ω    -51.00 -15.00   0.50    0.40    --  -94.50  45.00-120.00   72
 21  ω   -101.00 -69.00   0.50    0.40    --  -94.50 -61.00   0.00   64
 22  ω   -169.00-107.00   0.50    0.40    --  -94.50 -61.00   0.00  124
 23  ω    -62.00 -36.00   0.50    0.40    --  -94.50  61.00 -60.00   52
 24  ω   -112.00 -73.00   0.50    0.40    --  -94.50-125.00-120.00   78
 25  ω    -50.00 -15.00   0.50    0.40    --  -94.50  45.00 120.00   70
 26  ω   -156.00-129.00   0.50    0.40    --  -94.50-125.00-120.00   54
 27  ω   -169.00 -94.00   0.50    0.40    --  -94.50 -94.00-180.00  150
 28  ω    -60.00 -19.00   0.50    0.40    --  -94.50  77.00-120.00   82
 29  ω     29.00 105.00   0.50    0.40    --  108.87 -94.00 -90.00  152
 30  ω     43.00 121.00   0.50    0.40    --  108.87-139.00  18.24  156
 31  ω    137.00 178.00   0.50    0.40    --  108.87  30.00-180.00   82
 32  ω     72.00 105.00   0.50    0.40    --  108.87  30.00-180.00   66
 33  ω     29.00 105.00   0.50    0.40    --  108.87 -94.00  60.00  152
 34  ω    118.00 147.00   0.50    0.40    --  108.87  42.00  84.00   58
 35  ω     43.00 111.00   0.50    0.40    --  108.87-125.00-120.00  136
 36  ω     85.00 117.00   0.50    0.40    --  108.87-132.00 -76.19   64
 37  ω     67.00  93.00   0.50    0.40    --  108.87-125.00 -90.00   52
 38  ω     73.00 107.00   0.50    0.40    --  108.87-102.00 -16.16   68
 39  ω     65.00  99.00   0.50    0.40    --  108.87 -94.00 120.00   68
 40  ω     29.00  59.00   0.50    0.40    --  108.87 -94.00 120.00   60
 41  ω    115.00 176.00   0.50    0.40    --  108.87  30.00 -90.00  122
 42  ω     72.00  98.00   0.50    0.40    --  108.87  30.00 -90.00   52
 43  ω     39.00 105.00   0.50    0.40    --  108.87 -77.00 120.00  132
 44  ω     65.00  97.00   0.50    0.40    --  108.87 -94.00  30.00   64
 45  ω     74.00 100.00   0.50    0.40    --  108.87-125.00 -60.00   52
 46  ω     77.00 177.00   0.50    0.40    --  108.87  30.00  30.00  200
 47  ω     88.00 113.00   0.50    0.40    --  108.87  42.00  84.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0803789000
_diffrn_orient_matrix_UB_12      0.0844852000
_diffrn_orient_matrix_UB_13      0.0676816000
_diffrn_orient_matrix_UB_21      0.1549362000
_diffrn_orient_matrix_UB_22      0.0402397000
_diffrn_orient_matrix_UB_23      0.0093101000
_diffrn_orient_matrix_UB_31      0.0074351000
_diffrn_orient_matrix_UB_32      0.1053373000
_diffrn_orient_matrix_UB_33      -0.1072616000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4067
_reflns_number_total             4823
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.49a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.41.49a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.41.49a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.424
_refine_diff_density_min         -1.143
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         4823
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0752
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1131P)²+2.3369P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2154
_refine_ls_wR_factor_ref         0.2253
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00F(H00F), C00H(H00H), C00L(H00L), C00M(H00M), C00O(H00O), C00P(H00P),
 C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T), C00U(H00U), C00V(H00V),
 C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z), C010(H010)
2.b Tetrahedral OH refined with riding coordinates:
 O006(H006)
2.c Idealised Me refined as rotating group:
 C011(H01A,H01B,H01C), C012(H01D,H01E,H01F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Zn1 Zn 0.0000 0.5000 0.0000 0.0400(3) Uani 1 2 d S . P . .
O002 O 0.1829(3) 0.5058(2) 0.0787(2) 0.0390(7) Uani 1 1 d . . . . .
O003 O 1.0604(3) -0.3165(2) 0.8899(2) 0.0355(6) Uani 1 1 d . . . . .
O004 O 1.0858(4) -0.1792(2) 0.9763(2) 0.0384(7) Uani 1 1 d . . . . .
O005 O -0.1557(4) 0.5894(3) 0.1057(2) 0.0398(7) Uani 1 1 d . . . . .
O006 O 0.2136(4) 0.6812(2) 0.1128(3) 0.0452(8) Uani 1 1 d . . . . .
H006 H 0.2187 0.7170 0.0473 0.068 Uiso 1 1 calc R U . . .
C007 C 0.5002(4) 0.1905(3) 0.5279(3) 0.0228(7) Uani 1 1 d . . . . .
C008 C 0.9635(4) -0.1189(3) 0.8262(3) 0.0232(7) Uani 1 1 d . . . . .
C009 C 0.8013(4) 0.2442(3) 0.5282(3) 0.0227(7) Uani 1 1 d . . . . .
C00A C 0.8125(4) 0.0511(3) 0.6826(3) 0.0230(7) Uani 1 1 d . . . . .
C00B C 0.7238(4) 0.3219(3) 0.4478(3) 0.0239(7) Uani 1 1 d . . . . .
C00C C 0.2355(4) 0.5687(3) 0.1250(3) 0.0279(8) Uani 1 1 d . . . . .
C00D C 0.5738(4) 0.2940(3) 0.4486(3) 0.0239(7) Uani 1 1 d . . . . .
C00E C 0.7280(4) 0.1390(3) 0.6059(3) 0.0223(7) Uani 1 1 d . . . . .
C00F C 0.9327(4) -0.1456(3) 0.7350(3) 0.0283(8) Uani 1 1 d . . . . .
H00F H 0.9616 -0.2201 0.7219 0.034 Uiso 1 1 calc R U . . .
C00G C 0.3333(4) 0.5043(3) 0.2049(3) 0.0252(7) Uani 1 1 d . . . . .
C00H C 0.9200(4) -0.0082(3) 0.8451(3) 0.0267(7) Uani 1 1 d . . . . .
H00H H 0.9416 0.0098 0.9055 0.032 Uiso 1 1 calc R U . . .
C00I C 0.5782(4) 0.1120(3) 0.6070(3) 0.0224(7) Uani 1 1 d . . . . .
C00J C 1.0424(4) -0.2142(3) 0.9014(3) 0.0265(7) Uani 1 1 d . . . . .
C00K C 0.4946(4) 0.3717(3) 0.3623(3) 0.0252(7) Uani 1 1 d . . . . .
C00L C 0.4988(4) 0.0076(3) 0.6859(3) 0.0282(8) Uani 1 1 d . . . . .
H00L H 0.5471 -0.0430 0.7387 0.034 Uiso 1 1 calc R U . . .
C00M C 0.8440(4) 0.0767(3) 0.7741(3) 0.0268(7) Uani 1 1 d . . . . .
H00M H 0.8141 0.1508 0.7878 0.032 Uiso 1 1 calc R U . . .
N00N N -0.3091(5) 0.7493(4) 0.1152(4) 0.0512(10) Uani 1 1 d . . . . .
C00O C 0.8584(4) -0.0599(3) 0.6636(3) 0.0293(8) Uani 1 1 d . . . . .
H00O H 0.8392 -0.0772 0.6022 0.035 Uiso 1 1 calc R U . . .
C00P C 0.9530(4) 0.2768(3) 0.5245(3) 0.0312(8) Uani 1 1 d . . . . .
H00P H 1.0048 0.2279 0.5758 0.037 Uiso 1 1 calc R U . . .
C00Q C 0.3632(5) 0.5536(3) 0.2832(3) 0.0315(8) Uani 1 1 d . . . . .
H00Q H 0.3302 0.6320 0.2835 0.038 Uiso 1 1 calc R U . . .
C00R C 0.3541(4) -0.0196(4) 0.6859(3) 0.0341(8) Uani 1 1 d . . . . .
H00R H 0.3056 -0.0888 0.7376 0.041 Uiso 1 1 calc R U . . .
C00S C 0.4420(5) 0.4871(3) 0.3616(3) 0.0319(8) Uani 1 1 d . . . . .
H00S H 0.4595 0.5212 0.4146 0.038 Uiso 1 1 calc R U . . .
C00T C 0.3472(4) 0.1585(3) 0.5325(3) 0.0304(8) Uani 1 1 d . . . . .
H00T H 0.2944 0.2089 0.4827 0.037 Uiso 1 1 calc R U . . .
C00U C 0.8045(4) 0.4245(4) 0.3672(3) 0.0332(8) Uani 1 1 d . . . . .
H00U H 0.7575 0.4737 0.3130 0.040 Uiso 1 1 calc R U . . .
C00V C 0.2773(4) 0.0567(4) 0.6077(4) 0.0356(9) Uani 1 1 d . . . . .
H00V H 0.1789 0.0372 0.6077 0.043 Uiso 1 1 calc R U . . .
C00W C 0.9483(5) 0.4519(4) 0.3681(4) 0.0401(10) Uani 1 1 d . . . . .
H00W H 0.9978 0.5203 0.3159 0.048 Uiso 1 1 calc R U . . .
C00X C -0.2592(5) 0.6554(4) 0.0783(4) 0.0411(10) Uani 1 1 d . . . . .
H00X H -0.3065 0.6383 0.0276 0.049 Uiso 1 1 calc R U . . .
C00Y C 1.0229(5) 0.3766(4) 0.4484(4) 0.0397(10) Uani 1 1 d . . . . .
H00Y H 1.1211 0.3962 0.4486 0.048 Uiso 1 1 calc R U . . .
C00Z C 0.3841(7) 0.3884(4) 0.2062(4) 0.0517(13) Uani 1 1 d . . . . .
H00Z H 0.3624 0.3528 0.1554 0.062 Uiso 1 1 calc R U . . .
C010 C 0.4670(6) 0.3240(4) 0.2823(4) 0.0517(14) Uani 1 1 d . . . . .
H010 H 0.5046 0.2474 0.2795 0.062 Uiso 1 1 calc R U . . .
C011 C -0.4297(8) 0.8262(7) 0.0781(8) 0.097(3) Uani 1 1 d . . . . .
H01A H -0.3920 0.9082 0.0421 0.146 Uiso 1 1 calc R U . . .
H01B H -0.5104 0.8258 0.1403 0.146 Uiso 1 1 calc R U . . .
H01C H -0.4670 0.7959 0.0271 0.146 Uiso 1 1 calc R U . . .
C012 C -0.2394(9) 0.7796(7) 0.1935(7) 0.091(2) Uani 1 1 d . . . . .
H01D H -0.3071 0.7582 0.2647 0.137 Uiso 1 1 calc R U . . .
H01E H -0.2177 0.8657 0.1700 0.137 Uiso 1 1 calc R U . . .
H01F H -0.1467 0.7349 0.1980 0.137 Uiso 1 1 calc R U . . .


_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
Zn1 O002 2.143(2) 2_565 ?
Zn1 O002 2.143(2) . ?
Zn1 O003 2.182(3) 2_656 ?
Zn1 O003 2.182(3) 1_464 ?
Zn1 O005 2.172(3) 2_565 ?
Zn1 O005 2.172(3) . ?
O002 C00C 1.237(4) . ?
O003 Zn1 2.182(3) 1_646 ?
O003 C00J 1.222(5) . ?
O004 C00J 1.295(4) . ?
O005 C00X 1.218(5) . ?
O006 H006 0.8200 . ?
O006 C00C 1.260(5) . ?
C007 C00D 1.403(5) . ?
C007 C00I 1.438(4) . ?
C007 C00T 1.436(5) . ?
C008 C00F 1.394(5) . ?
C008 C00H 1.380(5) . ?
C008 C00J 1.498(4) . ?
C009 C00B 1.441(4) . ?
C009 C00E 1.408(5) . ?
C009 C00P 1.430(5) . ?
C00A C00E 1.500(4) . ?
C00A C00M 1.394(5) . ?
C00A C00O 1.387(5) . ?
C00B C00D 1.409(5) . ?
C00B C00U 1.427(5) . ?
C00C C00G 1.511(4) . ?
C00D C00K 1.501(4) . ?
C00E C00I 1.403(5) . ?
C00F H00F 0.9300 . ?
C00F C00O 1.392(4) . ?
C00G C00Q 1.380(5) . ?
C00G C00Z 1.376(5) . ?
C00H H00H 0.9300 . ?
C00H C00M 1.395(4) . ?
C00I C00L 1.428(5) . ?
C00K C00S 1.377(5) . ?
C00K C010 1.381(5) . ?
C00L H00L 0.9300 . ?
C00L C00R 1.363(5) . ?
C00M H00M 0.9300 . ?
N00N C00X 1.320(6) . ?
N00N C011 1.438(8) . ?
N00N C012 1.439(8) . ?
C00O H00O 0.9300 . ?
C00P H00P 0.9300 . ?
C00P C00Y 1.349(6) . ?
C00Q H00Q 0.9300 . ?
C00Q C00S 1.388(4) . ?
C00R H00R 0.9300 . ?
C00R C00V 1.413(5) . ?
C00S H00S 0.9300 . ?
C00T H00T 0.9300 . ?
C00T C00V 1.360(6) . ?
C00U H00U 0.9300 . ?
C00U C00W 1.359(6) . ?
C00V H00V 0.9300 . ?
C00W H00W 0.9300 . ?
C00W C00Y 1.414(5) . ?
C00X H00X 0.9300 . ?
C00Y H00Y 0.9300 . ?
C00Z H00Z 0.9300 . ?
C00Z C010 1.385(5) . ?
C010 H010 0.9300 . ?
C011 H01A 0.9600 . ?
C011 H01B 0.9600 . ?
C011 H01C 0.9600 . ?
C012 H01D 0.9600 . ?
C012 H01E 0.9600 . ?
C012 H01F 0.9600 . ?

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
O002 Zn1 O002 180.0 2_565 . ?
O002 Zn1 O003 89.83(10) . 2_656 ?
O002 Zn1 O003 89.83(10) 2_565 1_464 ?
O002 Zn1 O003 90.17(10) . 1_464 ?
O002 Zn1 O003 90.17(10) 2_565 2_656 ?
O002 Zn1 O005 93.02(11) 2_565 2_565 ?
O002 Zn1 O005 86.98(11) . 2_565 ?
O002 Zn1 O005 86.98(11) 2_565 . ?
O002 Zn1 O005 93.02(11) . . ?
O003 Zn1 O003 180.00(8) 1_464 2_656 ?
O005 Zn1 O003 93.79(11) 2_565 1_464 ?
O005 Zn1 O003 93.79(11) . 2_656 ?
O005 Zn1 O003 86.21(11) . 1_464 ?
O005 Zn1 O003 86.21(11) 2_565 2_656 ?
O005 Zn1 O005 180.0 2_565 . ?
C00C O002 Zn1 141.7(2) . . ?
C00J O003 Zn1 133.7(3) . 1_646 ?
C00X O005 Zn1 124.8(3) . . ?
C00C O006 H006 109.5 . . ?
C00D C007 C00I 120.2(3) . . ?
C00D C007 C00T 122.0(3) . . ?
C00T C007 C00I 117.8(3) . . ?
C00F C008 C00J 117.8(3) . . ?
C00H C008 C00F 119.9(3) . . ?
C00H C008 C00J 122.3(3) . . ?
C00E C009 C00B 119.9(3) . . ?
C00E C009 C00P 122.2(3) . . ?
C00P C009 C00B 117.9(3) . . ?
C00M C00A C00E 121.8(3) . . ?
C00O C00A C00E 119.3(3) . . ?
C00O C00A C00M 118.9(3) . . ?
C00D C00B C009 120.0(3) . . ?
C00D C00B C00U 121.8(3) . . ?
C00U C00B C009 118.2(3) . . ?
O002 C00C O006 126.0(3) . . ?
O002 C00C C00G 117.1(3) . . ?
O006 C00C C00G 116.9(3) . . ?
C007 C00D C00B 119.8(3) . . ?
C007 C00D C00K 119.9(3) . . ?
C00B C00D C00K 120.2(3) . . ?
C009 C00E C00A 120.3(3) . . ?
C00I C00E C009 119.9(3) . . ?
C00I C00E C00A 119.6(3) . . ?
C008 C00F H00F 120.2 . . ?
C00O C00F C008 119.5(3) . . ?
C00O C00F H00F 120.2 . . ?
C00Q C00G C00C 122.2(3) . . ?
C00Z C00G C00C 119.2(3) . . ?
C00Z C00G C00Q 118.4(3) . . ?
C008 C00H H00H 119.8 . . ?
C008 C00H C00M 120.4(3) . . ?
C00M C00H H00H 119.8 . . ?
C00E C00I C007 120.1(3) . . ?
C00E C00I C00L 121.7(3) . . ?
C00L C00I C007 118.3(3) . . ?
O003 C00J O004 124.9(3) . . ?
O003 C00J C008 119.8(3) . . ?
O004 C00J C008 115.3(3) . . ?
C00S C00K C00D 123.1(3) . . ?
C00S C00K C010 117.9(3) . . ?
C010 C00K C00D 118.9(3) . . ?
C00I C00L H00L 119.2 . . ?
C00R C00L C00I 121.6(3) . . ?
C00R C00L H00L 119.2 . . ?
C00A C00M C00H 120.3(3) . . ?
C00A C00M H00M 119.9 . . ?
C00H C00M H00M 119.9 . . ?
C00X N00N C011 122.6(6) . . ?
C00X N00N C012 119.7(5) . . ?
C011 N00N C012 117.7(6) . . ?
C00A C00O C00F 121.1(3) . . ?
C00A C00O H00O 119.5 . . ?
C00F C00O H00O 119.5 . . ?
C009 C00P H00P 119.2 . . ?
C00Y C00P C009 121.6(3) . . ?
C00Y C00P H00P 119.2 . . ?
C00G C00Q H00Q 119.7 . . ?
C00G C00Q C00S 120.6(3) . . ?
C00S C00Q H00Q 119.7 . . ?
C00L C00R H00R 119.8 . . ?
C00L C00R C00V 120.4(4) . . ?
C00V C00R H00R 119.8 . . ?
C00K C00S C00Q 121.1(3) . . ?
C00K C00S H00S 119.4 . . ?
C00Q C00S H00S 119.4 . . ?
C007 C00T H00T 119.1 . . ?
C00V C00T C007 121.9(3) . . ?
C00V C00T H00T 119.1 . . ?
C00B C00U H00U 119.3 . . ?
C00W C00U C00B 121.4(3) . . ?
C00W C00U H00U 119.3 . . ?
C00R C00V H00V 120.0 . . ?
C00T C00V C00R 120.0(3) . . ?
C00T C00V H00V 120.0 . . ?
C00U C00W H00W 119.9 . . ?
C00U C00W C00Y 120.2(4) . . ?
C00Y C00W H00W 119.9 . . ?
O005 C00X N00N 124.8(4) . . ?
O005 C00X H00X 117.6 . . ?
N00N C00X H00X 117.6 . . ?
C00P C00Y C00W 120.7(4) . . ?
C00P C00Y H00Y 119.6 . . ?
C00W C00Y H00Y 119.6 . . ?
C00G C00Z H00Z 119.6 . . ?
C00G C00Z C010 120.8(4) . . ?
C010 C00Z H00Z 119.6 . . ?
C00K C010 C00Z 121.0(4) . . ?
C00K C010 H010 119.5 . . ?
C00Z C010 H010 119.5 . . ?
N00N C011 H01A 109.5 . . ?
N00N C011 H01B 109.5 . . ?
N00N C011 H01C 109.5 . . ?
H01A C011 H01B 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
N00N C012 H01D 109.5 . . ?
N00N C012 H01E 109.5 . . ?
N00N C012 H01F 109.5 . . ?
H01D C012 H01E 109.5 . . ?
H01D C012 H01F 109.5 . . ?
H01E C012 H01F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn1 O002 C00C O006 -22.9(7) . . . . ?
Zn1 O002 C00C C00G 156.1(3) . . . . ?
Zn1 O003 C00J O004 54.8(6) 1_646 . . . ?
Zn1 O003 C00J C008 -124.5(3) 1_646 . . . ?
Zn1 O005 C00X N00N -148.0(4) . . . . ?
O002 C00C C00G C00Q -161.5(4) . . . . ?
O002 C00C C00G C00Z 12.9(6) . . . . ?
O006 C00C C00G C00Q 17.6(6) . . . . ?
O006 C00C C00G C00Z -168.0(4) . . . . ?
C007 C00D C00K C00S 108.8(4) . . . . ?
C007 C00D C00K C010 -68.3(5) . . . . ?
C007 C00I C00L C00R 1.5(5) . . . . ?
C007 C00T C00V C00R 1.5(6) . . . . ?
C008 C00F C00O C00A -0.9(6) . . . . ?
C008 C00H C00M C00A -0.7(6) . . . . ?
C009 C00B C00D C007 0.0(5) . . . . ?
C009 C00B C00D C00K -177.5(3) . . . . ?
C009 C00B C00U C00W -2.6(6) . . . . ?
C009 C00E C00I C007 0.9(5) . . . . ?
C009 C00E C00I C00L -178.7(3) . . . . ?
C009 C00P C00Y C00W -0.9(7) . . . . ?
C00A C00E C00I C007 -175.0(3) . . . . ?
C00A C00E C00I C00L 5.5(5) . . . . ?
C00B C009 C00E C00A 174.0(3) . . . . ?
C00B C009 C00E C00I -1.8(5) . . . . ?
C00B C009 C00P C00Y -0.2(6) . . . . ?
C00B C00D C00K C00S -73.6(5) . . . . ?
C00B C00D C00K C010 109.3(5) . . . . ?
C00B C00U C00W C00Y 1.5(7) . . . . ?
C00C C00G C00Q C00S 174.2(4) . . . . ?
C00C C00G C00Z C010 -176.5(5) . . . . ?
C00D C007 C00I C00E 0.5(5) . . . . ?
C00D C007 C00I C00L -179.9(3) . . . . ?
C00D C007 C00T C00V 178.4(4) . . . . ?
C00D C00B C00U C00W 178.9(4) . . . . ?
C00D C00K C00S C00Q -177.0(4) . . . . ?
C00D C00K C010 C00Z 174.9(5) . . . . ?
C00E C009 C00B C00D 1.4(5) . . . . ?
C00E C009 C00B C00U -177.2(3) . . . . ?
C00E C009 C00P C00Y 178.8(4) . . . . ?
C00E C00A C00M C00H 178.6(3) . . . . ?
C00E C00A C00O C00F -177.9(3) . . . . ?
C00E C00I C00L C00R -179.0(4) . . . . ?
C00F C008 C00H C00M 0.7(6) . . . . ?
C00F C008 C00J O003 -9.2(5) . . . . ?
C00F C008 C00J O004 171.5(3) . . . . ?
C00G C00Q C00S C00K 1.1(7) . . . . ?
C00G C00Z C010 C00K 3.2(9) . . . . ?
C00H C008 C00F C00O 0.1(6) . . . . ?
C00H C008 C00J O003 170.2(4) . . . . ?
C00H C008 C00J O004 -9.2(5) . . . . ?
C00I C007 C00D C00B -1.0(5) . . . . ?
C00I C007 C00D C00K 176.6(3) . . . . ?
C00I C007 C00T C00V -0.9(6) . . . . ?
C00I C00L C00R C00V -0.9(6) . . . . ?
C00J C008 C00F C00O 179.5(3) . . . . ?
C00J C008 C00H C00M -178.7(3) . . . . ?
C00L C00R C00V C00T -0.6(6) . . . . ?
C00M C00A C00E C009 76.3(5) . . . . ?
C00M C00A C00E C00I -107.9(4) . . . . ?
C00M C00A C00O C00F 1.0(6) . . . . ?
C00O C00A C00E C009 -104.9(4) . . . . ?
C00O C00A C00E C00I 70.9(5) . . . . ?
C00O C00A C00M C00H -0.2(6) . . . . ?
C00P C009 C00B C00D -179.6(3) . . . . ?
C00P C009 C00B C00U 1.9(5) . . . . ?
C00P C009 C00E C00A -5.0(5) . . . . ?
C00P C009 C00E C00I 179.2(3) . . . . ?
C00Q C00G C00Z C010 -1.8(8) . . . . ?
C00S C00K C010 C00Z -2.3(8) . . . . ?
C00T C007 C00D C00B 179.7(3) . . . . ?
C00T C007 C00D C00K -2.8(5) . . . . ?
C00T C007 C00I C00E 179.9(3) . . . . ?
C00T C007 C00I C00L -0.5(5) . . . . ?
C00U C00B C00D C007 178.5(3) . . . . ?
C00U C00B C00D C00K 0.9(5) . . . . ?
C00U C00W C00Y C00P 0.3(7) . . . . ?
C00Z C00G C00Q C00S -0.3(7) . . . . ?
C010 C00K C00S C00Q 0.2(7) . . . . ?
C011 N00N C00X O005 178.5(6) . . . . ?
C012 N00N C00X O005 0.2(8) . . . . ?

_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 4.400
_oxdiff_exptl_absorpt_empirical_full_min 0.531
