# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_amir1
_database_code_depnum_ccdc_archive 'CCDC 2392230'
loop_
_audit_author_name
_audit_author_address
'Muniappan Sankar'
;Indian Institute of Technology Roorkee
India
;
_audit_update_record             
;
2024-10-18 deposited with the CCDC.	2025-01-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C61 H38 Cl3 N8 O6 Zn'
_chemical_formula_sum            'C61 H38 Cl3 N8 O6 Zn'
_chemical_formula_weight         1150.71

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.431(3)
_cell_length_b                   16.704(6)
_cell_length_c                   19.162(7)
_cell_angle_alpha                64.511(15)
_cell_angle_beta                 81.957(16)
_cell_angle_gamma                85.757(16)
_cell_volume                     2697.7(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5381
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      22.52

_exptl_crystal_description       Block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_F_000             1178
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.665
_shelx_estimated_absorpt_T_min   0.851
_shelx_estimated_absorpt_T_max   0.936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.851
_exptl_absorpt_correction_T_max  0.936
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34685
_diffrn_reflns_av_unetI/netI     0.0963
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.143
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             9264
_reflns_number_gt                5503
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0911P)²+0.6841P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9264
_refine_ls_number_parameters     745
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1120
_refine_ls_R_factor_gt           0.0543
_refine_ls_wR_factor_ref         0.1782
_refine_ls_wR_factor_gt          0.1351
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8356(4) 0.8334(3) 0.9015(2) 0.0326(10) Uani 1 1 d . . . . .
C2 C 0.8052(4) 0.8934(3) 0.9397(2) 0.0342(10) Uani 1 1 d . . . . .
C3 C 0.8376(5) 0.8909(3) 1.0102(3) 0.0436(12) Uani 1 1 d . . . . .
H3 H 0.8873 0.8424 1.0434 0.052 Uiso 1 1 calc R U . . .
C4 C 0.7955(5) 0.9606(3) 1.0303(3) 0.0444(12) Uani 1 1 d . . . . .
C5 C 0.7172(5) 1.0334(3) 0.9810(3) 0.0443(12) Uani 1 1 d . . . . .
C6 C 0.6902(5) 1.0373(3) 0.9101(3) 0.0462(12) Uani 1 1 d . . . . .
H6 H 0.6406 1.0858 0.8768 0.055 Uiso 1 1 calc R U . . .
C7 C 0.7373(5) 0.9681(3) 0.8878(3) 0.0359(11) Uani 1 1 d . . . . .
C8 C 0.7238(4) 0.9519(3) 0.8195(2) 0.0313(10) Uani 1 1 d . . . . .
C9 C 0.6525(4) 1.0053(3) 0.7549(3) 0.0344(10) Uani 1 1 d . . . . .
C10 C 0.6116(5) 0.9788(3) 0.6998(2) 0.0337(10) Uani 1 1 d . . . . .
C11 C 0.5159(5) 1.0283(3) 0.6427(3) 0.0403(11) Uani 1 1 d . . . . .
H11 H 0.4791 1.0851 0.6318 0.048 Uiso 1 1 calc R U . . .
C12 C 0.4898(5) 0.9766(3) 0.6081(3) 0.0405(12) Uani 1 1 d . . . . .
H12 H 0.4289 0.9909 0.5700 0.049 Uiso 1 1 calc R U . . .
C13 C 0.5719(4) 0.8956(3) 0.6398(2) 0.0340(10) Uani 1 1 d . . . . .
C14 C 0.5845(4) 0.8259(3) 0.6163(2) 0.0341(10) Uani 1 1 d . . . . .
C15 C 0.4745(5) 0.8100(3) 0.5750(3) 0.0361(11) Uani 1 1 d . . . . .
C16 C 0.3315(5) 0.8374(3) 0.5847(3) 0.0409(11) Uani 1 1 d . . . . .
H16 H 0.3062 0.8667 0.6164 0.049 Uiso 1 1 calc R U . . .
C17 C 0.2269(5) 0.8214(3) 0.5479(3) 0.0521(14) Uani 1 1 d . . . . .
H17 H 0.1332 0.8409 0.5546 0.063 Uiso 1 1 calc R U . . .
C18 C 0.2615(5) 0.7765(3) 0.5011(3) 0.0515(14) Uani 1 1 d . . . . .
H18 H 0.1918 0.7678 0.4752 0.062 Uiso 1 1 calc R U . . .
C19 C 0.4004(5) 0.7447(3) 0.4929(3) 0.0454(12) Uani 1 1 d . . . . .
H19 H 0.4234 0.7137 0.4624 0.054 Uiso 1 1 calc R U . . .
C20 C 0.5060(5) 0.7597(3) 0.5309(3) 0.0369(11) Uani 1 1 d . . . . .
C21 C 0.6570(5) 0.7212(3) 0.5226(2) 0.0369(11) Uani 1 1 d . . . . .
C22 C 0.7379(5) 0.7097(3) 0.5907(2) 0.0343(10) Uani 1 1 d . . . . .
C23 C 0.8628(4) 0.6651(3) 0.6158(2) 0.0321(10) Uani 1 1 d . . . . .
C24 C 0.9447(5) 0.5894(3) 0.6032(3) 0.0373(11) Uani 1 1 d . . . . .
C25 C 1.0904(5) 0.5711(3) 0.6347(3) 0.0384(11) Uani 1 1 d . . . . .
C26 C 1.1949(5) 0.5238(3) 0.6082(3) 0.0457(12) Uani 1 1 d . . . . .
H26 H 1.1726 0.5010 0.5746 0.055 Uiso 1 1 calc R U . . .
C27 C 1.3296(5) 0.5102(3) 0.6305(3) 0.0525(13) Uani 1 1 d . . . . .
H27 H 1.3977 0.4774 0.6134 0.063 Uiso 1 1 calc R U . . .
C28 C 1.3628(5) 0.5466(3) 0.6797(3) 0.0516(14) Uani 1 1 d . . . . .
H28 H 1.4553 0.5403 0.6931 0.062 Uiso 1 1 calc R U . . .
C29 C 1.2606(5) 0.5918(3) 0.7085(3) 0.0422(12) Uani 1 1 d . . . . .
H29 H 1.2859 0.6153 0.7411 0.051 Uiso 1 1 calc R U . . .
C30 C 1.1191(4) 0.6031(3) 0.6898(3) 0.0363(11) Uani 1 1 d . . . . .
C31 C 1.0101(4) 0.6535(3) 0.7196(3) 0.0338(10) Uani 1 1 d . . . . .
C32 C 0.8972(4) 0.6921(3) 0.6732(2) 0.0313(10) Uani 1 1 d . . . . .
C33 C 0.7019(4) 0.7649(3) 0.6307(2) 0.0321(10) Uani 1 1 d . . . . .
C34 C 1.0174(5) 0.6600(3) 0.7905(3) 0.0366(11) Uani 1 1 d . . . . .
C35 C 1.0841(5) 0.5973(3) 0.8570(3) 0.0449(12) Uani 1 1 d . . . . .
H35 H 1.1422 0.5491 0.8589 0.054 Uiso 1 1 calc R U . . .
C36 C 1.0466(5) 0.6218(3) 0.9155(3) 0.0449(12) Uani 1 1 d . . . . .
H36 H 1.0716 0.5921 0.9658 0.054 Uiso 1 1 calc R U . . .
C37 C 0.9613(4) 0.7015(3) 0.8870(3) 0.0348(11) Uani 1 1 d . . . . .
C38 C 0.9102(4) 0.7509(3) 0.9301(3) 0.0363(11) Uani 1 1 d . . . . .
C39 C 0.8500(5) 0.9622(4) 1.1002(3) 0.0533(14) Uani 1 1 d . . . . .
C40 C 0.9431(7) 0.8714(5) 1.2176(4) 0.100(2) Uani 1 1 d . . . . .
H40A H 1.0313 0.9033 1.1990 0.150 Uiso 1 1 calc R U . . .
H40B H 0.9627 0.8099 1.2490 0.150 Uiso 1 1 calc R U . . .
H40C H 0.8814 0.8955 1.2483 0.150 Uiso 1 1 calc R U . . .
C41 C 0.6450(6) 1.0996(4) 1.0090(4) 0.0576(14) Uani 1 1 d . . . . .
C42 C 0.5449(8) 1.2427(5) 0.9693(5) 0.117(3) Uani 1 1 d . . . . .
H42A H 0.4480 1.2224 0.9853 0.175 Uiso 1 1 calc R U . . .
H42B H 0.5474 1.2988 0.9244 0.175 Uiso 1 1 calc R U . . .
H42C H 0.5806 1.2494 1.0110 0.175 Uiso 1 1 calc R U . . .
C43 C 0.6141(5) 1.0991(3) 0.7432(3) 0.0363(11) Uani 1 1 d . . . . .
C44 C 0.4768(5) 1.1237(3) 0.7641(3) 0.0560(14) Uani 1 1 d . . . . .
H44 H 0.4047 1.0819 0.7855 0.067 Uiso 1 1 calc R U . . .
C45 C 0.4467(6) 1.2110(4) 0.7529(4) 0.078(2) Uani 1 1 d . . . . .
H45 H 0.3543 1.2275 0.7665 0.093 Uiso 1 1 calc R U . . .
C46 C 0.5538(7) 1.2731(3) 0.7218(4) 0.0734(19) Uani 1 1 d . . . . .
H46 H 0.5344 1.3308 0.7163 0.088 Uiso 1 1 calc R U . . .
C47 C 0.6896(7) 1.2496(3) 0.6989(3) 0.0619(16) Uani 1 1 d . . . . .
H47 H 0.7610 1.2918 0.6760 0.074 Uiso 1 1 calc R U . . .
C48 C 0.7189(5) 1.1634(3) 0.7101(3) 0.0471(13) Uani 1 1 d . . . . .
H48 H 0.8109 1.1477 0.6951 0.056 Uiso 1 1 calc R U . . .
C49 C 0.7418(5) 0.7858(4) 0.4501(3) 0.0511(13) Uani 1 1 d . . . . .
C50 C 0.6492(5) 0.6372(4) 0.5143(3) 0.0475(12) Uani 1 1 d . . . . .
C51 C 0.9724(5) 0.6099(3) 0.5173(3) 0.0475(12) Uani 1 1 d . . . . .
C52 C 0.8552(6) 0.5089(3) 0.6449(3) 0.0495(13) Uani 1 1 d . . . . .
C53 C 0.9344(5) 0.7119(3) 1.0142(3) 0.0412(12) Uani 1 1 d . . . . .
C54 C 1.0628(6) 0.7187(4) 1.0379(3) 0.0701(18) Uani 1 1 d . . . . .
H54 H 1.1402 0.7453 1.0009 0.084 Uiso 1 1 calc R U . . .
C55 C 1.0776(8) 0.6863(5) 1.1168(4) 0.095(2) Uani 1 1 d . . . . .
H55 H 1.1647 0.6911 1.1321 0.114 Uiso 1 1 calc R U . . .
C56 C 0.9638(10) 0.6471(5) 1.1720(4) 0.094(2) Uani 1 1 d . . . . .
H56 H 0.9740 0.6267 1.2246 0.113 Uiso 1 1 calc R U . . .
C57 C 0.8364(9) 0.6380(4) 1.1506(4) 0.083(2) Uani 1 1 d . . . . .
H57 H 0.7600 0.6108 1.1882 0.100 Uiso 1 1 calc R U . . .
C58 C 0.8216(6) 0.6703(3) 1.0709(3) 0.0575(14) Uani 1 1 d . . . . .
H58 H 0.7351 0.6637 1.0560 0.069 Uiso 1 1 calc R U . . .
C59 C 0.9834(7) 0.9910(4) 0.6121(4) 0.088(2) Uani 1 1 d . . . . .
H59A H 0.9126 0.9882 0.5818 0.131 Uiso 1 1 calc R U . . .
H59B H 1.0743 1.0055 0.5804 0.131 Uiso 1 1 calc R U . . .
H59C H 0.9558 1.0358 0.6304 0.131 Uiso 1 1 calc R U . . .
C60 C 0.6458(9) 0.5850(6) 0.8676(5) 0.120(3) Uani 1 1 d . . . . .
H60 H 0.7335 0.6103 0.8328 0.144 Uiso 1 1 calc R U . A 1
C61 C 0.2720(7) 0.8418(5) 0.8003(4) 0.084(2) Uani 1 1 d . . . . .
H61A H 0.3573 0.8671 0.8040 0.126 Uiso 1 1 calc R U . . .
H61B H 0.2937 0.8148 0.7648 0.126 Uiso 1 1 calc R U . . .
H61C H 0.2366 0.7977 0.8508 0.126 Uiso 1 1 calc R U . . .
N1 N 0.7862(4) 0.8707(2) 0.8299(2) 0.0338(9) Uani 1 1 d . . . . .
N2 N 0.9408(4) 0.7223(2) 0.8116(2) 0.0358(9) Uani 1 1 d . . . . .
N3 N 0.7998(4) 0.7535(2) 0.6812(2) 0.0346(9) Uani 1 1 d . . . . .
N4 N 0.6472(4) 0.8997(2) 0.6953(2) 0.0344(9) Uani 1 1 d . . . . .
N5 N 0.8054(6) 0.8369(4) 0.3977(3) 0.0869(17) Uani 1 1 d . . . . .
N6 N 0.6413(5) 0.5725(3) 0.5093(3) 0.0724(15) Uani 1 1 d . . . . .
N7 N 0.9934(5) 0.6285(4) 0.4523(3) 0.0737(15) Uani 1 1 d . . . . .
N8 N 0.7860(6) 0.4492(3) 0.6822(3) 0.0818(16) Uani 1 1 d . . . . .
Cl1 Cl 0.5373(11) 0.6687(4) 0.8631(6) 0.196(4) Uani 0.651(14) 1 d . . P B 1
Cl2 Cl 0.6935(10) 0.5218(7) 0.9531(6) 0.249(6) Uani 0.651(14) 1 d . . P B 1
Cl3 Cl 0.574(2) 0.5190(7) 0.8332(6) 0.294(7) Uani 0.651(14) 1 d . . P B 1
Cl1A Cl 0.6704(19) 0.5130(10) 0.8340(13) 0.232(10) Uani 0.349(14) 1 d . . P B 2
Cl3A Cl 0.6672(15) 0.5548(16) 0.9580(6) 0.218(9) Uani 0.349(14) 1 d . . P B 2
Cl2A Cl 0.4811(15) 0.6360(12) 0.8508(10) 0.200(7) Uani 0.349(14) 1 d . . P B 2
O1 O 0.8737(4) 0.8797(3) 1.1520(2) 0.0705(11) Uani 1 1 d . . . . .
O2 O 0.8766(4) 1.0271(3) 1.1076(2) 0.0749(12) Uani 1 1 d . . . . .
O3 O 0.5954(4) 1.0848(3) 1.0741(3) 0.0800(13) Uani 1 1 d . . . . .
O4 O 0.6336(5) 1.1784(3) 0.9499(3) 0.0832(13) Uani 1 1 d . . . . .
O5 O 0.9943(3) 0.9075(2) 0.67680(19) 0.0545(9) Uani 1 1 d . . . . .
O6 O 0.1683(5) 0.9083(4) 0.7734(3) 0.0956(15) Uani 1 1 d . . . . .
H6A H 0.1595 0.9368 0.7995 0.143 Uiso 1 1 calc R U . . .
Zn1 Zn 0.81784(5) 0.82423(3) 0.74459(3) 0.03396(18) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.374(5) . ?
C1 C38 1.417(6) . ?
C1 C2 1.469(6) . ?
C2 C7 1.396(6) . ?
C2 C3 1.407(6) . ?
C3 C4 1.393(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.411(6) . ?
C4 C39 1.511(7) . ?
C5 C6 1.391(7) . ?
C5 C41 1.507(7) . ?
C6 C7 1.418(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.468(6) . ?
C8 N1 1.382(5) . ?
C8 C9 1.405(6) . ?
C9 C10 1.416(6) . ?
C9 C43 1.507(6) . ?
C10 N4 1.374(5) . ?
C10 C11 1.444(6) . ?
C11 C12 1.347(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.439(6) . ?
C12 H12 0.9300 . ?
C13 N4 1.385(5) . ?
C13 C14 1.410(6) . ?
C14 C33 1.421(6) . ?
C14 C15 1.491(6) . ?
C15 C16 1.405(6) . ?
C15 C20 1.419(6) . ?
C16 C17 1.392(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.390(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.391(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.407(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.534(6) . ?
C21 C50 1.488(7) . ?
C21 C49 1.503(7) . ?
C21 C22 1.537(6) . ?
C22 C23 1.376(6) . ?
C22 C33 1.430(6) . ?
C23 C32 1.437(6) . ?
C23 C24 1.522(6) . ?
C24 C52 1.489(7) . ?
C24 C51 1.518(7) . ?
C24 C25 1.536(6) . ?
C25 C26 1.394(6) . ?
C25 C30 1.437(6) . ?
C26 C27 1.369(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.400(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.380(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.409(6) . ?
C29 H29 0.9300 . ?
C30 C31 1.487(6) . ?
C31 C32 1.418(5) . ?
C31 C34 1.419(6) . ?
C32 N3 1.370(5) . ?
C33 N3 1.375(5) . ?
C34 N2 1.392(6) . ?
C34 C35 1.447(6) . ?
C35 C36 1.346(7) . ?
C35 H35 0.9300 . ?
C36 C37 1.434(6) . ?
C36 H36 0.9300 . ?
C37 N2 1.371(5) . ?
C37 C38 1.419(6) . ?
C38 C53 1.500(6) . ?
C39 O2 1.200(6) . ?
C39 O1 1.331(6) . ?
C40 O1 1.447(6) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 O3 1.194(7) . ?
C41 O4 1.327(7) . ?
C42 O4 1.454(7) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 C44 1.387(7) . ?
C43 C48 1.389(6) . ?
C44 C45 1.393(7) . ?
C44 H44 0.9300 . ?
C45 C46 1.380(8) . ?
C45 H45 0.9300 . ?
C46 C47 1.381(8) . ?
C46 H46 0.9300 . ?
C47 C48 1.374(6) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 N5 1.125(6) . ?
C50 N6 1.133(6) . ?
C51 N7 1.137(6) . ?
C52 N8 1.132(6) . ?
C53 C54 1.380(7) . ?
C53 C58 1.390(7) . ?
C54 C55 1.393(8) . ?
C54 H54 0.9300 . ?
C55 C56 1.375(10) . ?
C55 H55 0.9300 . ?
C56 C57 1.362(10) . ?
C56 H56 0.9300 . ?
C57 C58 1.408(8) . ?
C57 H57 0.9300 . ?
C58 H58 0.9300 . ?
C59 O5 1.421(6) . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 Cl1A 1.580(17) . ?
C60 Cl3A 1.622(13) . ?
C60 Cl2 1.627(11) . ?
C60 Cl1 1.649(11) . ?
C60 Cl2A 1.718(15) . ?
C60 Cl3 1.725(13) . ?
C60 H60 0.9800 . ?
C61 O6 1.394(7) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
N1 Zn1 2.069(4) . ?
N2 Zn1 2.034(3) . ?
N3 Zn1 2.055(4) . ?
N4 Zn1 2.043(3) . ?
O5 Zn1 2.139(3) . ?
O6 H6A 0.8200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C38 123.4(4) . . ?
N1 C1 C2 109.8(3) . . ?
C38 C1 C2 126.8(4) . . ?
C7 C2 C3 120.1(4) . . ?
C7 C2 C1 106.1(4) . . ?
C3 C2 C1 133.7(4) . . ?
C4 C3 C2 120.3(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.1(4) . . ?
C3 C4 C39 118.9(4) . . ?
C5 C4 C39 120.6(5) . . ?
C6 C5 C4 119.3(4) . . ?
C6 C5 C41 119.4(5) . . ?
C4 C5 C41 120.6(5) . . ?
C5 C6 C7 120.9(4) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C2 C7 C6 119.1(4) . . ?
C2 C7 C8 106.9(4) . . ?
C6 C7 C8 133.9(4) . . ?
N1 C8 C9 123.3(4) . . ?
N1 C8 C7 109.1(3) . . ?
C9 C8 C7 127.5(4) . . ?
C8 C9 C10 125.9(4) . . ?
C8 C9 C43 117.5(4) . . ?
C10 C9 C43 116.6(3) . . ?
N4 C10 C9 126.1(4) . . ?
N4 C10 C11 108.9(4) . . ?
C9 C10 C11 124.8(4) . . ?
C12 C11 C10 106.9(4) . . ?
C12 C11 H11 126.5 . . ?
C10 C11 H11 126.5 . . ?
C11 C12 C13 108.6(4) . . ?
C11 C12 H12 125.7 . . ?
C13 C12 H12 125.7 . . ?
N4 C13 C14 124.6(4) . . ?
N4 C13 C12 107.9(4) . . ?
C14 C13 C12 127.4(4) . . ?
C13 C14 C33 122.7(4) . . ?
C13 C14 C15 122.5(4) . . ?
C33 C14 C15 114.8(4) . . ?
C16 C15 C20 117.3(4) . . ?
C16 C15 C14 120.6(4) . . ?
C20 C15 C14 121.8(4) . . ?
C17 C16 C15 121.3(5) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C18 C17 C16 120.5(5) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 119.9(4) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C20 119.7(5) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C19 C20 C15 121.0(4) . . ?
C19 C20 C21 118.3(4) . . ?
C15 C20 C21 120.7(4) . . ?
C50 C21 C49 107.7(4) . . ?
C50 C21 C20 110.2(4) . . ?
C49 C21 C20 109.2(4) . . ?
C50 C21 C22 112.5(4) . . ?
C49 C21 C22 106.1(4) . . ?
C20 C21 C22 110.9(4) . . ?
C23 C22 C33 106.8(4) . . ?
C23 C22 C21 132.2(4) . . ?
C33 C22 C21 119.9(4) . . ?
C22 C23 C32 105.9(4) . . ?
C22 C23 C24 132.2(4) . . ?
C32 C23 C24 121.0(4) . . ?
C52 C24 C51 109.4(4) . . ?
C52 C24 C23 107.4(4) . . ?
C51 C24 C23 111.2(4) . . ?
C52 C24 C25 109.3(4) . . ?
C51 C24 C25 107.4(4) . . ?
C23 C24 C25 112.1(4) . . ?
C26 C25 C30 120.6(4) . . ?
C26 C25 C24 118.9(4) . . ?
C30 C25 C24 120.5(4) . . ?
C27 C26 C25 121.4(5) . . ?
C27 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
C26 C27 C28 118.7(5) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
C29 C28 C27 121.2(5) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C28 C29 C30 121.5(5) . . ?
C28 C29 H29 119.2 . . ?
C30 C29 H29 119.2 . . ?
C29 C30 C25 116.2(4) . . ?
C29 C30 C31 121.4(4) . . ?
C25 C30 C31 122.1(4) . . ?
C32 C31 C34 122.9(4) . . ?
C32 C31 C30 115.0(4) . . ?
C34 C31 C30 122.1(4) . . ?
N3 C32 C31 125.2(4) . . ?
N3 C32 C23 111.1(3) . . ?
C31 C32 C23 123.5(4) . . ?
N3 C33 C14 125.6(4) . . ?
N3 C33 C22 110.7(4) . . ?
C14 C33 C22 123.6(4) . . ?
N2 C34 C31 124.1(4) . . ?
N2 C34 C35 108.2(4) . . ?
C31 C34 C35 127.1(4) . . ?
C36 C35 C34 107.3(4) . . ?
C36 C35 H35 126.3 . . ?
C34 C35 H35 126.3 . . ?
C35 C36 C37 108.2(4) . . ?
C35 C36 H36 125.9 . . ?
C37 C36 H36 125.9 . . ?
N2 C37 C38 126.3(4) . . ?
N2 C37 C36 108.8(4) . . ?
C38 C37 C36 124.8(4) . . ?
C1 C38 C37 126.0(4) . . ?
C1 C38 C53 116.6(4) . . ?
C37 C38 C53 117.4(4) . . ?
O2 C39 O1 123.7(5) . . ?
O2 C39 C4 126.3(5) . . ?
O1 C39 C4 110.0(5) . . ?
O1 C40 H40A 109.5 . . ?
O1 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
O1 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O3 C41 O4 122.4(6) . . ?
O3 C41 C5 126.6(6) . . ?
O4 C41 C5 110.8(5) . . ?
O4 C42 H42A 109.5 . . ?
O4 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
O4 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C48 118.6(4) . . ?
C44 C43 C9 122.2(4) . . ?
C48 C43 C9 119.2(4) . . ?
C43 C44 C45 120.1(5) . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C46 C45 C44 120.1(5) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C45 C46 C47 120.0(5) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
C48 C47 C46 119.7(5) . . ?
C48 C47 H47 120.2 . . ?
C46 C47 H47 120.2 . . ?
C47 C48 C43 121.4(5) . . ?
C47 C48 H48 119.3 . . ?
C43 C48 H48 119.3 . . ?
N5 C49 C21 176.6(6) . . ?
N6 C50 C21 178.6(6) . . ?
N7 C51 C24 177.5(6) . . ?
N8 C52 C24 173.9(6) . . ?
C54 C53 C58 118.4(5) . . ?
C54 C53 C38 122.7(4) . . ?
C58 C53 C38 118.9(4) . . ?
C53 C54 C55 120.6(6) . . ?
C53 C54 H54 119.7 . . ?
C55 C54 H54 119.7 . . ?
C56 C55 C54 120.2(6) . . ?
C56 C55 H55 119.9 . . ?
C54 C55 H55 119.9 . . ?
C57 C56 C55 120.6(6) . . ?
C57 C56 H56 119.7 . . ?
C55 C56 H56 119.7 . . ?
C56 C57 C58 119.2(6) . . ?
C56 C57 H57 120.4 . . ?
C58 C57 H57 120.4 . . ?
C53 C58 C57 120.9(6) . . ?
C53 C58 H58 119.5 . . ?
C57 C58 H58 119.5 . . ?
O5 C59 H59A 109.5 . . ?
O5 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
O5 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
Cl1A C60 Cl3A 118.1(12) . . ?
Cl2 C60 Cl1 115.7(8) . . ?
Cl1A C60 Cl2A 110.9(10) . . ?
Cl3A C60 Cl2A 109.0(11) . . ?
Cl2 C60 Cl3 108.3(8) . . ?
Cl1 C60 Cl3 111.2(7) . . ?
Cl2 C60 H60 107.1 . . ?
Cl1 C60 H60 107.1 . . ?
Cl3 C60 H60 107.1 . . ?
O6 C61 H61A 109.5 . . ?
O6 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
O6 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C1 N1 C8 108.1(3) . . ?
C1 N1 Zn1 127.4(3) . . ?
C8 N1 Zn1 124.1(3) . . ?
C37 N2 C34 107.3(3) . . ?
C37 N2 Zn1 125.9(3) . . ?
C34 N2 Zn1 126.7(3) . . ?
C32 N3 C33 105.5(3) . . ?
C32 N3 Zn1 125.5(3) . . ?
C33 N3 Zn1 128.5(3) . . ?
C10 N4 C13 107.6(3) . . ?
C10 N4 Zn1 121.5(3) . . ?
C13 N4 Zn1 129.2(3) . . ?
C39 O1 C40 115.9(5) . . ?
C41 O4 C42 114.7(6) . . ?
C59 O5 Zn1 125.1(3) . . ?
C61 O6 H6A 109.5 . . ?
N2 Zn1 N4 162.82(14) . . ?
N2 Zn1 N3 87.49(13) . . ?
N4 Zn1 N3 87.61(13) . . ?
N2 Zn1 N1 90.29(14) . . ?
N4 Zn1 N1 89.50(13) . . ?
N3 Zn1 N1 162.66(14) . . ?
N2 Zn1 O5 95.13(14) . . ?
N4 Zn1 O5 101.97(13) . . ?
N3 Zn1 O5 100.89(14) . . ?
N1 Zn1 O5 96.43(14) . . ?

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
N1 C1 C2 C7 -0.6(5) . . . . ?
C38 C1 C2 C7 176.6(4) . . . . ?
N1 C1 C2 C3 -176.3(5) . . . . ?
C38 C1 C2 C3 0.9(8) . . . . ?
C7 C2 C3 C4 3.4(7) . . . . ?
C1 C2 C3 C4 178.6(4) . . . . ?
C2 C3 C4 C5 1.5(7) . . . . ?
C2 C3 C4 C39 -171.3(4) . . . . ?
C3 C4 C5 C6 -3.9(7) . . . . ?
C39 C4 C5 C6 168.7(4) . . . . ?
C3 C4 C5 C41 167.3(4) . . . . ?
C39 C4 C5 C41 -20.1(7) . . . . ?
C4 C5 C6 C7 1.6(7) . . . . ?
C41 C5 C6 C7 -169.7(4) . . . . ?
C3 C2 C7 C6 -5.7(7) . . . . ?
C1 C2 C7 C6 177.9(4) . . . . ?
C3 C2 C7 C8 177.8(4) . . . . ?
C1 C2 C7 C8 1.4(5) . . . . ?
C5 C6 C7 C2 3.2(7) . . . . ?
C5 C6 C7 C8 178.6(5) . . . . ?
C2 C7 C8 N1 -1.8(5) . . . . ?
C6 C7 C8 N1 -177.5(5) . . . . ?
C2 C7 C8 C9 174.5(4) . . . . ?
C6 C7 C8 C9 -1.2(8) . . . . ?
N1 C8 C9 C10 12.0(7) . . . . ?
C7 C8 C9 C10 -163.8(4) . . . . ?
N1 C8 C9 C43 -168.7(4) . . . . ?
C7 C8 C9 C43 15.5(7) . . . . ?
C8 C9 C10 N4 -7.1(7) . . . . ?
C43 C9 C10 N4 173.6(4) . . . . ?
C8 C9 C10 C11 167.8(4) . . . . ?
C43 C9 C10 C11 -11.5(7) . . . . ?
N4 C10 C11 C12 3.2(5) . . . . ?
C9 C10 C11 C12 -172.4(4) . . . . ?
C10 C11 C12 C13 -2.2(5) . . . . ?
C11 C12 C13 N4 0.6(5) . . . . ?
C11 C12 C13 C14 -175.1(4) . . . . ?
N4 C13 C14 C33 -17.6(7) . . . . ?
C12 C13 C14 C33 157.4(4) . . . . ?
N4 C13 C14 C15 161.7(4) . . . . ?
C12 C13 C14 C15 -23.2(7) . . . . ?
C13 C14 C15 C16 -26.0(6) . . . . ?
C33 C14 C15 C16 153.3(4) . . . . ?
C13 C14 C15 C20 160.1(4) . . . . ?
C33 C14 C15 C20 -20.5(6) . . . . ?
C20 C15 C16 C17 -4.6(6) . . . . ?
C14 C15 C16 C17 -178.7(4) . . . . ?
C15 C16 C17 C18 0.9(7) . . . . ?
C16 C17 C18 C19 2.1(7) . . . . ?
C17 C18 C19 C20 -1.3(7) . . . . ?
C18 C19 C20 C15 -2.6(7) . . . . ?
C18 C19 C20 C21 178.1(4) . . . . ?
C16 C15 C20 C19 5.4(6) . . . . ?
C14 C15 C20 C19 179.4(4) . . . . ?
C16 C15 C20 C21 -175.3(4) . . . . ?
C14 C15 C20 C21 -1.3(6) . . . . ?
C19 C20 C21 C50 -31.5(5) . . . . ?
C15 C20 C21 C50 149.3(4) . . . . ?
C19 C20 C21 C49 86.6(5) . . . . ?
C15 C20 C21 C49 -92.6(5) . . . . ?
C19 C20 C21 C22 -156.8(4) . . . . ?
C15 C20 C21 C22 23.9(5) . . . . ?
C50 C21 C22 C23 43.2(6) . . . . ?
C49 C21 C22 C23 -74.3(6) . . . . ?
C20 C21 C22 C23 167.3(4) . . . . ?
C50 C21 C22 C33 -150.5(4) . . . . ?
C49 C21 C22 C33 91.9(5) . . . . ?
C20 C21 C22 C33 -26.5(5) . . . . ?
C33 C22 C23 C32 2.1(5) . . . . ?
C21 C22 C23 C32 169.6(4) . . . . ?
C33 C22 C23 C24 171.2(4) . . . . ?
C21 C22 C23 C24 -21.2(8) . . . . ?
C22 C23 C24 C52 -67.6(6) . . . . ?
C32 C23 C24 C52 100.2(5) . . . . ?
C22 C23 C24 C51 52.0(6) . . . . ?
C32 C23 C24 C51 -140.2(4) . . . . ?
C22 C23 C24 C25 172.3(4) . . . . ?
C32 C23 C24 C25 -19.9(6) . . . . ?
C52 C24 C25 C26 79.9(5) . . . . ?
C51 C24 C25 C26 -38.7(5) . . . . ?
C23 C24 C25 C26 -161.2(4) . . . . ?
C52 C24 C25 C30 -100.9(5) . . . . ?
C51 C24 C25 C30 140.5(4) . . . . ?
C23 C24 C25 C30 18.1(6) . . . . ?
C30 C25 C26 C27 -3.3(7) . . . . ?
C24 C25 C26 C27 175.9(4) . . . . ?
C25 C26 C27 C28 -1.4(7) . . . . ?
C26 C27 C28 C29 3.1(7) . . . . ?
C27 C28 C29 C30 0.0(7) . . . . ?
C28 C29 C30 C25 -4.6(6) . . . . ?
C28 C29 C30 C31 -178.6(4) . . . . ?
C26 C25 C30 C29 6.2(6) . . . . ?
C24 C25 C30 C29 -173.0(4) . . . . ?
C26 C25 C30 C31 -179.8(4) . . . . ?
C24 C25 C30 C31 1.0(6) . . . . ?
C29 C30 C31 C32 154.2(4) . . . . ?
C25 C30 C31 C32 -19.5(6) . . . . ?
C29 C30 C31 C34 -27.5(6) . . . . ?
C25 C30 C31 C34 158.8(4) . . . . ?
C34 C31 C32 N3 13.7(7) . . . . ?
C30 C31 C32 N3 -168.0(4) . . . . ?
C34 C31 C32 C23 -160.3(4) . . . . ?
C30 C31 C32 C23 18.1(6) . . . . ?
C22 C23 C32 N3 -2.0(5) . . . . ?
C24 C23 C32 N3 -172.7(4) . . . . ?
C22 C23 C32 C31 172.7(4) . . . . ?
C24 C23 C32 C31 2.0(6) . . . . ?
C13 C14 C33 N3 14.0(7) . . . . ?
C15 C14 C33 N3 -165.3(4) . . . . ?
C13 C14 C33 C22 -162.7(4) . . . . ?
C15 C14 C33 C22 18.0(6) . . . . ?
C23 C22 C33 N3 -1.5(5) . . . . ?
C21 C22 C33 N3 -170.9(4) . . . . ?
C23 C22 C33 C14 175.6(4) . . . . ?
C21 C22 C33 C14 6.2(6) . . . . ?
C32 C31 C34 N2 -18.0(7) . . . . ?
C30 C31 C34 N2 163.8(4) . . . . ?
C32 C31 C34 C35 151.5(5) . . . . ?
C30 C31 C34 C35 -26.7(7) . . . . ?
N2 C34 C35 C36 0.5(5) . . . . ?
C31 C34 C35 C36 -170.3(4) . . . . ?
C34 C35 C36 C37 -2.3(5) . . . . ?
C35 C36 C37 N2 3.4(5) . . . . ?
C35 C36 C37 C38 -175.3(4) . . . . ?
N1 C1 C38 C37 9.0(7) . . . . ?
C2 C1 C38 C37 -167.8(4) . . . . ?
N1 C1 C38 C53 -169.7(4) . . . . ?
C2 C1 C38 C53 13.5(6) . . . . ?
N2 C37 C38 C1 -3.8(7) . . . . ?
C36 C37 C38 C1 174.7(4) . . . . ?
N2 C37 C38 C53 175.0(4) . . . . ?
C36 C37 C38 C53 -6.6(7) . . . . ?
C3 C4 C39 O2 146.8(6) . . . . ?
C5 C4 C39 O2 -25.9(8) . . . . ?
C3 C4 C39 O1 -29.3(6) . . . . ?
C5 C4 C39 O1 158.0(4) . . . . ?
C6 C5 C41 O3 139.3(6) . . . . ?
C4 C5 C41 O3 -31.9(8) . . . . ?
C6 C5 C41 O4 -36.4(6) . . . . ?
C4 C5 C41 O4 152.4(5) . . . . ?
C8 C9 C43 C44 -100.9(5) . . . . ?
C10 C9 C43 C44 78.4(6) . . . . ?
C8 C9 C43 C48 79.4(6) . . . . ?
C10 C9 C43 C48 -101.2(5) . . . . ?
C48 C43 C44 C45 -1.1(8) . . . . ?
C9 C43 C44 C45 179.3(5) . . . . ?
C43 C44 C45 C46 -0.6(9) . . . . ?
C44 C45 C46 C47 2.5(10) . . . . ?
C45 C46 C47 C48 -2.6(9) . . . . ?
C46 C47 C48 C43 0.8(8) . . . . ?
C44 C43 C48 C47 1.0(7) . . . . ?
C9 C43 C48 C47 -179.3(4) . . . . ?
C1 C38 C53 C54 -99.8(6) . . . . ?
C37 C38 C53 C54 81.4(6) . . . . ?
C1 C38 C53 C58 77.6(6) . . . . ?
C37 C38 C53 C58 -101.3(5) . . . . ?
C58 C53 C54 C55 -1.3(9) . . . . ?
C38 C53 C54 C55 176.0(6) . . . . ?
C53 C54 C55 C56 -0.2(11) . . . . ?
C54 C55 C56 C57 1.3(12) . . . . ?
C55 C56 C57 C58 -0.9(11) . . . . ?
C54 C53 C58 C57 1.7(8) . . . . ?
C38 C53 C58 C57 -175.7(5) . . . . ?
C56 C57 C58 C53 -0.7(9) . . . . ?
C38 C1 N1 C8 -177.8(4) . . . . ?
C2 C1 N1 C8 -0.5(5) . . . . ?
C38 C1 N1 Zn1 -4.7(6) . . . . ?
C2 C1 N1 Zn1 172.6(3) . . . . ?
C9 C8 N1 C1 -175.1(4) . . . . ?
C7 C8 N1 C1 1.4(5) . . . . ?
C9 C8 N1 Zn1 11.5(6) . . . . ?
C7 C8 N1 Zn1 -172.0(3) . . . . ?
C38 C37 N2 C34 175.7(4) . . . . ?
C36 C37 N2 C34 -3.0(5) . . . . ?
C38 C37 N2 Zn1 -5.4(6) . . . . ?
C36 C37 N2 Zn1 176.0(3) . . . . ?
C31 C34 N2 C37 172.7(4) . . . . ?
C35 C34 N2 C37 1.6(5) . . . . ?
C31 C34 N2 Zn1 -6.2(6) . . . . ?
C35 C34 N2 Zn1 -177.4(3) . . . . ?
C31 C32 N3 C33 -173.6(4) . . . . ?
C23 C32 N3 C33 1.0(5) . . . . ?
C31 C32 N3 Zn1 14.2(6) . . . . ?
C23 C32 N3 Zn1 -171.2(3) . . . . ?
C14 C33 N3 C32 -176.8(4) . . . . ?
C22 C33 N3 C32 0.3(5) . . . . ?
C14 C33 N3 Zn1 -4.8(6) . . . . ?
C22 C33 N3 Zn1 172.3(3) . . . . ?
C9 C10 N4 C13 172.8(4) . . . . ?
C11 C10 N4 C13 -2.8(5) . . . . ?
C9 C10 N4 Zn1 -20.6(6) . . . . ?
C11 C10 N4 Zn1 163.9(3) . . . . ?
C14 C13 N4 C10 177.2(4) . . . . ?
C12 C13 N4 C10 1.4(5) . . . . ?
C14 C13 N4 Zn1 12.0(6) . . . . ?
C12 C13 N4 Zn1 -163.9(3) . . . . ?
O2 C39 O1 C40 -3.6(8) . . . . ?
C4 C39 O1 C40 172.6(5) . . . . ?
O3 C41 O4 C42 -5.6(8) . . . . ?
C5 C41 O4 C42 170.4(5) . . . . ?

_refine_diff_density_max         0.534
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.083



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Chloroform/Methanol'
_chemical_properties_physical    Heat-sensitive,Light-sensitive
