# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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 
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data_MT7-058_XW383
_database_code_depnum_ccdc_archive 'CCDC 2219213'
loop_
_audit_author_name
_audit_author_address
'Xiqu Wang'
;University of Houston
United States of America
;
_audit_update_record             
;
2022-11-11 deposited with the CCDC.	2023-06-06 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H58 Cl8 N8 O2 Zn2'
_chemical_formula_weight         1217.38
_chemical_absolute_configuration rm
_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'
Cl Cl 0.3639 0.7018 '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'
H H 0.0000 0.0000 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   11.8551(4)
_cell_length_b                   11.8538(4)
_cell_length_c                   38.9071(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5467.5(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9864
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      65.78
_cell_measurement_theta_min      3.90
_shelx_estimated_absorpt_T_max   0.824
_shelx_estimated_absorpt_T_min   0.332
_exptl_absorpt_coefficient_mu    5.050
_exptl_absorpt_correction_T_max  0.7527
_exptl_absorpt_correction_T_min  0.4667
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2504
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            55221
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        66.110
_diffrn_reflns_theta_max         66.110
_diffrn_reflns_theta_min         1.135
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'narrow frame omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.787
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                9395
_reflns_number_total             9444
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX4'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018 (Sheldrick, 2018)'
_refine_diff_density_max         0.618
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.068
_refine_ls_abs_structure_details 
;
 Twinning involves inversion, so Flack parameter cannot be determined
;
_refine_ls_abs_structure_Flack   ?
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     671
_refine_ls_number_reflns         9444
_refine_ls_number_restraints     624
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0400
_refine_ls_restrained_S_all      1.055
_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)+(0.0758P)²+2.3434P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1118
_refine_ls_wR_factor_ref         0.1119
_refine_special_details          
;
 Refined as a 4-component inversion twin.
;
_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_1 Zn 0.26010(7) 0.84997(9) 0.68697(2) 0.0446(2) Uani 1 1 d . . . . .
Zn2_1 Zn 0.63400(9) 0.50418(9) 0.55920(2) 0.0482(3) Uani 1 1 d . . . . .
O1_1 O 0.3262(4) 0.7536(4) 0.65281(11) 0.0403(11) Uani 1 1 d . . . . .
O2_1 O 0.5330(4) 0.5606(4) 0.59453(11) 0.0365(9) Uani 1 1 d . . . . .
N1_1 N 0.0940(5) 0.8506(6) 0.66513(18) 0.0491(14) Uani 1 1 d . . . . .
N2_1 N 0.0829(5) 0.9009(5) 0.63361(17) 0.0433(13) Uani 1 1 d . . . . .
N3_1 N 0.2935(5) 0.9910(6) 0.65656(15) 0.0464(14) Uani 1 1 d . . . . .
N4_1 N 0.2582(5) 0.9904(6) 0.62300(14) 0.0427(12) Uani 1 1 d . . . . .
N5_1 N 0.7681(5) 0.4826(6) 0.62410(19) 0.0516(14) Uani 1 1 d . . . . .
N6_1 N 0.7730(5) 0.5274(6) 0.5916(2) 0.0554(16) Uani 1 1 d . . . . .
N7_1 N 0.6262(5) 0.3365(5) 0.57593(13) 0.0406(12) Uani 1 1 d . . . . .
N8_1 N 0.6697(4) 0.3137(5) 0.60726(13) 0.0331(10) Uani 1 1 d . . . . .
C1_1 C -0.0078(6) 0.8412(8) 0.6773(3) 0.060(2) Uani 1 1 d . . . . .
C2_1 C -0.0863(7) 0.8861(8) 0.6543(3) 0.063(2) Uani 1 1 d . . . . .
H2_1 H -0.165665 0.890350 0.657385 0.076 Uiso 1 1 calc R U . . .
C3_1 C -0.0262(6) 0.9229(7) 0.6265(2) 0.0534(18) Uani 1 1 d . . . . .
C4_1 C 0.2952(7) 1.0850(7) 0.6056(2) 0.0528(17) Uani 1 1 d . . . . .
C5_1 C 0.3594(7) 1.1449(9) 0.6295(2) 0.0611(19) Uani 1 1 d . . . . .
H5_1 H 0.397894 1.214066 0.625691 0.073 Uiso 1 1 calc R U . . .
C6_1 C 0.3563(7) 1.0844(7) 0.6599(2) 0.0555(19) Uani 1 1 d . . . . .
C7_1 C -0.0277(11) 0.7929(11) 0.7125(4) 0.091(4) Uani 1 1 d . . . . .
H7A_1 H -0.101624 0.756023 0.713178 0.137 Uiso 1 1 calc R U . . .
H7B_1 H -0.025578 0.853705 0.729587 0.137 Uiso 1 1 calc R U . . .
H7C_1 H 0.031236 0.737525 0.717786 0.137 Uiso 1 1 calc R U . . .
C8_1 C -0.0651(7) 0.9780(8) 0.5947(3) 0.065(2) Uani 1 1 d . . . . .
H8A_1 H -0.035035 0.937387 0.574754 0.098 Uiso 1 1 calc R U . . .
H8B_1 H -0.038294 1.056239 0.594238 0.098 Uiso 1 1 calc R U . . .
H8C_1 H -0.147681 0.977137 0.593913 0.098 Uiso 1 1 calc R U . . .
C9_1 C 0.1784(6) 0.9072(6) 0.61013(19) 0.0411(14) Uani 1 1 d . . . . .
H9_1 H 0.147483 0.939946 0.588393 0.049 Uiso 1 1 calc R U . . .
C10_1 C 0.2225(5) 0.7924(6) 0.60040(15) 0.0324(12) Uani 1 1 d . . . . .
C11_1 C 0.2870(5) 0.7187(6) 0.62257(15) 0.0341(13) Uani 1 1 d . . . . .
C12_1 C 0.3134(5) 0.6102(6) 0.61155(14) 0.0307(12) Uani 1 1 d . . . . .
C13_1 C 0.2818(5) 0.5735(6) 0.57726(14) 0.0296(12) Uani 1 1 d . . . . .
C14_1 C 0.2234(5) 0.6468(6) 0.55581(15) 0.0340(12) Uani 1 1 d . . . . .
C15_1 C 0.1956(5) 0.7549(6) 0.56746(15) 0.0334(13) Uani 1 1 d . . . . .
H15_1 H 0.156845 0.804543 0.552359 0.040 Uiso 1 1 calc R U . . .
C16_1 C 0.2866(9) 0.8378(12) 0.7378(2) 0.082(3) Uani 1 1 d . . . . .
H16A_1 H 0.339915 0.897879 0.744771 0.098 Uiso 1 1 calc R U . . .
H16B_1 H 0.214331 0.852131 0.749824 0.098 Uiso 1 1 calc R U . . .
C17_1 C 0.3310(14) 0.7297(14) 0.7495(2) 0.107(5) Uani 1 1 d . . . . .
H17A_1 H 0.273478 0.671152 0.746498 0.161 Uiso 1 1 calc R U . . .
H17B_1 H 0.351367 0.735054 0.773876 0.161 Uiso 1 1 calc R U . . .
H17C_1 H 0.398057 0.710185 0.736034 0.161 Uiso 1 1 calc R U . . .
C18_1 C 0.2646(11) 1.1100(7) 0.5694(3) 0.069(2) Uani 1 1 d . . . . .
H18A_1 H 0.297033 1.052272 0.554276 0.104 Uiso 1 1 calc R U . . .
H18B_1 H 0.294377 1.184222 0.562940 0.104 Uiso 1 1 calc R U . . .
H18C_1 H 0.182350 1.110060 0.566956 0.104 Uiso 1 1 calc R U . . .
C19_1 C 0.4101(8) 1.1109(10) 0.6931(2) 0.069(3) Uani 1 1 d . . . . .
H19A_1 H 0.486669 1.139174 0.689109 0.104 Uiso 1 1 calc R U . . .
H19B_1 H 0.413678 1.042481 0.707257 0.104 Uiso 1 1 calc R U . . .
H19C_1 H 0.365859 1.168539 0.705132 0.104 Uiso 1 1 calc R U . . .
C20_1 C 0.3844(5) 0.5383(6) 0.63391(14) 0.0320(12) Uani 1 1 d . . . . .
C21_1 C 0.3444(5) 0.4997(7) 0.66587(15) 0.0383(13) Uani 1 1 d . . . . .
C22_1 C 0.4196(6) 0.4391(7) 0.68853(15) 0.0411(15) Uani 1 1 d . . . . .
C23_1 C 0.5286(6) 0.4134(7) 0.67598(15) 0.0392(15) Uani 1 1 d . . . . .
H23_1 H 0.578650 0.372046 0.690298 0.047 Uiso 1 1 calc R U . . .
C24_1 C 0.5647(5) 0.4453(6) 0.64439(15) 0.0360(13) Uani 1 1 d . . . . .
C25_1 C 0.4957(5) 0.5164(6) 0.62284(14) 0.0316(12) Uani 1 1 d . . . . .
C26_1 C 0.3069(6) 0.4639(6) 0.56507(16) 0.0365(13) Uani 1 1 d . . . . .
H26_1 H 0.343640 0.411340 0.579707 0.044 Uiso 1 1 calc R U . . .
C27_1 C 0.2784(6) 0.4331(6) 0.53232(16) 0.0381(14) Uani 1 1 d . . . . .
H27_1 H 0.297811 0.360259 0.524060 0.046 Uiso 1 1 calc R U . . .
C28_1 C 0.2212(7) 0.5079(6) 0.51109(15) 0.0426(15) Uani 1 1 d . . . . .
H28_1 H 0.201315 0.484632 0.488520 0.051 Uiso 1 1 calc R U . . .
C29_1 C 0.1928(6) 0.6133(6) 0.52166(15) 0.0365(13) Uani 1 1 d . . . . .
H29_1 H 0.153661 0.663533 0.506827 0.044 Uiso 1 1 calc R U . . .
C30_1 C 0.2316(6) 0.5179(8) 0.67789(16) 0.0513(19) Uani 1 1 d . . . . .
H30_1 H 0.178212 0.553544 0.663259 0.062 Uiso 1 1 calc R U . . .
C31_1 C 0.2001(8) 0.4853(12) 0.70967(19) 0.072(3) Uani 1 1 d . . . . .
H31_1 H 0.125680 0.501453 0.717296 0.087 Uiso 1 1 calc R U . . .
C32_1 C 0.2742(8) 0.4281(11) 0.73184(18) 0.074(3) Uani 1 1 d . . . . .
H32_1 H 0.250006 0.406348 0.754148 0.089 Uiso 1 1 calc R U . . .
C33_1 C 0.3792(7) 0.4045(9) 0.72134(17) 0.058(2) Uani 1 1 d . . . . .
H33_1 H 0.427971 0.363646 0.736170 0.070 Uiso 1 1 calc R U . . .
C34_1 C 0.6813(5) 0.3997(6) 0.63380(17) 0.0374(13) Uani 1 1 d . . . . .
H34_1 H 0.711436 0.359675 0.654479 0.045 Uiso 1 1 calc R U . . .
C35_1 C 0.8544(7) 0.5183(10) 0.6438(3) 0.074(2) Uani 1 1 d . . . . .
C36_1 C 0.9179(9) 0.5886(11) 0.6249(4) 0.089(3) Uani 1 1 d . . . . .
H36_1 H 0.984771 0.626467 0.631796 0.107 Uiso 1 1 calc R U . . .
C37_1 C 0.8639(8) 0.5942(8) 0.5925(4) 0.075(2) Uani 1 1 d . . . . .
C38_1 C 0.6078(6) 0.2397(7) 0.56104(18) 0.0446(15) Uani 1 1 d . . . . .
C39_1 C 0.6374(7) 0.1512(6) 0.58199(18) 0.0453(14) Uani 1 1 d . . . . .
H39_1 H 0.632681 0.072845 0.577074 0.054 Uiso 1 1 calc R U . . .
C40_1 C 0.6758(6) 0.2018(6) 0.61185(18) 0.0415(15) Uani 1 1 d . . . . .
C41_1 C 0.8761(9) 0.4822(16) 0.6787(3) 0.117(5) Uani 1 1 d . . . . .
H41A_1 H 0.918158 0.411028 0.678388 0.176 Uiso 1 1 calc R U . . .
H41B_1 H 0.804369 0.471304 0.690736 0.176 Uiso 1 1 calc R U . . .
H41C_1 H 0.920622 0.539924 0.690600 0.176 Uiso 1 1 calc R U . . .
C42_1 C 0.8957(9) 0.6567(11) 0.5596(4) 0.110(5) Uani 1 1 d . . . . .
H42A_1 H 0.842622 0.636587 0.541298 0.165 Uiso 1 1 calc R U . . .
H42B_1 H 0.972303 0.635359 0.552715 0.165 Uiso 1 1 calc R U . . .
H42C_1 H 0.892615 0.738211 0.563685 0.165 Uiso 1 1 calc R U . . .
C43_1 C 0.6237(12) 0.5555(10) 0.5103(2) 0.085(4) Uani 1 1 d . . . . .
H43A_1 H 0.679042 0.616676 0.506405 0.101 Uiso 1 1 calc R U . . .
H43B_1 H 0.643499 0.491955 0.494949 0.101 Uiso 1 1 calc R U . . .
C44_1 C 0.5129(10) 0.5956(17) 0.5017(3) 0.109(6) Uani 1 1 d . . . . .
H44A_1 H 0.457118 0.537394 0.507288 0.163 Uiso 1 1 calc R U . . .
H44B_1 H 0.509569 0.612583 0.477094 0.163 Uiso 1 1 calc R U . . .
H44C_1 H 0.496568 0.664058 0.514912 0.163 Uiso 1 1 calc R U . . .
C45_1 C 0.5635(10) 0.2372(9) 0.5244(2) 0.070(3) Uani 1 1 d . . . . .
H45A_1 H 0.625633 0.251603 0.508337 0.105 Uiso 1 1 calc R U . . .
H45B_1 H 0.505536 0.295465 0.521534 0.105 Uiso 1 1 calc R U . . .
H45C_1 H 0.530680 0.162981 0.519551 0.105 Uiso 1 1 calc R U . . .
C46_1 C 0.7169(10) 0.1475(8) 0.6442(2) 0.067(3) Uani 1 1 d . . . . .
H46A_1 H 0.726296 0.066325 0.640444 0.101 Uiso 1 1 calc R U . . .
H46B_1 H 0.661797 0.159966 0.662618 0.101 Uiso 1 1 calc R U . . .
H46C_1 H 0.789426 0.180711 0.650804 0.101 Uiso 1 1 calc R U . . .
Cl1_3 Cl 0.66202(18) 0.82612(19) 0.58523(8) 0.0715(7) Uani 1 1 d . . . . .
Cl2_3 Cl 0.4650(2) 0.8913(2) 0.54592(6) 0.0734(6) Uani 1 1 d . . . . .
C1_3 C 0.5145(7) 0.8207(6) 0.5835(2) 0.0516(19) Uani 1 1 d . . . . .
H1A_3 H 0.482488 0.857159 0.604237 0.062 Uiso 1 1 calc R U . . .
H1B_3 H 0.489347 0.741102 0.583167 0.062 Uiso 1 1 calc R U . . .
Cl1_4 Cl 0.6477(2) 0.6684(2) 0.71106(6) 0.0732(6) Uani 1 1 d . . . . .
Cl2_4 Cl 0.58326(19) 0.8758(2) 0.67739(6) 0.0630(5) Uani 1 1 d . . . . .
C1_4 C 0.5822(7) 0.7281(8) 0.6745(2) 0.055(2) Uani 1 1 d . . . . .
H1A_4 H 0.622746 0.704090 0.653533 0.066 Uiso 1 1 calc R U . . .
H1B_4 H 0.503432 0.700914 0.672908 0.066 Uiso 1 1 calc R U . . .
Cl1_5 Cl 0.0531(5) 0.2964(4) 0.61551(10) 0.1244(15) Uani 1 1 d D U . . .
Cl2_5 Cl -0.0847(3) 0.2723(4) 0.55507(10) 0.1093(12) Uani 1 1 d D U . . .
C1_5 C 0.0213(9) 0.3449(8) 0.5754(2) 0.081(3) Uani 1 1 d D U . . .
H1A_5 H 0.090044 0.341036 0.560989 0.097 Uiso 1 1 calc R U . . .
H1B_5 H -0.000915 0.425192 0.577133 0.097 Uiso 1 1 calc R U . . .
Cl1_6 Cl -0.0433(5) 0.2066(6) 0.70463(14) 0.0900(19) Uani 0.5 1 d D U P A 1
Cl2_6 Cl 0.1395(4) 0.0723(4) 0.73224(10) 0.0652(11) Uani 0.5 1 d D U P A 1
C1_6 C 0.0901(10) 0.1504(12) 0.6974(3) 0.047(4) Uani 0.5 1 d D U P A 1
H1A_6 H 0.143608 0.212555 0.692625 0.057 Uiso 0.5 1 calc R U P A 1
H1B_6 H 0.087485 0.101235 0.676850 0.057 Uiso 0.5 1 calc R U P A 1
Cl1_7 Cl 0.1191(6) 0.2366(6) 0.69820(18) 0.0930(18) Uani 0.5 1 d D U P B 2
Cl2_7 Cl -0.0763(6) 0.1048(6) 0.71598(15) 0.0889(17) Uani 0.5 1 d D U P B 2
C1_7 C 0.0567(14) 0.1036(12) 0.6957(6) 0.075(6) Uani 0.5 1 d D U P B 2
H1A_7 H 0.105949 0.047293 0.707035 0.090 Uiso 0.5 1 calc R U P B 2
H1B_7 H 0.047778 0.081689 0.671348 0.090 Uiso 0.5 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1_1 O1_1 1.920(4) . ?
Zn1_1 N1_1 2.145(6) . ?
Zn1_1 N3_1 2.086(8) . ?
Zn1_1 C16_1 2.009(9) . ?
Zn2_1 O2_1 1.942(4) . ?
Zn2_1 N6_1 2.093(8) . ?
Zn2_1 N7_1 2.093(6) . ?
Zn2_1 C43_1 2.001(9) . ?
O1_1 C11_1 1.331(7) . ?
O2_1 C25_1 1.297(8) . ?
N1_1 N2_1 1.370(10) . ?
N1_1 C1_1 1.301(10) . ?
N2_1 C3_1 1.348(9) . ?
N2_1 C9_1 1.457(10) . ?
N3_1 N4_1 1.371(8) . ?
N3_1 C6_1 1.340(11) . ?
N4_1 C4_1 1.381(11) . ?
N4_1 C9_1 1.456(9) . ?
N5_1 N6_1 1.374(11) . ?
N5_1 C34_1 1.473(10) . ?
N5_1 C35_1 1.347(12) . ?
N6_1 C37_1 1.337(12) . ?
N7_1 N8_1 1.351(8) . ?
N7_1 C38_1 1.304(10) . ?
N8_1 C34_1 1.457(9) . ?
N8_1 C40_1 1.341(9) . ?
C1_1 C2_1 1.396(14) . ?
C1_1 C7_1 1.505(16) . ?
C2_1 C3_1 1.366(14) . ?
C3_1 C8_1 1.474(14) . ?
C4_1 C5_1 1.398(13) . ?
C4_1 C18_1 1.485(14) . ?
C5_1 C6_1 1.384(15) . ?
C6_1 C19_1 1.475(12) . ?
C9_1 C10_1 1.506(9) . ?
C10_1 C11_1 1.447(9) . ?
C10_1 C15_1 1.394(9) . ?
C11_1 C12_1 1.392(10) . ?
C12_1 C13_1 1.452(7) . ?
C12_1 C20_1 1.480(8) . ?
C13_1 C14_1 1.390(9) . ?
C13_1 C26_1 1.415(9) . ?
C14_1 C15_1 1.398(10) . ?
C14_1 C29_1 1.433(8) . ?
C16_1 C17_1 1.46(2) . ?
C20_1 C21_1 1.407(9) . ?
C20_1 C25_1 1.411(9) . ?
C21_1 C22_1 1.445(9) . ?
C21_1 C30_1 1.434(9) . ?
C22_1 C23_1 1.415(10) . ?
C22_1 C33_1 1.424(10) . ?
C23_1 C24_1 1.355(10) . ?
C24_1 C25_1 1.444(9) . ?
C24_1 C34_1 1.540(9) . ?
C26_1 C27_1 1.368(9) . ?
C27_1 C28_1 1.388(10) . ?
C28_1 C29_1 1.358(11) . ?
C30_1 C31_1 1.348(11) . ?
C31_1 C32_1 1.406(13) . ?
C32_1 C33_1 1.339(13) . ?
C35_1 C36_1 1.342(18) . ?
C35_1 C41_1 1.447(18) . ?
C36_1 C37_1 1.41(2) . ?
C37_1 C42_1 1.527(19) . ?
C38_1 C39_1 1.374(11) . ?
C38_1 C45_1 1.521(11) . ?
C39_1 C40_1 1.384(11) . ?
C40_1 C46_1 1.496(10) . ?
C43_1 C44_1 1.435(17) . ?
Cl1_3 C1_3 1.751(9) . ?
Cl2_3 C1_3 1.785(9) . ?
Cl1_4 C1_4 1.767(9) . ?
Cl2_4 C1_4 1.754(10) . ?
Cl1_5 C1_5 1.706(9) . ?
Cl2_5 C1_5 1.716(9) . ?
Cl1_6 C1_6 1.740(10) . ?
Cl2_6 C1_6 1.742(10) . ?
Cl1_7 C1_7 1.744(11) . ?
Cl2_7 C1_7 1.762(11) . ?

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_1 Zn1_1 N1_1 95.9(2) . . ?
O1_1 Zn1_1 N3_1 90.4(2) . . ?
O1_1 Zn1_1 C16_1 125.1(4) . . ?
N3_1 Zn1_1 N1_1 87.0(3) . . ?
C16_1 Zn1_1 N1_1 122.3(4) . . ?
C16_1 Zn1_1 N3_1 125.9(4) . . ?
O2_1 Zn2_1 N6_1 90.8(2) . . ?
O2_1 Zn2_1 N7_1 94.6(2) . . ?
O2_1 Zn2_1 C43_1 122.0(3) . . ?
N6_1 Zn2_1 N7_1 88.4(2) . . ?
C43_1 Zn2_1 N6_1 125.5(5) . . ?
C43_1 Zn2_1 N7_1 125.6(4) . . ?
C11_1 O1_1 Zn1_1 130.9(4) . . ?
C25_1 O2_1 Zn2_1 132.3(4) . . ?
N2_1 N1_1 Zn1_1 116.4(5) . . ?
C1_1 N1_1 Zn1_1 135.0(7) . . ?
C1_1 N1_1 N2_1 105.9(7) . . ?
N1_1 N2_1 C9_1 120.6(6) . . ?
C3_1 N2_1 N1_1 111.1(7) . . ?
C3_1 N2_1 C9_1 127.4(7) . . ?
N4_1 N3_1 Zn1_1 118.6(5) . . ?
C6_1 N3_1 Zn1_1 135.4(6) . . ?
C6_1 N3_1 N4_1 105.5(8) . . ?
N3_1 N4_1 C4_1 111.5(6) . . ?
N3_1 N4_1 C9_1 121.9(6) . . ?
C4_1 N4_1 C9_1 126.0(6) . . ?
N6_1 N5_1 C34_1 121.6(6) . . ?
C35_1 N5_1 N6_1 111.7(8) . . ?
C35_1 N5_1 C34_1 126.5(8) . . ?
N5_1 N6_1 Zn2_1 118.0(5) . . ?
C37_1 N6_1 Zn2_1 136.8(9) . . ?
C37_1 N6_1 N5_1 103.8(10) . . ?
N8_1 N7_1 Zn2_1 117.0(4) . . ?
C38_1 N7_1 Zn2_1 134.8(5) . . ?
C38_1 N7_1 N8_1 106.8(6) . . ?
N7_1 N8_1 C34_1 122.4(5) . . ?
C40_1 N8_1 N7_1 109.8(6) . . ?
C40_1 N8_1 C34_1 126.3(6) . . ?
N1_1 C1_1 C2_1 110.7(9) . . ?
N1_1 C1_1 C7_1 120.6(9) . . ?
C2_1 C1_1 C7_1 128.6(9) . . ?
C3_1 C2_1 C1_1 106.3(7) . . ?
N2_1 C3_1 C2_1 106.1(8) . . ?
N2_1 C3_1 C8_1 123.9(8) . . ?
C2_1 C3_1 C8_1 130.0(7) . . ?
N4_1 C4_1 C5_1 104.9(8) . . ?
N4_1 C4_1 C18_1 123.4(8) . . ?
C5_1 C4_1 C18_1 131.6(9) . . ?
C6_1 C5_1 C4_1 107.0(8) . . ?
N3_1 C6_1 C5_1 111.1(8) . . ?
N3_1 C6_1 C19_1 120.1(9) . . ?
C5_1 C6_1 C19_1 128.8(8) . . ?
N2_1 C9_1 C10_1 112.4(6) . . ?
N4_1 C9_1 N2_1 108.9(5) . . ?
N4_1 C9_1 C10_1 118.2(6) . . ?
C11_1 C10_1 C9_1 125.4(5) . . ?
C15_1 C10_1 C9_1 116.1(6) . . ?
C15_1 C10_1 C11_1 118.5(6) . . ?
O1_1 C11_1 C10_1 121.6(6) . . ?
O1_1 C11_1 C12_1 118.8(6) . . ?
C12_1 C11_1 C10_1 119.6(5) . . ?
C11_1 C12_1 C13_1 120.1(6) . . ?
C11_1 C12_1 C20_1 118.6(5) . . ?
C13_1 C12_1 C20_1 121.0(6) . . ?
C14_1 C13_1 C12_1 119.5(6) . . ?
C14_1 C13_1 C26_1 118.5(5) . . ?
C26_1 C13_1 C12_1 121.9(6) . . ?
C13_1 C14_1 C15_1 119.7(5) . . ?
C13_1 C14_1 C29_1 120.7(6) . . ?
C15_1 C14_1 C29_1 119.6(6) . . ?
C10_1 C15_1 C14_1 122.4(6) . . ?
C17_1 C16_1 Zn1_1 115.3(7) . . ?
C21_1 C20_1 C12_1 121.0(6) . . ?
C21_1 C20_1 C25_1 121.7(5) . . ?
C25_1 C20_1 C12_1 117.2(5) . . ?
C20_1 C21_1 C22_1 119.5(6) . . ?
C20_1 C21_1 C30_1 123.6(6) . . ?
C30_1 C21_1 C22_1 116.8(6) . . ?
C23_1 C22_1 C21_1 117.4(6) . . ?
C23_1 C22_1 C33_1 123.7(6) . . ?
C33_1 C22_1 C21_1 118.9(6) . . ?
C24_1 C23_1 C22_1 122.8(6) . . ?
C23_1 C24_1 C25_1 120.7(6) . . ?
C23_1 C24_1 C34_1 115.3(6) . . ?
C25_1 C24_1 C34_1 124.0(6) . . ?
O2_1 C25_1 C20_1 120.3(6) . . ?
O2_1 C25_1 C24_1 122.3(6) . . ?
C20_1 C25_1 C24_1 117.4(5) . . ?
C27_1 C26_1 C13_1 120.4(6) . . ?
C26_1 C27_1 C28_1 120.3(6) . . ?
C29_1 C28_1 C27_1 121.9(5) . . ?
C28_1 C29_1 C14_1 118.2(6) . . ?
C31_1 C30_1 C21_1 121.0(7) . . ?
C30_1 C31_1 C32_1 121.9(8) . . ?
C33_1 C32_1 C31_1 119.6(7) . . ?
C32_1 C33_1 C22_1 121.7(7) . . ?
N5_1 C34_1 C24_1 117.4(6) . . ?
N8_1 C34_1 N5_1 110.5(6) . . ?
N8_1 C34_1 C24_1 110.6(5) . . ?
N5_1 C35_1 C41_1 125.2(11) . . ?
C36_1 C35_1 N5_1 108.0(11) . . ?
C36_1 C35_1 C41_1 126.7(10) . . ?
C35_1 C36_1 C37_1 105.3(9) . . ?
N6_1 C37_1 C36_1 111.2(11) . . ?
N6_1 C37_1 C42_1 117.6(12) . . ?
C36_1 C37_1 C42_1 131.2(10) . . ?
N7_1 C38_1 C39_1 111.4(6) . . ?
N7_1 C38_1 C45_1 119.5(8) . . ?
C39_1 C38_1 C45_1 129.0(8) . . ?
C38_1 C39_1 C40_1 104.5(6) . . ?
N8_1 C40_1 C39_1 107.4(6) . . ?
N8_1 C40_1 C46_1 123.7(8) . . ?
C39_1 C40_1 C46_1 128.9(8) . . ?
C44_1 C43_1 Zn2_1 112.2(7) . . ?
Cl1_3 C1_3 Cl2_3 110.0(4) . . ?
Cl2_4 C1_4 Cl1_4 110.2(5) . . ?
Cl1_5 C1_5 Cl2_5 114.5(7) . . ?
Cl1_6 C1_6 Cl2_6 112.5(7) . . ?
Cl1_7 C1_7 Cl2_7 110.4(8) . . ?

_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
