# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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_mm-7
_database_code_depnum_ccdc_archive 'CCDC 2043203'
loop_
_audit_author_name
_audit_author_address
'fu tsfmmiao'
;North China University of Science and Technology
China
;
_audit_update_record             
;
2020-11-09 deposited with the CCDC.	2021-06-02 downloaded from the CCDC.
;
_audit_creation_date             2020-10-30
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H24 Cl6 N4 O12 Zn3'
_chemical_formula_sum            'C42 H24 Cl6 N4 O12 Zn3'
_chemical_formula_weight         1185.46
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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                   9.7770(2)
_cell_length_b                   13.5313(3)
_cell_length_c                   18.3141(4)
_cell_angle_alpha                81.651(2)
_cell_angle_beta                 84.864(2)
_cell_angle_gamma                70.367(2)
_cell_volume                     2255.68(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    17930
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.1510
_cell_measurement_theta_min      2.2340
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.005
_exptl_absorpt_correction_T_max  0.81362
_exptl_absorpt_correction_T_min  0.57623
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            65961
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.600
_diffrn_reflns_theta_min         1.847
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9527
_reflns_number_total             13170
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.462
_refine_diff_density_min         -0.886
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     607
_refine_ls_number_reflns         13170
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0471
_refine_ls_restrained_S_all      1.016
_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)+(0.0318P)²+2.3119P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0908
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C30(H30A,H30B), C31(H31A,H31B), C13(H13A,H13B)
2.b Aromatic/amide H refined with riding coordinates:
 N3(H3), N1(H1), C3(H3A), C7(H7), C28(H28), C42(H42), C11(H11), C25(H25),
 C35(H35), C38(H38), C20(H20), C36(H36), C37(H37), C17(H17), C19(H19), C18(H18)
;
_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
Zn3 Zn 0.66864(3) 0.74610(2) 0.99202(2) 0.01717(7) Uani 1 1 d . . . . .
Zn4 Zn 0.500000 1.000000 1.000000 0.01935(10) Uani 1 2 d S T P . .
Zn2 Zn 0.07302(3) 0.74289(2) 0.52955(2) 0.01879(7) Uani 1 1 d . . . . .
Zn1 Zn 0.000000 1.000000 0.500000 0.02230(10) Uani 1 2 d S T P . .
Cl2 Cl 0.49813(11) 0.58695(6) 0.21772(5) 0.0489(2) Uani 1 1 d . . . . .
Cl3 Cl 0.16897(11) 1.04751(6) 0.28494(5) 0.0453(2) Uani 1 1 d . . . . .
Cl4 Cl 0.44811(11) 0.65759(7) 0.68339(5) 0.0530(3) Uani 1 1 d . . . . .
Cl5 Cl 0.20826(12) 1.09102(7) 0.80752(5) 0.0577(3) Uani 1 1 d . . . . .
Cl1 Cl -0.41212(11) 0.85577(9) 0.37425(6) 0.0701(4) Uani 1 1 d . . . . .
Cl6 Cl 1.14856(12) 0.78093(7) 1.08929(8) 0.0770(4) Uani 1 1 d . . . . .
O6 O -0.10700(19) 0.87232(15) 0.53121(10) 0.0237(4) Uani 1 1 d . . . . .
O11 O 0.72100(19) 0.88188(14) 0.97906(11) 0.0227(4) Uani 1 1 d . . . . .
O10 O 0.4291(2) 0.96629(15) 0.90948(10) 0.0302(5) Uani 1 1 d . . . . .
O2 O 0.5927(2) 0.71682(15) 0.09399(10) 0.0282(4) Uani 1 1 d . . . . .
O9 O 0.5180(2) 0.79021(15) 0.91720(11) 0.0325(5) Uani 1 1 d . . . . .
O8 O 0.1571(2) 0.93761(18) 0.57180(12) 0.0394(6) Uani 1 1 d . . . . .
O1 O 0.4523(2) 0.88213(15) 0.06712(10) 0.0264(4) Uani 1 1 d . . . . .
O4 O 0.1779(3) 0.74994(16) 0.43371(11) 0.0371(5) Uani 1 1 d . . . . .
O7 O 0.1712(2) 0.77159(16) 0.61049(11) 0.0342(5) Uani 1 1 d . . . . .
N4 N 0.7999(2) 0.62045(17) 0.94769(12) 0.0213(5) Uani 1 1 d . . . . .
N2 N 0.0877(2) 0.59331(17) 0.56343(13) 0.0232(5) Uani 1 1 d . . . . .
O12 O 0.8913(2) 0.75680(15) 1.04086(13) 0.0356(5) Uani 1 1 d . . . . .
O3 O 0.1200(3) 0.92372(17) 0.41701(12) 0.0476(7) Uani 1 1 d . . . . .
N3 N 0.9231(3) 0.45636(18) 0.92812(14) 0.0294(6) Uani 1 1 d . . . . .
H3 H 0.948770 0.388547 0.931986 0.035 Uiso 1 1 calc R . . . .
O5 O -0.1727(3) 0.76605(19) 0.47481(18) 0.0636(9) Uani 1 1 d . . . . .
C2 C 0.4202(3) 0.8026(2) 0.18639(14) 0.0200(5) Uani 1 1 d . . . . .
N1 N 0.1498(3) 0.42004(19) 0.57629(15) 0.0364(6) Uani 1 1 d . . . . .
H1 H 0.195601 0.355525 0.569175 0.044 Uiso 1 1 calc R . . . .
C5 C 0.2574(3) 0.8299(2) 0.32244(14) 0.0205(5) Uani 1 1 d . . . . .
C8 C 0.4136(3) 0.7158(2) 0.23615(15) 0.0234(6) Uani 1 1 d . . . . .
C3 C 0.3429(3) 0.9026(2) 0.20597(15) 0.0239(6) Uani 1 1 d . . . . .
H3A H 0.345634 0.961656 0.173603 0.029 Uiso 1 1 calc R . . . .
C7 C 0.3342(3) 0.7299(2) 0.30237(15) 0.0250(6) Uani 1 1 d . . . . .
H7 H 0.331860 0.670619 0.334625 0.030 Uiso 1 1 calc R . . . .
C22 C 0.1938(3) 0.8559(2) 0.61595(14) 0.0226(6) Uani 1 1 d . . . . .
C21 C -0.0038(3) 0.5624(2) 0.61841(16) 0.0282(6) Uani 1 1 d . . . . .
C28 C 0.2213(3) 0.9560(2) 0.71349(15) 0.0289(6) Uani 1 1 d . . . . .
H28 H 0.151784 1.014038 0.689599 0.035 Uiso 1 1 calc R . . . .
C10 C -0.3563(3) 0.9278(2) 0.49737(16) 0.0232(6) Uani 1 1 d . . . . .
C42 C 1.1284(3) 0.9771(2) 1.03266(18) 0.0313(7) Uani 1 1 d . . . . .
H42 H 1.215799 0.960562 1.055586 0.038 Uiso 1 1 calc R . . . .
C26 C 0.3793(3) 0.8808(2) 0.81562(15) 0.0245(6) Uani 1 1 d . . . . .
C40 C 0.9286(3) 0.9238(2) 1.00626(16) 0.0244(6) Uani 1 1 d . . . . .
C4 C 0.2621(3) 0.9172(2) 0.27193(15) 0.0237(6) Uani 1 1 d . . . . .
C11 C -0.4026(3) 0.9964(2) 0.55056(17) 0.0315(7) Uani 1 1 d . . . . .
H11 H -0.337744 0.995182 0.585151 0.038 Uiso 1 1 calc R . . . .
C1 C 0.4951(3) 0.7992(2) 0.11098(14) 0.0198(5) Uani 1 1 d . . . . .
C33 C 0.9121(3) 0.6222(2) 0.89524(15) 0.0255(6) Uani 1 1 d . . . . .
C23 C 0.2672(3) 0.8612(2) 0.68326(14) 0.0222(6) Uani 1 1 d . . . . .
C25 C 0.4275(3) 0.7865(2) 0.78414(16) 0.0282(6) Uani 1 1 d . . . . .
H25 H 0.497749 0.728409 0.807525 0.034 Uiso 1 1 calc R . . . .
C6 C 0.1779(3) 0.8361(2) 0.39680(15) 0.0230(6) Uani 1 1 d . . . . .
C41 C 1.0602(3) 0.9015(2) 1.03880(19) 0.0326(7) Uani 1 1 d . . . . .
C29 C 0.4461(3) 0.8800(2) 0.88703(14) 0.0225(6) Uani 1 1 d . . . . .
C24 C 0.3739(3) 0.7770(2) 0.71911(16) 0.0271(6) Uani 1 1 d . . . . .
C32 C 0.8099(3) 0.5196(2) 0.96520(15) 0.0227(6) Uani 1 1 d . . . . .
C34 C 0.9910(3) 0.5185(2) 0.88285(16) 0.0287(6) Uani 1 1 d . . . . .
C27 C 0.2757(3) 0.9669(2) 0.77815(16) 0.0285(6) Uani 1 1 d . . . . .
C39 C 0.8449(3) 0.8480(2) 1.01062(16) 0.0228(6) Uani 1 1 d . . . . .
C16 C 0.0345(4) 0.4530(3) 0.62659(18) 0.0356(7) Uani 1 1 d . . . . .
C15 C 0.1782(3) 0.5050(2) 0.54046(15) 0.0233(6) Uani 1 1 d . . . . .
C14 C 0.3045(3) 0.4970(2) 0.48777(17) 0.0301(7) Uani 1 1 d . . . . .
H14A H 0.277171 0.553419 0.447159 0.036 Uiso 1 1 calc R . . . .
H14B H 0.332761 0.430153 0.467656 0.036 Uiso 1 1 calc R . . . .
C12 C -0.2035(3) 0.8501(2) 0.49965(17) 0.0271(6) Uani 1 1 d . . . . .
C9 C -0.4568(3) 0.9330(2) 0.44647(17) 0.0308(7) Uani 1 1 d . . . . .
C35 C 1.1083(3) 0.4955(3) 0.83184(19) 0.0411(8) Uani 1 1 d . . . . .
H35 H 1.161437 0.426359 0.824083 0.049 Uiso 1 1 calc R . . . .
C30 C 0.5589(3) 0.5130(3) 0.97539(18) 0.0358(7) Uani 1 1 d . . . . .
H30A H 0.526778 0.588280 0.958702 0.043 Uiso 1 1 calc R . . . .
H30B H 0.575085 0.476021 0.932197 0.043 Uiso 1 1 calc R . . . .
C38 C 0.9479(4) 0.7072(3) 0.85612(18) 0.0376(8) Uani 1 1 d . . . . .
H38 H 0.895917 0.776547 0.863928 0.045 Uiso 1 1 calc R . . . .
C31 C 0.7026(3) 0.4828(2) 1.01406(18) 0.0304(7) Uani 1 1 d . . . . .
H31A H 0.685873 0.514748 1.059577 0.037 Uiso 1 1 calc R . . . .
H31B H 0.740723 0.406688 1.026399 0.037 Uiso 1 1 calc R . . . .
C20 C -0.1154(4) 0.6214(3) 0.66300(19) 0.0423(8) Uani 1 1 d . . . . .
H20 H -0.143252 0.694775 0.658143 0.051 Uiso 1 1 calc R . . . .
C36 C 1.1414(4) 0.5796(3) 0.7938(2) 0.0516(10) Uani 1 1 d . . . . .
H36 H 1.218473 0.567056 0.758904 0.062 Uiso 1 1 calc R . . . .
C13 C 0.4337(3) 0.5046(3) 0.52559(18) 0.0377(8) Uani 1 1 d . . . . .
H13A H 0.404739 0.571778 0.545302 0.045 Uiso 1 1 calc R . . . .
H13B H 0.458987 0.448904 0.566764 0.045 Uiso 1 1 calc R . . . .
C37 C 1.0637(4) 0.6839(3) 0.8053(2) 0.0488(9) Uani 1 1 d . . . . .
H37 H 1.090512 0.738725 0.778283 0.059 Uiso 1 1 calc R . . . .
C17 C -0.0351(5) 0.3984(4) 0.6780(2) 0.0596(12) Uani 1 1 d . . . . .
H17 H -0.008929 0.325134 0.682725 0.072 Uiso 1 1 calc R . . . .
C19 C -0.1827(4) 0.5663(4) 0.7146(2) 0.0597(12) Uani 1 1 d . . . . .
H19 H -0.256478 0.603500 0.745705 0.072 Uiso 1 1 calc R . . . .
C18 C -0.1436(5) 0.4572(4) 0.7214(2) 0.0682(14) Uani 1 1 d . . . . .
H18 H -0.192824 0.423127 0.756574 0.082 Uiso 1 1 calc R . . . .


_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
Zn3 O11 2.0439(18) . ?
Zn3 O2 1.9823(19) 1_556 ?
Zn3 O9 1.9841(19) . ?
Zn3 N4 1.986(2) . ?
Zn3 O12 2.481(2) . ?
Zn4 O11 2.2538(18) 2_677 ?
Zn4 O11 2.2538(18) . ?
Zn4 O10 2.0184(18) . ?
Zn4 O10 2.0185(18) 2_677 ?
Zn4 O1 2.0248(19) 1_556 ?
Zn4 O1 2.0248(19) 2_676 ?
Zn2 O6 2.0249(18) . ?
Zn2 O4 1.959(2) . ?
Zn2 O7 1.9858(19) . ?
Zn2 N2 1.990(2) . ?
Zn1 O6 2.2862(19) . ?
Zn1 O6 2.2862(19) 2_576 ?
Zn1 O8 1.992(2) . ?
Zn1 O8 1.992(2) 2_576 ?
Zn1 O3 2.019(2) 2_576 ?
Zn1 O3 2.019(2) . ?
Cl2 C8 1.729(3) . ?
Cl3 C4 1.732(3) . ?
Cl4 C24 1.732(3) . ?
Cl5 C27 1.733(3) . ?
Cl1 C9 1.739(3) . ?
Cl6 C41 1.738(3) . ?
O6 C12 1.286(3) . ?
O11 C39 1.299(3) . ?
O10 C29 1.247(3) . ?
O2 C1 1.258(3) . ?
O9 C29 1.256(3) . ?
O8 C22 1.237(3) . ?
O1 C1 1.250(3) . ?
O4 C6 1.260(3) . ?
O7 C22 1.251(3) . ?
N4 C33 1.396(4) . ?
N4 C32 1.328(3) . ?
N2 C21 1.398(4) . ?
N2 C15 1.325(3) . ?
O12 C39 1.227(3) . ?
O3 C6 1.225(3) . ?
N3 H3 0.8600 . ?
N3 C32 1.347(3) . ?
N3 C34 1.382(4) . ?
O5 C12 1.219(3) . ?
C2 C8 1.394(4) . ?
C2 C3 1.391(4) . ?
C2 C1 1.504(4) . ?
N1 H1 0.8600 . ?
N1 C16 1.383(4) . ?
N1 C15 1.339(4) . ?
C5 C7 1.394(4) . ?
C5 C4 1.402(4) . ?
C5 C6 1.505(4) . ?
C8 C7 1.382(4) . ?
C3 H3A 0.9300 . ?
C3 C4 1.384(4) . ?
C7 H7 0.9300 . ?
C22 C23 1.503(3) . ?
C21 C16 1.388(4) . ?
C21 C20 1.392(4) . ?
C28 H28 0.9300 . ?
C28 C23 1.388(4) . ?
C28 C27 1.387(4) . ?
C10 C11 1.385(4) . ?
C10 C12 1.510(4) . ?
C10 C9 1.392(4) . ?
C42 H42 0.9300 . ?
C42 C40 1.382(4) 2_777 ?
C42 C41 1.384(4) . ?
C26 C25 1.394(4) . ?
C26 C29 1.511(4) . ?
C26 C27 1.397(4) . ?
C40 C41 1.388(4) . ?
C40 C39 1.502(4) . ?
C11 H11 0.9300 . ?
C11 C9 1.388(4) 2_476 ?
C33 C34 1.396(4) . ?
C33 C38 1.395(4) . ?
C23 C24 1.387(4) . ?
C25 H25 0.9300 . ?
C25 C24 1.382(4) . ?
C32 C31 1.484(4) . ?
C34 C35 1.392(4) . ?
C16 C17 1.385(5) . ?
C15 C14 1.481(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C13 1.533(4) . ?
C35 H35 0.9300 . ?
C35 C36 1.364(5) . ?
C30 C30 1.502(6) 2_667 ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.534(4) . ?
C38 H38 0.9300 . ?
C38 C37 1.379(5) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C20 H20 0.9300 . ?
C20 C19 1.376(5) . ?
C36 H36 0.9300 . ?
C36 C37 1.397(5) . ?
C13 C13 1.511(6) 2_666 ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C37 H37 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.362(6) . ?
C19 H19 0.9300 . ?
C19 C18 1.385(6) . ?
C18 H18 0.9300 . ?

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
O11 Zn3 O12 56.96(7) . . ?
O2 Zn3 O11 111.18(8) 1_556 . ?
O2 Zn3 O9 113.52(9) 1_556 . ?
O2 Zn3 N4 115.38(9) 1_556 . ?
O2 Zn3 O12 90.41(8) 1_556 . ?
O9 Zn3 O11 97.89(8) . . ?
O9 Zn3 N4 96.95(9) . . ?
O9 Zn3 O12 151.27(8) . . ?
N4 Zn3 O11 119.46(8) . . ?
N4 Zn3 O12 85.96(8) . . ?
O11 Zn4 O11 180.00(9) . 2_677 ?
O10 Zn4 O11 90.28(8) 2_677 . ?
O10 Zn4 O11 89.72(8) 2_677 2_677 ?
O10 Zn4 O11 90.28(8) . 2_677 ?
O10 Zn4 O11 89.72(8) . . ?
O10 Zn4 O10 180.00(5) . 2_677 ?
O10 Zn4 O1 86.50(8) 2_677 1_556 ?
O10 Zn4 O1 86.50(8) . 2_676 ?
O10 Zn4 O1 93.50(8) . 1_556 ?
O10 Zn4 O1 93.50(8) 2_677 2_676 ?
O1 Zn4 O11 87.23(7) 1_556 . ?
O1 Zn4 O11 92.77(7) 2_676 . ?
O1 Zn4 O11 92.76(7) 1_556 2_677 ?
O1 Zn4 O11 87.24(7) 2_676 2_677 ?
O1 Zn4 O1 180.00(7) 2_676 1_556 ?
O4 Zn2 O6 109.30(8) . . ?
O4 Zn2 O7 112.81(10) . . ?
O4 Zn2 N2 109.01(9) . . ?
O7 Zn2 O6 96.88(8) . . ?
O7 Zn2 N2 100.08(9) . . ?
N2 Zn2 O6 127.37(9) . . ?
O6 Zn1 O6 180.0 2_576 . ?
O8 Zn1 O6 84.50(8) 2_576 . ?
O8 Zn1 O6 95.50(8) 2_576 2_576 ?
O8 Zn1 O6 95.50(8) . . ?
O8 Zn1 O6 84.50(8) . 2_576 ?
O8 Zn1 O8 180.0 . 2_576 ?
O8 Zn1 O3 93.88(11) . . ?
O8 Zn1 O3 93.88(11) 2_576 2_576 ?
O8 Zn1 O3 86.12(11) 2_576 . ?
O8 Zn1 O3 86.12(11) . 2_576 ?
O3 Zn1 O6 91.65(8) . . ?
O3 Zn1 O6 91.65(8) 2_576 2_576 ?
O3 Zn1 O6 88.35(8) 2_576 . ?
O3 Zn1 O6 88.35(8) . 2_576 ?
O3 Zn1 O3 180.00(15) . 2_576 ?
Zn2 O6 Zn1 98.90(7) . . ?
C12 O6 Zn2 105.12(16) . . ?
C12 O6 Zn1 131.71(18) . . ?
Zn3 O11 Zn4 99.89(7) . . ?
C39 O11 Zn3 100.41(16) . . ?
C39 O11 Zn4 136.03(17) . . ?
C29 O10 Zn4 131.08(18) . . ?
C1 O2 Zn3 108.73(17) . 1_554 ?
C29 O9 Zn3 131.29(18) . . ?
C22 O8 Zn1 134.2(2) . . ?
C1 O1 Zn4 148.57(18) . 1_554 ?
C6 O4 Zn2 122.62(18) . . ?
C22 O7 Zn2 126.80(18) . . ?
C33 N4 Zn3 124.64(18) . . ?
C32 N4 Zn3 128.81(19) . . ?
C32 N4 C33 106.3(2) . . ?
C21 N2 Zn2 124.10(19) . . ?
C15 N2 Zn2 129.7(2) . . ?
C15 N2 C21 106.2(2) . . ?
C39 O12 Zn3 82.08(16) . . ?
C6 O3 Zn1 143.5(2) . . ?
C32 N3 H3 125.6 . . ?
C32 N3 C34 108.7(2) . . ?
C34 N3 H3 125.6 . . ?
C8 C2 C1 126.4(2) . . ?
C3 C2 C8 117.3(2) . . ?
C3 C2 C1 116.2(2) . . ?
C16 N1 H1 125.6 . . ?
C15 N1 H1 125.6 . . ?
C15 N1 C16 108.8(3) . . ?
C7 C5 C4 117.2(2) . . ?
C7 C5 C6 117.8(2) . . ?
C4 C5 C6 125.0(2) . . ?
C2 C8 Cl2 122.5(2) . . ?
C7 C8 Cl2 116.8(2) . . ?
C7 C8 C2 120.7(2) . . ?
C2 C3 H3A 118.9 . . ?
C4 C3 C2 122.3(2) . . ?
C4 C3 H3A 118.9 . . ?
C5 C7 H7 118.9 . . ?
C8 C7 C5 122.2(3) . . ?
C8 C7 H7 118.9 . . ?
O8 C22 O7 126.0(3) . . ?
O8 C22 C23 116.1(2) . . ?
O7 C22 C23 117.9(2) . . ?
C16 C21 N2 108.7(3) . . ?
C16 C21 C20 120.1(3) . . ?
C20 C21 N2 131.2(3) . . ?
C23 C28 H28 118.9 . . ?
C27 C28 H28 118.9 . . ?
C27 C28 C23 122.1(3) . . ?
C11 C10 C12 118.6(2) . . ?
C11 C10 C9 117.1(2) . . ?
C9 C10 C12 124.3(3) . . ?
C40 C42 H42 118.8 2_777 . ?
C40 C42 C41 122.4(3) 2_777 . ?
C41 C42 H42 118.8 . . ?
C25 C26 C29 116.3(2) . . ?
C25 C26 C27 117.4(2) . . ?
C27 C26 C29 126.3(2) . . ?
C42 C40 C41 117.1(2) 2_777 . ?
C42 C40 C39 118.3(2) 2_777 . ?
C41 C40 C39 124.6(2) . . ?
C5 C4 Cl3 124.3(2) . . ?
C3 C4 Cl3 115.4(2) . . ?
C3 C4 C5 120.3(2) . . ?
C10 C11 H11 119.2 . . ?
C10 C11 C9 121.6(3) . 2_476 ?
C9 C11 H11 119.2 2_476 . ?
O2 C1 C2 121.2(2) . . ?
O1 C1 O2 123.2(2) . . ?
O1 C1 C2 115.6(2) . . ?
C34 C33 N4 108.8(2) . . ?
C38 C33 N4 130.4(3) . . ?
C38 C33 C34 120.8(3) . . ?
C28 C23 C22 117.7(2) . . ?
C24 C23 C22 124.7(2) . . ?
C24 C23 C28 117.5(2) . . ?
C26 C25 H25 119.1 . . ?
C24 C25 C26 121.8(3) . . ?
C24 C25 H25 119.1 . . ?
O4 C6 C5 116.9(2) . . ?
O3 C6 O4 125.2(3) . . ?
O3 C6 C5 117.9(3) . . ?
C42 C41 Cl6 116.0(2) . . ?
C42 C41 C40 120.4(3) . . ?
C40 C41 Cl6 123.5(2) . . ?
O10 C29 O9 126.2(2) . . ?
O10 C29 C26 118.5(2) . . ?
O9 C29 C26 115.2(2) . . ?
C23 C24 Cl4 121.6(2) . . ?
C25 C24 Cl4 117.5(2) . . ?
C25 C24 C23 120.9(2) . . ?
N4 C32 N3 111.1(2) . . ?
N4 C32 C31 124.1(2) . . ?
N3 C32 C31 124.6(2) . . ?
N3 C34 C33 105.2(2) . . ?
N3 C34 C35 133.0(3) . . ?
C35 C34 C33 121.8(3) . . ?
C28 C27 Cl5 116.1(2) . . ?
C28 C27 C26 120.3(2) . . ?
C26 C27 Cl5 123.6(2) . . ?
O11 C39 C40 117.2(2) . . ?
O12 C39 O11 120.4(2) . . ?
O12 C39 C40 122.4(2) . . ?
N1 C16 C21 105.1(3) . . ?
N1 C16 C17 132.5(3) . . ?
C17 C16 C21 122.4(4) . . ?
N2 C15 N1 111.1(3) . . ?
N2 C15 C14 125.9(3) . . ?
N1 C15 C14 122.7(3) . . ?
C15 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C15 C14 C13 111.1(2) . . ?
H14A C14 H14B 108.0 . . ?
C13 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
O6 C12 C10 118.6(2) . . ?
O5 C12 O6 120.2(3) . . ?
O5 C12 C10 121.2(3) . . ?
C10 C9 Cl1 122.3(2) . . ?
C11 C9 Cl1 116.4(2) 2_476 . ?
C11 C9 C10 121.2(3) 2_476 . ?
C34 C35 H35 121.7 . . ?
C36 C35 C34 116.6(3) . . ?
C36 C35 H35 121.7 . . ?
C30 C30 H30A 109.0 2_667 . ?
C30 C30 H30B 109.0 2_667 . ?
C30 C30 C31 112.8(3) 2_667 . ?
H30A C30 H30B 107.8 . . ?
C31 C30 H30A 109.0 . . ?
C31 C30 H30B 109.0 . . ?
C33 C38 H38 121.5 . . ?
C37 C38 C33 117.1(3) . . ?
C37 C38 H38 121.5 . . ?
C32 C31 C30 110.2(2) . . ?
C32 C31 H31A 109.6 . . ?
C32 C31 H31B 109.6 . . ?
C30 C31 H31A 109.6 . . ?
C30 C31 H31B 109.6 . . ?
H31A C31 H31B 108.1 . . ?
C21 C20 H20 121.5 . . ?
C19 C20 C21 117.1(4) . . ?
C19 C20 H20 121.5 . . ?
C35 C36 H36 118.8 . . ?
C35 C36 C37 122.4(3) . . ?
C37 C36 H36 118.8 . . ?
C14 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
C13 C13 C14 113.3(3) 2_666 . ?
C13 C13 H13A 108.9 2_666 . ?
C13 C13 H13B 108.9 2_666 . ?
H13A C13 H13B 107.7 . . ?
C38 C37 C36 121.2(3) . . ?
C38 C37 H37 119.4 . . ?
C36 C37 H37 119.4 . . ?
C16 C17 H17 121.6 . . ?
C18 C17 C16 116.8(4) . . ?
C18 C17 H17 121.6 . . ?
C20 C19 H19 119.0 . . ?
C20 C19 C18 121.9(4) . . ?
C18 C19 H19 119.0 . . ?
C17 C18 C19 121.7(4) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
