# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_64
_database_code_depnum_ccdc_archive 'CCDC 2244456'
loop_
_audit_author_name
_audit_author_address
'Yimin Lin'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Science
China
;
_audit_update_record             
;
2023-03-04 deposited with the CCDC.	2023-05-02 downloaded from the CCDC.
;
_audit_creation_date             2023-03-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.02.24 svn.rf166f9f3 for OlexSys, GUI svn.r6725)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H28 N2 O8 Zn2'
_chemical_formula_sum            'C22 H28 N2 O8 Zn2'
_chemical_formula_weight         579.20
_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      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   16.7620(5)
_cell_length_b                   10.6688(5)
_cell_length_c                   14.1832(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2536.39(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14889
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      76.3590
_cell_measurement_theta_min      3.9430
_shelx_estimated_absorpt_T_max   0.791
_shelx_estimated_absorpt_T_min   0.701
_exptl_absorpt_coefficient_mu    2.737
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1192
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23976
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.561
_diffrn_reflns_theta_min         4.083
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2398
_reflns_number_total             2756
_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 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.408
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       0.00129(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     188
_refine_ls_number_reflns         2756
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0433
_refine_ls_restrained_S_all      1.111
_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)+(0.0779P)²+0.9600P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1388
_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
2. Restrained distances
 C23_$1-C22 = C23-C22
 1.5 with sigma of 0.05
 C33A_$1-C32_$1 = C33B_$1-C32_$1
 1.5 with sigma of 0.05
 C43_$1-C42 = C43-C42
 1.5 with sigma of 0.05
3. Uiso/Uaniso restraints and constraints
Uanis(C33A) = Uanis(C33B)
4. Others
 Fixed Sof: C23(0.5) C33A(0.5) H33A(0.5) H33B(0.5) H33C(0.5) C33B(0.5)
 H33D(0.5) H33E(0.5) H33F(0.5) C43(0.5) O41(0.5)
5.a Me refined with riding coordinates:
 C33A(H33A,H33B,H33C), C33B(H33D,H33E,H33F)
5.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C15(H15), C16(H16)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.44874(4) 0.750000 0.93557(3) 0.0709(2) Uani 1 2 d S T P . .
Zn2 Zn 0.49487(3) 0.750000 0.71475(3) 0.0641(2) Uani 1 2 d S T P . .
N11 N 0.4307(2) 0.750000 0.0770(2) 0.0675(8) Uani 1 2 d S T P . .
N12 N 0.44275(19) 0.750000 0.5744(2) 0.0601(7) Uani 1 2 d S T P . .
C11 C 0.4272(2) 0.6435(3) 0.12505(19) 0.0813(9) Uani 1 1 d . . . . .
H11 H 0.427622 0.568251 0.091896 0.098 Uiso 1 1 calc R U . . .
C12 C 0.4229(2) 0.6396(3) 0.22160(18) 0.0766(8) Uani 1 1 d . . . . .
H12 H 0.420109 0.562923 0.252580 0.092 Uiso 1 1 calc R U . . .
C13 C 0.4227(2) 0.750000 0.2729(2) 0.0538(7) Uani 1 2 d S T P . .
C14 C 0.4246(2) 0.750000 0.3782(2) 0.0537(7) Uani 1 2 d S T P . .
C15 C 0.42701(19) 0.6395(3) 0.42945(17) 0.0663(7) Uani 1 1 d . . . . .
H15 H 0.422421 0.562682 0.398942 0.080 Uiso 1 1 calc R U . . .
C16 C 0.43626(19) 0.6442(3) 0.52595(18) 0.0672(7) Uani 1 1 d . . . . .
H16 H 0.438058 0.568915 0.558927 0.081 Uiso 1 1 calc R U . . .
O21 O 0.59469(13) 0.64806(19) 0.65288(16) 0.0765(5) Uani 1 1 d . . . . .
C21 C 0.6249(3) 0.750000 0.6280(3) 0.0683(9) Uani 1 2 d S T P . .
C22 C 0.6988(4) 0.750000 0.5660(5) 0.113(2) Uani 1 2 d DS T P . .
C23 C 0.6976(7) 0.6645(11) 0.4883(7) 0.139(4) Uani 0.5 1 d D . P . .
C31 C 0.3930(2) 0.5538(3) 0.8162(2) 0.0840(9) Uani 1 1 d . . . . .
C32 C 0.3485(4) 0.4339(5) 0.8016(3) 0.138(2) Uani 1 1 d . . . . .
C33A C 0.3263(7) 0.4044(11) 0.7111(10) 0.152(3) Uani 0.5 1 d . . P A 1
H33A H 0.298386 0.325842 0.710973 0.228 Uiso 0.5 1 calc R U P A 1
H33B H 0.292089 0.468875 0.686770 0.228 Uiso 0.5 1 calc R U P A 1
H33C H 0.373027 0.397840 0.672210 0.228 Uiso 0.5 1 calc R U P A 1
C33B C 0.2855(7) 0.4072(10) 0.8490(9) 0.152(3) Uani 0.5 1 d . . P A 2
H33D H 0.265662 0.326722 0.829673 0.228 Uiso 0.5 1 calc R U P A 2
H33E H 0.298153 0.404969 0.914985 0.228 Uiso 0.5 1 calc R U P A 2
H33F H 0.245451 0.469785 0.837780 0.228 Uiso 0.5 1 calc R U P A 2
O31 O 0.39095(18) 0.6012(3) 0.89641(16) 0.1092(9) Uani 1 1 d . . . . .
O32 O 0.43029(15) 0.5973(2) 0.74834(13) 0.0804(6) Uani 1 1 d . . . . .
C41 C 0.5979(3) 0.750000 0.9034(4) 0.133(3) Uani 1 2 d S T P . .
C42 C 0.6835(5) 0.750000 0.8681(6) 0.231(8) Uani 1 2 d DS T P . .
C43 C 0.7327(8) 0.672(2) 0.8937(18) 0.314(16) Uani 0.5 1 d D . P . .
O41 O 0.5771(4) 0.6612(8) 0.9714(4) 0.132(3) Uani 0.5 1 d . . P . .
O42 O 0.5474(2) 0.750000 0.8574(3) 0.136(2) Uani 1 2 d S T P . .


_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 N11 2.029(3) 1_556 ?
Zn1 O31 1.941(3) . ?
Zn1 O31 1.941(3) 7_575 ?
Zn1 C41 2.541(6) . ?
Zn1 O41 2.406(6) 7_575 ?
Zn1 O41 2.406(6) . ?
Zn1 O42 1.991(4) . ?
Zn2 N12 2.174(3) . ?
Zn2 O21 2.180(2) 7_575 ?
Zn2 O21 2.180(2) . ?
Zn2 C21 2.502(4) . ?
Zn2 O32 2.013(2) . ?
Zn2 O32 2.013(2) 7_575 ?
Zn2 O42 2.206(4) . ?
N11 C11 1.326(3) 7_575 ?
N11 C11 1.326(3) . ?
N12 C16 1.326(3) 7_575 ?
N12 C16 1.326(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.372(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.384(3) . ?
C13 C14 1.494(5) . ?
C14 C15 1.386(3) 7_575 ?
C14 C15 1.386(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.378(3) . ?
C16 H16 0.9300 . ?
O21 C21 1.250(3) . ?
C21 C22 1.520(7) . ?
C22 C23 1.431(10) . ?
C22 C23 1.431(10) 7_575 ?
C23 C23 1.82(2) 7_575 ?
C31 C32 1.496(5) . ?
C31 O31 1.246(4) . ?
C31 O32 1.237(4) . ?
C32 C33A 1.373(13) . ?
C32 C33B 1.284(12) . ?
C33A H33A 0.9600 . ?
C33A H33B 0.9600 . ?
C33A H33C 0.9600 . ?
C33B H33D 0.9600 . ?
C33B H33E 0.9600 . ?
C33B H33F 0.9600 . ?
C41 C42 1.520(10) . ?
C41 O41 1.396(7) 7_575 ?
C41 O41 1.396(7) . ?
C41 O42 1.068(6) . ?
C42 C43 1.228(18) 7_575 ?
C42 C43 1.228(18) . ?
C43 C43 1.67(4) 7_575 ?

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
N11 Zn1 C41 108.93(16) 1_556 . ?
N11 Zn1 O41 85.66(18) 1_556 . ?
N11 Zn1 O41 85.66(18) 1_556 7_575 ?
O31 Zn1 N11 102.03(9) . 1_556 ?
O31 Zn1 N11 102.03(9) 7_575 1_556 ?
O31 Zn1 O31 109.8(2) . 7_575 ?
O31 Zn1 C41 116.07(11) 7_575 . ?
O31 Zn1 C41 116.07(10) . . ?
O31 Zn1 O41 100.7(2) . . ?
O31 Zn1 O41 146.0(2) . 7_575 ?
O31 Zn1 O41 100.7(2) 7_575 7_575 ?
O31 Zn1 O41 146.0(2) 7_575 . ?
O31 Zn1 O42 104.78(10) . . ?
O31 Zn1 O42 104.78(10) 7_575 . ?
O41 Zn1 C41 32.64(17) . . ?
O41 Zn1 C41 32.64(17) 7_575 . ?
O41 Zn1 O41 46.4(4) 7_575 . ?
O42 Zn1 N11 132.42(16) . 1_556 ?
O42 Zn1 C41 23.49(15) . . ?
O42 Zn1 O41 51.30(17) . . ?
O42 Zn1 O41 51.30(17) . 7_575 ?
N12 Zn2 O21 86.56(9) . 7_575 ?
N12 Zn2 O21 86.56(9) . . ?
N12 Zn2 C21 84.23(13) . . ?
N12 Zn2 O42 179.83(14) . . ?
O21 Zn2 O21 59.85(11) . 7_575 ?
O21 Zn2 C21 29.97(6) . . ?
O21 Zn2 C21 29.98(6) 7_575 . ?
O21 Zn2 O42 93.59(11) 7_575 . ?
O21 Zn2 O42 93.59(11) . . ?
O32 Zn2 N12 90.04(8) . . ?
O32 Zn2 N12 90.04(8) 7_575 . ?
O32 Zn2 O21 155.73(9) 7_575 . ?
O32 Zn2 O21 95.98(9) . . ?
O32 Zn2 O21 95.97(9) 7_575 7_575 ?
O32 Zn2 O21 155.73(9) . 7_575 ?
O32 Zn2 C21 125.76(7) . . ?
O32 Zn2 C21 125.76(7) 7_575 . ?
O32 Zn2 O32 108.06(14) . 7_575 ?
O32 Zn2 O42 89.86(9) . . ?
O32 Zn2 O42 89.87(9) 7_575 . ?
O42 Zn2 C21 95.93(14) . . ?
C11 N11 Zn1 120.95(16) . 1_554 ?
C11 N11 Zn1 120.95(16) 7_575 1_554 ?
C11 N11 C11 118.0(3) 7_575 . ?
C16 N12 Zn2 120.51(16) 7_575 . ?
C16 N12 Zn2 120.51(16) . . ?
C16 N12 C16 116.7(3) 7_575 . ?
N11 C11 H11 118.6 . . ?
N11 C11 C12 122.7(3) . . ?
C12 C11 H11 118.6 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0(3) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C12 116.6(3) 7_575 . ?
C12 C13 C14 121.68(16) 7_575 . ?
C12 C13 C14 121.68(16) . . ?
C15 C14 C13 121.69(15) . . ?
C15 C14 C13 121.69(15) 7_575 . ?
C15 C14 C15 116.6(3) 7_575 . ?
C14 C15 H15 120.2 . . ?
C16 C15 C14 119.6(3) . . ?
C16 C15 H15 120.2 . . ?
N12 C16 C15 123.7(3) . . ?
N12 C16 H16 118.1 . . ?
C15 C16 H16 118.1 . . ?
C21 O21 Zn2 89.4(2) . . ?
O21 C21 Zn2 60.6(2) 7_575 . ?
O21 C21 Zn2 60.6(2) . . ?
O21 C21 O21 120.9(4) . 7_575 ?
O21 C21 C22 119.6(2) 7_575 . ?
O21 C21 C22 119.6(2) . . ?
C22 C21 Zn2 174.1(4) . . ?
C23 C22 C21 115.7(6) 7_575 . ?
C23 C22 C21 115.7(6) . . ?
C23 C22 C23 79.2(11) . 7_575 ?
C22 C23 C23 50.4(5) . 7_575 ?
O31 C31 C32 117.3(3) . . ?
O32 C31 C32 117.7(3) . . ?
O32 C31 O31 124.9(3) . . ?
C33A C32 C31 117.4(6) . . ?
C33B C32 C31 121.9(7) . . ?
C32 C33A H33A 109.5 . . ?
C32 C33A H33B 109.5 . . ?
C32 C33A H33C 109.5 . . ?
H33A C33A H33B 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
C32 C33B H33D 109.5 . . ?
C32 C33B H33E 109.5 . . ?
C32 C33B H33F 109.5 . . ?
H33D C33B H33E 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
C31 O31 Zn1 125.4(2) . . ?
C31 O32 Zn2 139.4(2) . . ?
C42 C41 Zn1 171.1(4) . . ?
O41 C41 Zn1 68.4(3) . . ?
O41 C41 Zn1 68.3(3) 7_575 . ?
O41 C41 C42 117.6(4) . . ?
O41 C41 C42 117.6(4) 7_575 . ?
O41 C41 O41 85.4(7) . 7_575 ?
O42 C41 Zn1 48.0(3) . . ?
O42 C41 C42 123.1(6) . . ?
O42 C41 O41 103.0(5) . . ?
O42 C41 O41 103.0(5) . 7_575 ?
C43 C42 C41 122.5(11) 7_575 . ?
C43 C42 C41 122.5(11) . . ?
C43 C42 C43 85.5(19) 7_575 . ?
C42 C43 C43 47.3(9) . 7_575 ?
C41 O41 Zn1 79.0(4) . . ?
Zn1 O42 Zn2 100.32(17) . . ?
C41 O42 Zn1 108.5(4) . . ?
C41 O42 Zn2 151.2(4) . . ?

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 N11 C11 C12 173.5(3) 1_554 . . . ?
Zn1 C41 O42 Zn2 180.000(3) . . . . ?
Zn2 N12 C16 C15 -159.8(3) . . . . ?
Zn2 O21 C21 O21 6.3(4) . . . 7_575 ?
Zn2 O21 C21 C22 -173.2(4) . . . . ?
N11 C11 C12 C13 -0.5(7) . . . . ?
C11 N11 C11 C12 -2.3(8) 7_575 . . . ?
C11 C12 C13 C12 3.1(7) . . . 7_575 ?
C11 C12 C13 C14 -175.1(4) . . . . ?
C12 C13 C14 C15 -0.3(6) 7_575 . . 7_575 ?
C12 C13 C14 C15 177.9(3) . . . 7_575 ?
C12 C13 C14 C15 -177.9(3) 7_575 . . . ?
C12 C13 C14 C15 0.3(6) . . . . ?
C13 C14 C15 C16 174.0(3) . . . . ?
C14 C15 C16 N12 0.4(5) . . . . ?
C15 C14 C15 C16 -3.8(6) 7_575 . . . ?
C16 N12 C16 C15 3.0(6) 7_575 . . . ?
O21 C21 C22 C23 44.7(9) . . . . ?
O21 C21 C22 C23 -134.8(7) 7_575 . . . ?
O21 C21 C22 C23 134.8(7) . . . 7_575 ?
O21 C21 C22 C23 -44.7(9) 7_575 . . 7_575 ?
C21 C22 C23 C23 113.5(8) . . . 7_575 ?
C32 C31 O31 Zn1 176.0(4) . . . . ?
C32 C31 O32 Zn2 175.7(3) . . . . ?
O31 C31 C32 C33A 157.5(8) . . . . ?
O31 C31 C32 C33B 30.0(11) . . . . ?
O31 C31 O32 Zn2 -5.8(7) . . . . ?
O32 C31 C32 C33A -23.9(10) . . . . ?
O32 C31 C32 C33B -151.4(9) . . . . ?
O32 C31 O31 Zn1 -2.5(6) . . . . ?
C41 C42 C43 C43 -126.0(19) . . . 7_575 ?
C42 C41 O41 Zn1 -172.7(4) . . . . ?
C42 C41 O42 Zn1 180.000(1) . . . . ?
C42 C41 O42 Zn2 0.000(3) . . . . ?
O41 C41 C42 C43 3.6(16) . . . . ?
O41 C41 C42 C43 103.5(14) 7_575 . . . ?
O41 C41 C42 C43 -3.6(16) 7_575 . . 7_575 ?
O41 C41 C42 C43 -103.5(14) . . . 7_575 ?
O41 C41 O41 Zn1 68.5(4) 7_575 . . . ?
O41 C41 O42 Zn1 44.1(4) . . . . ?
O41 C41 O42 Zn1 -44.1(4) 7_575 . . . ?
O41 C41 O42 Zn2 135.9(4) 7_575 . . . ?
O41 C41 O42 Zn2 -135.9(4) . . . . ?
O42 C41 C42 C43 -126.4(14) . . . . ?
O42 C41 C42 C43 126.4(14) . . . 7_575 ?
O42 C41 O41 Zn1 -33.8(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
