# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_a_pl
_database_code_depnum_ccdc_archive 'CCDC 2104406'
loop_
_audit_author_name
_audit_author_address
'Yuehong Wen'
;Fujian Institute of Research on the Structure of Matter
China
;
_audit_update_record             
;
2021-08-20 deposited with the CCDC.	2021-09-24 downloaded from the CCDC.
;
_audit_creation_date             2021-05-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H22 N4 O4 Zn, 5(O)'
_chemical_formula_sum            'C22 H32 N4 O9 Zn'
_chemical_formula_weight         561.88
_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'
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                   9.561(6)
_cell_length_b                   11.067(7)
_cell_length_c                   14.378(9)
_cell_angle_alpha                104.135(2)
_cell_angle_beta                 95.491(9)
_cell_angle_gamma                115.421(8)
_cell_volume                     1297.1(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5136
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      36.2776
_cell_measurement_theta_min      2.1485
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.003
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8335
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Prism
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17561
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         2.367
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_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                5399
_reflns_number_total             5935
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         0.557
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       0.005(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5935
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0692
_refine_ls_restrained_S_all      1.179
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0659P)²+1.2224P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1648
_refine_ls_wR_factor_ref         0.1695
_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. Rigid bond restraints
 N3, C6
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C7) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(O10) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
4. Others
 Fixed Sof: O9(0.5) O10(0.5)
5.a Ternary CH refined with riding coordinates:
 N1(H1), N2(H2)
5.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C9(H9A,H9B)
5.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C11(H11), C12(H12), C13(H13), C14(H14),
 C17(H17), C18(H18), C21(H21), C22(H22)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.75044(5) 0.41132(4) 0.32591(3) 0.03301(17) Uani 1 1 d . . . . .
C1 C 0.9783(5) 0.3885(5) 0.2020(3) 0.0514(11) Uani 1 1 d . . . . .
H1A H 1.0458 0.3459 0.1839 0.062 Uiso 1 1 calc R U . . .
H1B H 1.0198 0.4780 0.1890 0.062 Uiso 1 1 calc R U . . .
C2 C 0.8109(6) 0.2928(5) 0.1409(3) 0.0539(11) Uani 1 1 d . . . . .
H2A H 0.8105 0.2788 0.0716 0.065 Uiso 1 1 calc R U . . .
H2B H 0.7710 0.2016 0.1513 0.065 Uiso 1 1 calc R U . . .
C3 C 0.7302(7) 0.4697(6) 0.1242(4) 0.0637(14) Uani 1 1 d . . . . .
H3A H 0.7189 0.4320 0.0539 0.076 Uiso 1 1 calc R U . . .
H3B H 0.8378 0.5460 0.1516 0.076 Uiso 1 1 calc R U . . .
C4 C 0.6142(7) 0.5284(7) 0.1404(4) 0.0647(14) Uani 1 1 d . . . . .
C5 C 0.6675(10) 0.6677(9) 0.1875(5) 0.093(2) Uani 1 1 d . . . . .
H5 H 0.7754 0.7274 0.2146 0.112 Uiso 1 1 calc R U . . .
C6 C 0.5566(13) 0.7209(10) 0.1950(6) 0.115(3) Uani 1 1 d . U . . .
H6 H 0.5933 0.8172 0.2231 0.138 Uiso 1 1 calc R U . . .
C7 C 0.3476(9) 0.5016(9) 0.1160(5) 0.0869(18) Uani 1 1 d . U . . .
H7 H 0.2391 0.4438 0.0899 0.104 Uiso 1 1 calc R U . . .
C8 C 0.4533(8) 0.4437(8) 0.1048(5) 0.0783(18) Uani 1 1 d . . . . .
H8 H 0.4137 0.3477 0.0731 0.094 Uiso 1 1 calc R U . . .
C9 C 1.0269(5) 0.3205(5) 0.3482(3) 0.0434(9) Uani 1 1 d . . . . .
H9A H 0.9491 0.2228 0.3145 0.052 Uiso 1 1 calc R U . . .
H9B H 1.0246 0.3404 0.4174 0.052 Uiso 1 1 calc R U . . .
C10 C 1.1908(4) 0.3389(4) 0.3379(3) 0.0387(8) Uani 1 1 d . . . . .
C11 C 1.3261(5) 0.4654(4) 0.3855(3) 0.0465(9) Uani 1 1 d . . . . .
H11 H 1.3172 0.5409 0.4247 0.056 Uiso 1 1 calc R U . . .
C12 C 1.4740(5) 0.4806(4) 0.3752(3) 0.0451(9) Uani 1 1 d . . . . .
H12 H 1.5621 0.5680 0.4068 0.054 Uiso 1 1 calc R U . . .
C13 C 1.3671(5) 0.2531(5) 0.2760(3) 0.0500(10) Uani 1 1 d . . . . .
H13 H 1.3792 0.1784 0.2384 0.060 Uiso 1 1 calc R U . . .
C14 C 1.2141(5) 0.2310(5) 0.2813(4) 0.0508(10) Uani 1 1 d . . . . .
H14 H 1.1272 0.1439 0.2469 0.061 Uiso 1 1 calc R U . . .
C15 C 0.9457(5) 0.7203(4) 0.3849(3) 0.0398(8) Uani 1 1 d . . . . .
C16 C 0.9739(5) 0.8656(4) 0.4450(3) 0.0394(8) Uani 1 1 d . . . . .
C17 C 1.1031(5) 0.9861(4) 0.4408(4) 0.0523(11) Uani 1 1 d . . . . .
H17 H 1.1722 0.9779 0.4014 0.063 Uiso 1 1 calc R U . . .
C18 C 0.8721(5) 0.8811(4) 0.5039(3) 0.0490(10) Uani 1 1 d . . . . .
H18 H 0.7854 0.8011 0.5065 0.059 Uiso 1 1 calc R U . . .
C19 C 0.6476(5) 0.1918(4) 0.3904(3) 0.0436(9) Uani 1 1 d . . . . .
C20 C 0.5731(5) 0.0923(4) 0.4482(3) 0.0406(8) Uani 1 1 d . . . . .
C21 C 0.5966(6) 0.1424(5) 0.5489(3) 0.0518(10) Uani 1 1 d . . . . .
H21 H 0.6611 0.2380 0.5823 0.062 Uiso 1 1 calc R U . . .
C22 C 0.4759(6) -0.0504(5) 0.3987(3) 0.0547(11) Uani 1 1 d . . . . .
H22 H 0.4590 -0.0848 0.3306 0.066 Uiso 1 1 calc R U . . .
N1 N 0.9804(4) 0.4126(3) 0.3080(2) 0.0380(7) Uani 1 1 d . . . . .
H1 H 1.0638 0.5095 0.3422 0.046 Uiso 1 1 calc R U . . .
N2 N 0.7067(4) 0.3568(4) 0.1694(3) 0.0443(8) Uani 1 1 d . . . . .
H2 H 0.5962 0.2826 0.1427 0.053 Uiso 1 1 calc R U . . .
N3 N 0.4006(9) 0.6352(9) 0.1624(5) 0.105(2) Uani 1 1 d . U . . .
N4 N 1.4980(4) 0.3757(3) 0.3218(2) 0.0371(7) Uani 1 1 d . . . . .
O1 O 0.8362(3) 0.6154(3) 0.4011(2) 0.0412(6) Uani 1 1 d . . . . .
O2 O 1.0282(4) 0.7094(3) 0.3244(3) 0.0618(9) Uani 1 1 d . . . . .
O3 O 0.7303(4) 0.3216(3) 0.4378(2) 0.0490(7) Uani 1 1 d . . . . .
O4 O 0.6244(4) 0.1449(4) 0.2990(2) 0.0575(8) Uani 1 1 d . . . . .
O5 O 0.4220(7) -0.0490(6) 0.1311(3) 0.1100(17) Uani 1 1 d . . . . .
O6 O 0.4113(8) 0.1093(6) 0.0100(4) 0.129(2) Uani 1 1 d . . . . .
O7 O 1.0164(19) 0.1884(16) -0.0300(9) 0.296(7) Uani 1 1 d . . . . .
O8 O 0.8898(13) -0.0086(12) 0.0830(8) 0.246(5) Uani 1 1 d . . . . .
O9 O 1.1782(7) 0.7418(6) 0.1673(5) 0.0463(14) Uani 0.5 1 d . . P . .
O10 O 1.096(3) 0.813(3) 0.1670(18) 0.261(10) Uani 0.5 1 d . U 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 N1 2.233(3) . ?
Zn1 N2 2.132(4) . ?
Zn1 N4 2.265(3) 1_455 ?
Zn1 O1 1.998(3) . ?
Zn1 O3 2.071(3) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.509(7) . ?
C1 N1 1.478(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 N2 1.485(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.517(7) . ?
C3 N2 1.489(6) . ?
C4 C5 1.358(9) . ?
C4 C8 1.373(9) . ?
C5 H5 0.9300 . ?
C5 C6 1.417(10) . ?
C6 H6 0.9300 . ?
C6 N3 1.333(11) . ?
C7 H7 0.9300 . ?
C7 C8 1.412(8) . ?
C7 N3 1.303(10) . ?
C8 H8 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.518(5) . ?
C9 N1 1.484(5) . ?
C10 C11 1.381(6) . ?
C10 C14 1.388(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.377(6) . ?
C12 H12 0.9300 . ?
C12 N4 1.348(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.390(6) . ?
C13 N4 1.337(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.520(5) . ?
C15 O1 1.278(5) . ?
C15 O2 1.246(5) . ?
C16 C17 1.396(6) . ?
C16 C18 1.387(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.393(6) 2_776 ?
C18 C17 1.393(6) 2_776 ?
C18 H18 0.9300 . ?
C19 C20 1.515(5) . ?
C19 O3 1.264(5) . ?
C19 O4 1.248(5) . ?
C20 C21 1.377(6) . ?
C20 C22 1.389(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.397(6) 2_656 ?
C22 C21 1.397(6) 2_656 ?
C22 H22 0.9300 . ?
N1 H1 0.9800 . ?
N2 H2 0.9800 . ?
N4 Zn1 2.265(3) 1_655 ?
O9 O10 1.33(3) . ?

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 Zn1 N4 170.20(12) . 1_455 ?
N2 Zn1 N1 82.08(12) . . ?
N2 Zn1 N4 90.76(12) . 1_455 ?
O1 Zn1 N1 98.37(12) . . ?
O1 Zn1 N2 116.52(13) . . ?
O1 Zn1 N4 90.81(11) . 1_455 ?
O1 Zn1 O3 101.95(13) . . ?
O3 Zn1 N1 94.02(11) . . ?
O3 Zn1 N2 141.51(14) . . ?
O3 Zn1 N4 87.41(11) . 1_455 ?
H1A C1 H1B 108.1 . . ?
C2 C1 H1A 109.6 . . ?
C2 C1 H1B 109.6 . . ?
N1 C1 H1A 109.6 . . ?
N1 C1 H1B 109.6 . . ?
N1 C1 C2 110.4(3) . . ?
C1 C2 H2A 109.7 . . ?
C1 C2 H2B 109.7 . . ?
H2A C2 H2B 108.2 . . ?
N2 C2 C1 109.7(4) . . ?
N2 C2 H2A 109.7 . . ?
N2 C2 H2B 109.7 . . ?
H3A C3 H3B 107.7 . . ?
C4 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
N2 C3 H3A 108.9 . . ?
N2 C3 H3B 108.9 . . ?
N2 C3 C4 113.5(4) . . ?
C5 C4 C3 120.7(6) . . ?
C5 C4 C8 118.2(6) . . ?
C8 C4 C3 121.1(6) . . ?
C4 C5 H5 120.4 . . ?
C4 C5 C6 119.2(8) . . ?
C6 C5 H5 120.4 . . ?
C5 C6 H6 119.4 . . ?
N3 C6 C5 121.2(8) . . ?
N3 C6 H6 119.4 . . ?
C8 C7 H7 119.7 . . ?
N3 C7 H7 119.7 . . ?
N3 C7 C8 120.7(7) . . ?
C4 C8 C7 120.3(7) . . ?
C4 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
H9A C9 H9B 107.7 . . ?
C10 C9 H9A 108.8 . . ?
C10 C9 H9B 108.8 . . ?
N1 C9 H9A 108.8 . . ?
N1 C9 H9B 108.8 . . ?
N1 C9 C10 113.7(3) . . ?
C11 C10 C9 121.3(4) . . ?
C11 C10 C14 116.2(4) . . ?
C14 C10 C9 122.5(4) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 118.2 . . ?
N4 C12 C11 123.6(4) . . ?
N4 C12 H12 118.2 . . ?
C14 C13 H13 118.1 . . ?
N4 C13 H13 118.1 . . ?
N4 C13 C14 123.7(4) . . ?
C10 C14 C13 120.0(4) . . ?
C10 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
O1 C15 C16 116.1(3) . . ?
O2 C15 C16 119.7(3) . . ?
O2 C15 O1 124.2(4) . . ?
C17 C16 C15 120.0(4) . . ?
C18 C16 C15 121.1(3) . . ?
C18 C16 C17 118.9(4) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.6(4) 2_776 . ?
C18 C17 H17 120.2 2_776 . ?
C16 C18 C17 121.5(4) . 2_776 ?
C16 C18 H18 119.3 . . ?
C17 C18 H18 119.3 2_776 . ?
O3 C19 C20 117.7(4) . . ?
O4 C19 C20 120.0(4) . . ?
O4 C19 O3 122.3(4) . . ?
C21 C20 C19 120.7(4) . . ?
C21 C20 C22 119.5(4) . . ?
C22 C20 C19 119.7(4) . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.3(4) . 2_656 ?
C22 C21 H21 119.8 2_656 . ?
C20 C22 C21 120.1(4) . 2_656 ?
C20 C22 H22 119.9 . . ?
C21 C22 H22 119.9 2_656 . ?
Zn1 N1 H1 106.1 . . ?
C1 N1 Zn1 105.9(2) . . ?
C1 N1 C9 112.9(3) . . ?
C1 N1 H1 106.1 . . ?
C9 N1 Zn1 118.8(2) . . ?
C9 N1 H1 106.1 . . ?
Zn1 N2 H2 107.5 . . ?
C2 N2 Zn1 104.8(2) . . ?
C2 N2 C3 110.6(3) . . ?
C2 N2 H2 107.5 . . ?
C3 N2 Zn1 118.4(3) . . ?
C3 N2 H2 107.5 . . ?
C7 N3 C6 120.3(7) . . ?
C12 N4 Zn1 119.0(3) . 1_655 ?
C13 N4 Zn1 124.9(3) . 1_655 ?
C13 N4 C12 115.8(3) . . ?
C15 O1 Zn1 127.0(3) . . ?
C19 O3 Zn1 101.8(3) . . ?

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
C1 C2 N2 Zn1 -50.3(4) . . . . ?
C1 C2 N2 C3 78.4(5) . . . . ?
C2 C1 N1 Zn1 -33.3(4) . . . . ?
C2 C1 N1 C9 98.3(4) . . . . ?
C3 C4 C5 C6 175.4(6) . . . . ?
C3 C4 C8 C7 -176.6(5) . . . . ?
C4 C3 N2 Zn1 -65.6(5) . . . . ?
C4 C3 N2 C2 173.4(4) . . . . ?
C4 C5 C6 N3 4.5(11) . . . . ?
C5 C4 C8 C7 1.0(8) . . . . ?
C5 C6 N3 C7 -5.3(12) . . . . ?
C8 C4 C5 C6 -2.3(9) . . . . ?
C8 C7 N3 C6 4.0(11) . . . . ?
C9 C10 C11 C12 -179.9(4) . . . . ?
C9 C10 C14 C13 -178.8(4) . . . . ?
C10 C9 N1 Zn1 -175.8(3) . . . . ?
C10 C9 N1 C1 59.4(5) . . . . ?
C10 C11 C12 N4 -1.7(7) . . . . ?
C11 C10 C14 C13 0.8(6) . . . . ?
C11 C12 N4 Zn1 -173.5(3) . . . 1_655 ?
C11 C12 N4 C13 1.5(6) . . . . ?
C14 C10 C11 C12 0.5(6) . . . . ?
C14 C13 N4 Zn1 174.6(3) . . . 1_655 ?
C14 C13 N4 C12 -0.1(7) . . . . ?
C15 C16 C17 C18 179.9(4) . . . 2_776 ?
C15 C16 C18 C17 -179.9(4) . . . 2_776 ?
C16 C15 O1 Zn1 172.5(2) . . . . ?
C17 C16 C18 C17 -0.5(8) . . . 2_776 ?
C18 C16 C17 C18 0.5(8) . . . 2_776 ?
C19 C20 C21 C22 178.4(4) . . . 2_656 ?
C19 C20 C22 C21 -178.4(4) . . . 2_656 ?
C20 C19 O3 Zn1 -165.5(3) . . . . ?
C21 C20 C22 C21 -0.4(8) . . . 2_656 ?
C22 C20 C21 C22 0.4(8) . . . 2_656 ?
N1 C1 C2 N2 58.5(5) . . . . ?
N1 C9 C10 C11 63.6(5) . . . . ?
N1 C9 C10 C14 -116.8(5) . . . . ?
N2 C3 C4 C5 121.0(6) . . . . ?
N2 C3 C4 C8 -61.4(6) . . . . ?
N3 C7 C8 C4 -1.8(9) . . . . ?
N4 C13 C14 C10 -1.1(7) . . . . ?
O1 C15 C16 C17 172.4(4) . . . . ?
O1 C15 C16 C18 -8.2(6) . . . . ?
O2 C15 C16 C17 -7.3(6) . . . . ?
O2 C15 C16 C18 172.1(4) . . . . ?
O2 C15 O1 Zn1 -7.8(6) . . . . ?
O3 C19 C20 C21 -0.6(6) . . . . ?
O3 C19 C20 C22 177.3(4) . . . . ?
O4 C19 C20 C21 -179.6(4) . . . . ?
O4 C19 C20 C22 -1.6(6) . . . . ?
O4 C19 O3 Zn1 13.4(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
