# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1874798'
loop_
_audit_author_name
_audit_author_address
Zn2(RR-chcaip)Py2(H2O)
;The Cambrige Crystallographic Data Center
China
;
_audit_update_record             
;
2018-10-23 deposited with the CCDC.	2020-02-13 downloaded from the CCDC.
;
_audit_creation_date             2018-10-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H30 N4 O11 Zn2'
_chemical_formula_sum            'C34 H30 N4 O11 Zn2'
_chemical_formula_weight         801.36
_chemical_absolute_configuration ?
_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      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   30.339(2)
_cell_length_b                   10.0939(4)
_cell_length_c                   16.2638(11)
_cell_angle_alpha                90
_cell_angle_beta                 112.167(6)
_cell_angle_gamma                90
_cell_volume                     4612.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8023
_cell_measurement_theta_max      26.4300
_cell_measurement_theta_min      3.6470

_exptl_absorpt_coefficient_mu    1.090
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85118
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.154
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.1
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            33233
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.418
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.889
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                8044
_reflns_number_total             9406
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.606
_refine_diff_density_min         -0.311
_refine_diff_density_rms         0.050
_refine_ls_abs_structure_details 
;
 Flack x determined using 3176 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.006(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         9406
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0380
_refine_ls_restrained_S_all      2.440
_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)+(0.0489P)²+1.6062P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0908
_refine_ls_wR_factor_ref         0.0955
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 O1-H1
 0.82 with sigma of 0.02
3.a Rotating group:
 O1(H1a,H1b)
3.b Ternary CH refined with riding coordinates:
 C20(H20), C15(H15)
3.c Secondary CH2 refined with riding coordinates:
 C16(H16a,H16b), C19(H19a,H19b), C17(H17a,H17b), C18(H18a,H18b)
3.d Aromatic/amide H refined with riding coordinates:
 C10(H10), C8(H8), C12(H12), C3(H3), N2(H2), C5(H5), C1(H1), C4(H4), C2(H2a),
 N3(H3a), C27(H27), C23(H23), C34(H34), C30(H30), C32(H32), C33(H33), C31(H31),
 C25(H25)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 -0.24999(2) -0.64405(6) -0.24623(3) 0.03841(15) Uani 1 1 d . . . . .
C13 C -0.23490(16) 0.0627(6) -0.2380(3) 0.0337(9) Uani 1 1 d . . . . .
O2 O -0.24601(11) -0.4436(4) -0.2534(2) 0.0493(9) Uani 1 1 d . . . . .
C7 C -0.18467(16) -0.2839(5) -0.2115(3) 0.0350(10) Uani 1 1 d . . . . .
N1 N -0.23973(13) -0.6293(4) -0.1101(2) 0.0369(8) Uani 1 1 d . . . . .
C6 C -0.20187(16) -0.4258(6) -0.2228(3) 0.0389(10) Uani 1 1 d . . . . .
C10 C -0.15216(15) -0.0240(5) -0.1935(3) 0.0356(10) Uani 1 1 d . . . . .
H10 H -0.1413 0.0631 -0.1859 0.043 Uiso 1 1 calc R . . . .
C9 C -0.20016(17) -0.0506(5) -0.2188(3) 0.0323(10) Uani 1 1 d . . . . .
C11 C -0.12041(16) -0.1281(5) -0.1797(3) 0.0367(10) Uani 1 1 d . . . . .
O3 O -0.17283(15) -0.5188(4) -0.2005(3) 0.0625(11) Uani 1 1 d . . . . .
C16 C 0.03794(18) 0.0346(8) -0.0750(3) 0.065(2) Uani 1 1 d . . . . .
H16A H 0.0335 -0.0096 -0.0256 0.078 Uiso 1 1 calc R . . . .
H16B H 0.0317 0.1282 -0.0714 0.078 Uiso 1 1 calc R . . . .
C8 C -0.21676(15) -0.1807(4) -0.2280(3) 0.0331(10) Uani 1 1 d . . . . .
H8 H -0.2491 -0.1979 -0.2452 0.040 Uiso 1 1 calc R . . . .
C12 C -0.13661(17) -0.2576(5) -0.1878(3) 0.0378(11) Uani 1 1 d . . . . .
H12 H -0.1151 -0.3273 -0.1774 0.045 Uiso 1 1 calc R . . . .
C20 C 0.01035(15) 0.0421(5) -0.2389(3) 0.0399(12) Uani 1 1 d . . . . .
H20 H 0.0055 0.1377 -0.2364 0.048 Uiso 1 1 calc R . . . .
C3 C -0.2313(2) -0.6184(6) 0.0656(3) 0.0570(15) Uani 1 1 d . . . . .
H3 H -0.2293 -0.6172 0.1241 0.068 Uiso 1 1 calc R . . . .
O6 O -0.06618(15) 0.1089(4) -0.1813(4) 0.0751(14) Uani 1 1 d . . . . .
C14 C -0.04830(17) -0.0011(6) -0.1692(3) 0.0433(12) Uani 1 1 d . . . . .
C15 C 0.00243(16) -0.0213(6) -0.1622(3) 0.0419(11) Uani 1 1 d . . . . .
H15 H 0.0082 -0.1166 -0.1636 0.050 Uiso 1 1 calc R . . . .
N2 N -0.07116(13) -0.1101(4) -0.1610(3) 0.0448(11) Uani 1 1 d . . . . .
H2 H -0.0536 -0.1790 -0.1417 0.054 Uiso 1 1 calc R . . . .
C5 C -0.26840(19) -0.5545(6) -0.0851(3) 0.0531(14) Uani 1 1 d . . . . .
H5 H -0.2911 -0.5039 -0.1285 0.064 Uiso 1 1 calc R . . . .
C1 C -0.20543(17) -0.6911(5) -0.0466(3) 0.0453(12) Uani 1 1 d . . . . .
H1 H -0.1835 -0.7388 -0.0620 0.054 Uiso 1 1 calc DR . . . .
C4 C -0.2670(2) -0.5463(7) -0.0007(4) 0.0672(18) Uani 1 1 d . . . . .
H4 H -0.2889 -0.4950 0.0128 0.081 Uiso 1 1 calc R . . . .
C2 C -0.1999(2) -0.6895(6) 0.0425(4) 0.0606(16) Uani 1 1 d . . . . .
H2A H -0.1753 -0.7360 0.0849 0.073 Uiso 1 1 calc R . . . .
C19 C 0.06153(18) 0.0189(8) -0.2329(4) 0.068(2) Uani 1 1 d . . . . .
H19A H 0.0669 -0.0753 -0.2366 0.082 Uiso 1 1 calc R . . . .
H19B H 0.0661 0.0623 -0.2823 0.082 Uiso 1 1 calc R . . . .
C17 C 0.08944(19) 0.0158(8) -0.0672(4) 0.070(2) Uani 1 1 d . . . . .
H17A H 0.1107 0.0590 -0.0137 0.084 Uiso 1 1 calc R . . . .
H17B H 0.0970 -0.0779 -0.0626 0.084 Uiso 1 1 calc R . . . .
C18 C 0.09693(18) 0.0729(10) -0.1464(4) 0.0755(18) Uani 1 1 d . . . . .
H18A H 0.1289 0.0524 -0.1423 0.091 Uiso 1 1 calc R . . . .
H18B H 0.0939 0.1685 -0.1460 0.091 Uiso 1 1 calc R . . . .
O1 O -0.2618(3) -0.6589(7) -0.3828(3) 0.157(3) Uani 1 1 d D . . . .
H1A H -0.2606 -0.7365 -0.4154 0.236 Uiso 1 1 d GR . . . .
H1B H -0.2698 -0.5910 -0.4268 0.236 Uiso 1 1 d GR . . . .
O7 O -0.04044(19) -0.1196(4) -0.3368(2) 0.0893(17) Uani 1 1 d . . . . .
C21 C -0.02464(18) -0.0091(5) -0.3276(3) 0.0456(12) Uani 1 1 d . . . . .
N3 N -0.03669(15) 0.0811(5) -0.3933(2) 0.0534(12) Uani 1 1 d . . . . .
H3A H -0.0219 0.1555 -0.3801 0.064 Uiso 1 1 calc R . . . .
C22 C -0.07044(16) 0.0697(5) -0.4811(3) 0.0412(10) Uani 1 1 d . . . . .
C27 C -0.08567(17) 0.1859(4) -0.5284(3) 0.0354(11) Uani 1 1 d . . . . .
H27 H -0.0729 0.2663 -0.5021 0.042 Uiso 1 1 calc R . . . .
C23 C -0.08914(18) -0.0507(5) -0.5208(3) 0.0408(12) Uani 1 1 d . . . . .
H23 H -0.0786 -0.1299 -0.4905 0.049 Uiso 1 1 calc R . . . .
C24 C -0.12369(16) -0.0516(5) -0.6062(3) 0.0333(10) Uani 1 1 d . . . . .
C26 C -0.11917(17) 0.1849(4) -0.6132(3) 0.0316(10) Uani 1 1 d . . . . .
O10 O -0.15928(13) 0.3039(3) -0.7461(2) 0.0530(10) Uani 1 1 d . . . . .
O4 O -0.27791(13) 0.0332(4) -0.2665(3) 0.0673(13) Uani 1 1 d . . . . .
C29 C -0.13485(18) 0.3103(5) -0.6657(3) 0.0347(11) Uani 1 1 d . . . . .
O11 O -0.12244(13) 0.4194(3) -0.6238(2) 0.0525(10) Uani 1 1 d . . . . .
C28 C -0.14292(17) -0.1789(5) -0.6503(3) 0.0371(11) Uani 1 1 d . . . . .
O9 O -0.17852(12) -0.1779(3) -0.7237(2) 0.0460(9) Uani 1 1 d . . . . .
O8 O -0.12304(13) -0.2859(3) -0.6164(2) 0.0514(10) Uani 1 1 d . . . . .
Zn2 Zn -0.15440(2) 0.56735(5) -0.70073(3) 0.03767(15) Uani 1 1 d . . . . .
N4 N -0.13573(14) 0.5839(4) -0.8080(3) 0.0460(10) Uani 1 1 d . . . . .
C34 C -0.1001(2) 0.5095(7) -0.8133(5) 0.0721(18) Uani 1 1 d . . . . .
H34 H -0.0825 0.4570 -0.7651 0.087 Uiso 1 1 calc R . . . .
C30 C -0.1604(2) 0.6512(6) -0.8795(4) 0.0649(16) Uani 1 1 d . . . . .
H30 H -0.1859 0.7011 -0.8784 0.078 Uiso 1 1 calc R . . . .
C32 C -0.1136(3) 0.5809(9) -0.9595(6) 0.097(2) Uani 1 1 d . . . . .
H32 H -0.1058 0.5823 -1.0096 0.116 Uiso 1 1 calc R . . . .
C33 C -0.0886(3) 0.5080(8) -0.8879(6) 0.093(2) Uani 1 1 d . . . . .
H33 H -0.0634 0.4563 -0.8885 0.112 Uiso 1 1 calc R . . . .
C31 C -0.1512(3) 0.6533(8) -0.9558(5) 0.084(2) Uani 1 1 d . . . . .
H31 H -0.1701 0.7030 -1.0045 0.101 Uiso 1 1 calc R . . . .
O5 O -0.21812(13) 0.1762(3) -0.2230(3) 0.0502(10) Uani 1 1 d . . . . .
C25 C -0.13860(13) 0.0656(5) -0.6521(2) 0.0312(8) Uani 1 1 d . . . . .
H25 H -0.1618 0.0644 -0.7092 0.037 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
Zn1 O2 2.033(4) . ?
Zn1 N1 2.122(4) . ?
Zn1 C6 2.590(5) . ?
Zn1 O1 2.117(5) . ?
Zn1 O9 2.064(4) 4_444 ?
Zn1 O5 2.024(3) 1_545 ?
C13 C9 1.506(7) . ?
C13 O4 1.245(6) . ?
C13 O5 1.239(6) . ?
O2 C6 1.253(5) . ?
C7 C6 1.512(7) . ?
C7 C8 1.381(6) . ?
C7 C12 1.386(7) . ?
N1 C5 1.326(6) . ?
N1 C1 1.314(6) . ?
C6 O3 1.244(6) . ?
C10 C9 1.382(6) . ?
C10 C11 1.385(7) . ?
C9 C8 1.395(6) . ?
C11 C12 1.386(7) . ?
C11 N2 1.420(6) . ?
C16 C15 1.529(7) . ?
C16 C17 1.531(8) . ?
C20 C15 1.500(6) . ?
C20 C19 1.536(7) . ?
C20 C21 1.522(6) . ?
C3 C4 1.409(8) . ?
C3 C2 1.354(8) . ?
O6 C14 1.219(6) . ?
C14 C15 1.514(7) . ?
C14 N2 1.334(6) . ?
C5 C4 1.361(8) . ?
C1 C2 1.394(7) . ?
C19 C18 1.513(8) . ?
C17 C18 1.504(8) . ?
O7 C21 1.201(6) . ?
C21 N3 1.345(6) . ?
N3 C22 1.414(5) . ?
C22 C27 1.383(7) . ?
C22 C23 1.393(7) . ?
C27 C26 1.371(6) . ?
C23 C24 1.388(6) . ?
C24 C28 1.481(6) . ?
C24 C25 1.381(7) . ?
C26 C29 1.500(6) . ?
C26 C25 1.385(6) . ?
O10 C29 1.238(6) . ?
O4 Zn2 1.948(4) 4_444 ?
C29 O11 1.275(6) . ?
O11 Zn2 1.954(3) . ?
C28 O9 1.272(6) . ?
C28 O8 1.258(6) . ?
O9 Zn1 2.064(4) 4_454 ?
O8 Zn2 1.999(3) 1_545 ?
Zn2 O4 1.948(4) 4_454 ?
Zn2 O8 1.999(3) 1_565 ?
Zn2 N4 2.034(4) . ?
N4 C34 1.346(7) . ?
N4 C30 1.310(7) . ?
C34 C33 1.382(10) . ?
C30 C31 1.371(9) . ?
C32 C33 1.344(11) . ?
C32 C31 1.373(11) . ?
O5 Zn1 2.024(3) 1_565 ?

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
O2 Zn1 N1 90.11(15) . . ?
O2 Zn1 C6 28.32(14) . . ?
O2 Zn1 O1 90.0(2) . . ?
O2 Zn1 O9 103.35(13) . 4_444 ?
N1 Zn1 C6 86.25(15) . . ?
O1 Zn1 N1 178.8(3) . . ?
O1 Zn1 C6 94.4(2) . . ?
O9 Zn1 N1 89.22(14) 4_444 . ?
O9 Zn1 C6 131.24(15) 4_444 . ?
O9 Zn1 O1 89.6(3) 4_444 . ?
O5 Zn1 O2 150.31(14) 1_545 . ?
O5 Zn1 N1 89.81(16) 1_545 . ?
O5 Zn1 C6 122.15(15) 1_545 . ?
O5 Zn1 O1 90.7(2) 1_545 . ?
O5 Zn1 O9 106.34(13) 1_545 4_444 ?
O4 C13 C9 116.6(5) . . ?
O5 C13 C9 117.2(4) . . ?
O5 C13 O4 126.1(5) . . ?
C6 O2 Zn1 101.4(3) . . ?
C8 C7 C6 120.4(4) . . ?
C8 C7 C12 120.0(4) . . ?
C12 C7 C6 119.6(4) . . ?
C5 N1 Zn1 120.3(3) . . ?
C1 N1 Zn1 123.2(3) . . ?
C1 N1 C5 116.5(4) . . ?
O2 C6 Zn1 50.3(3) . . ?
O2 C6 C7 116.9(5) . . ?
C7 C6 Zn1 166.7(3) . . ?
O3 C6 Zn1 72.5(3) . . ?
O3 C6 O2 122.8(5) . . ?
O3 C6 C7 120.4(4) . . ?
C9 C10 C11 119.4(4) . . ?
C10 C9 C13 119.4(4) . . ?
C10 C9 C8 120.8(4) . . ?
C8 C9 C13 119.8(4) . . ?
C10 C11 C12 120.0(4) . . ?
C10 C11 N2 123.3(4) . . ?
C12 C11 N2 116.6(4) . . ?
C15 C16 C17 111.7(5) . . ?
C7 C8 C9 119.3(4) . . ?
C7 C12 C11 120.3(4) . . ?
C15 C20 C19 110.9(4) . . ?
C15 C20 C21 111.7(4) . . ?
C21 C20 C19 109.6(4) . . ?
C2 C3 C4 118.6(5) . . ?
O6 C14 C15 120.9(5) . . ?
O6 C14 N2 123.4(5) . . ?
N2 C14 C15 115.7(5) . . ?
C20 C15 C16 109.7(4) . . ?
C20 C15 C14 111.0(4) . . ?
C14 C15 C16 111.1(4) . . ?
C14 N2 C11 129.0(4) . . ?
N1 C5 C4 124.7(5) . . ?
N1 C1 C2 124.0(5) . . ?
C5 C4 C3 117.6(5) . . ?
C3 C2 C1 118.3(5) . . ?
C18 C19 C20 110.5(5) . . ?
C18 C17 C16 111.2(5) . . ?
C17 C18 C19 112.0(5) . . ?
O7 C21 C20 122.4(4) . . ?
O7 C21 N3 123.6(4) . . ?
N3 C21 C20 114.0(4) . . ?
C21 N3 C22 128.6(5) . . ?
C27 C22 N3 117.1(5) . . ?
C27 C22 C23 119.4(3) . . ?
C23 C22 N3 123.5(5) . . ?
C26 C27 C22 121.2(4) . . ?
C24 C23 C22 119.4(4) . . ?
C23 C24 C28 120.0(4) . . ?
C25 C24 C23 120.3(4) . . ?
C25 C24 C28 119.6(4) . . ?
C27 C26 C29 121.5(4) . . ?
C27 C26 C25 119.5(4) . . ?
C25 C26 C29 119.0(4) . . ?
C13 O4 Zn2 155.2(4) . 4_444 ?
O10 C29 C26 119.5(4) . . ?
O10 C29 O11 123.2(4) . . ?
O11 C29 C26 117.3(4) . . ?
C29 O11 Zn2 110.1(3) . . ?
O9 C28 C24 119.1(4) . . ?
O8 C28 C24 119.8(4) . . ?
O8 C28 O9 121.0(4) . . ?
C28 O9 Zn1 131.9(3) . 4_454 ?
C28 O8 Zn2 108.1(3) . 1_545 ?
O4 Zn2 O11 104.89(17) 4_454 . ?
O4 Zn2 O8 119.90(17) 4_454 1_565 ?
O4 Zn2 N4 112.72(18) 4_454 . ?
O11 Zn2 O8 97.72(12) . 1_565 ?
O11 Zn2 N4 112.35(18) . . ?
O8 Zn2 N4 108.24(17) 1_565 . ?
C34 N4 Zn2 120.0(4) . . ?
C30 N4 Zn2 123.6(4) . . ?
C30 N4 C34 115.8(5) . . ?
N4 C34 C33 122.5(6) . . ?
N4 C30 C31 124.7(7) . . ?
C33 C32 C31 117.4(7) . . ?
C32 C33 C34 120.5(7) . . ?
C30 C31 C32 119.1(7) . . ?
C13 O5 Zn1 131.3(3) . 1_565 ?
C24 C25 C26 120.2(3) . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.199 -0.085 0.488 1560 304 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'

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