# 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_zx11-14
_database_code_depnum_ccdc_archive 'CCDC 2031935'
loop_
_audit_author_name
_audit_author_address
'Meirong Han'
;shanxi university
China
;
_audit_update_record             
;
2020-09-14 deposited with the CCDC.	2021-03-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H42 N4 O22 Zn3'
_chemical_formula_weight         1271.00

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.550(4)
_cell_length_b                   8.9510(18)
_cell_length_c                   14.051(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.10(3)
_cell_angle_gamma                90
_cell_volume                     2434.3(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7653
_cell_measurement_theta_min      2.13
_cell_measurement_theta_max      29.95

_exptl_crystal_description       rod
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_F_000             1296
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.561
_shelx_estimated_absorpt_T_min   0.745
_shelx_estimated_absorpt_T_max   0.860
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7467
_exptl_absorpt_correction_T_max  0.8596
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.720
_diffrn_radiation_type           synchrotron
_diffrn_source                   'synchrotron, 3W1A at BSRF'
_diffrn_measurement_device_type  mar555
_diffrn_measurement_method       'oscillation mode'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7496
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.540
_diffrn_reflns_theta_max         25.047
_diffrn_reflns_theta_full        25.047
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4149
_reflns_number_gt                3548
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'HKL 2000 (Otwinowski et al., 1997)'
_computing_cell_refinement       'Bruker SAINT (Bruker, 2000)'
_computing_data_reduction        'HKL 2000 (Otwinowski et al., 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0459P)²+0.4142P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4149
_refine_ls_number_parameters     368
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0284
_refine_ls_wR_factor_ref         0.0777
_refine_ls_wR_factor_gt          0.0749
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.05327(2) 0.60218(3) 0.85910(2) 0.00772(10) Uani 1 1 d . . . . .
Zn2 Zn 0.5000 1.0000 0.5000 0.00961(11) Uani 1 2 d S . P . .
N1 N 0.13648(10) 0.6976(2) 0.80690(13) 0.0089(4) Uani 1 1 d . . . . .
N2 N 0.41425(10) 0.9583(2) 0.57677(14) 0.0117(4) Uani 1 1 d . . . . .
O1 O 0.13383(8) 0.46158(17) 0.97873(12) 0.0115(4) Uani 1 1 d . . . . .
O2 O 0.05763(8) 0.37483(17) 0.85979(11) 0.0088(3) Uani 1 1 d . . . . .
O3 O -0.00322(8) 0.13000(17) 1.13811(11) 0.0110(3) Uani 1 1 d . . . . .
O4 O 0.00658(8) 0.32796(17) 1.04692(12) 0.0114(3) Uani 1 1 d . . . . .
O5 O 0.43480(8) 0.38155(18) 0.89567(12) 0.0134(4) Uani 1 1 d . . . . .
O6 O 0.44512(8) 0.1308(2) 0.90097(13) 0.0180(4) Uani 1 1 d . . . . .
O7 O 0.33560(9) 0.48756(19) 0.63547(13) 0.0164(4) Uani 1 1 d . . . . .
H7 H 0.3658 0.5225 0.6048 0.025 Uiso 1 1 calc R U . . .
O8 O 0.41694(8) 0.31329(19) 0.68045(12) 0.0162(4) Uani 1 1 d . . . . .
O9 O -0.01638(8) 0.61330(17) 0.73696(11) 0.0111(4) Uani 1 1 d . . . . .
H9A H -0.0123 0.5469 0.6980 0.017 Uiso 1 1 d R U . . .
H9B H -0.0219 0.6928 0.7080 0.017 Uiso 1 1 d R U . . .
O10 O 0.52701(8) 1.18933(18) 0.59197(12) 0.0143(4) Uani 1 1 d . . . . .
H10B H 0.4934 1.2269 0.6116 0.021 Uiso 1 1 d R U . . .
H10A H 0.5438 1.2513 0.5591 0.021 Uiso 1 1 d R U . . .
O11 O 0.57872(9) 0.09145(18) 0.97759(12) 0.0161(4) Uani 1 1 d . . . . .
H11A H 0.5418 0.0972 0.9419 0.024 Uiso 1 1 d R U . . .
H11B H 0.5764 0.0218 1.0149 0.024 Uiso 1 1 d R U . . .
C1 C 0.17362(11) 0.1205(2) 0.93124(16) 0.0081(5) Uani 1 1 d . . . . .
C2 C 0.11876(11) 0.1949(2) 0.96622(15) 0.0067(4) Uani 1 1 d . . . . .
C3 C 0.08162(11) 0.1213(2) 1.03128(16) 0.0080(5) Uani 1 1 d . . . . .
C4 C 0.09897(12) -0.0256(2) 1.05903(16) 0.0091(5) Uani 1 1 d . . . . .
H4 H 0.0739 -0.0750 1.1030 0.011 Uiso 1 1 calc R U . . .
C5 C 0.15198(12) -0.1001(2) 1.02352(17) 0.0103(5) Uani 1 1 d . . . . .
H5 H 0.1625 -0.2006 1.0417 0.012 Uiso 1 1 calc R U . . .
C6 C 0.18962(12) -0.0267(3) 0.96101(16) 0.0096(5) Uani 1 1 d . . . . .
H6 H 0.2268 -0.0769 0.9380 0.011 Uiso 1 1 calc R U . . .
C7 C 0.21884(12) 0.1902(2) 0.86553(16) 0.0087(5) Uani 1 1 d . . . . .
C8 C 0.29061(12) 0.1844(2) 0.89387(17) 0.0096(5) Uani 1 1 d . . . . .
H8 H 0.3080 0.1396 0.9537 0.012 Uiso 1 1 calc R U . . .
C9 C 0.33697(12) 0.2422(2) 0.83723(16) 0.0096(5) Uani 1 1 d . . . . .
C10 C 0.31114(12) 0.3074(2) 0.74807(16) 0.0098(5) Uani 1 1 d . . . . .
C11 C 0.24003(12) 0.3116(3) 0.71836(17) 0.0106(5) Uani 1 1 d . . . . .
H11 H 0.2226 0.3545 0.6579 0.013 Uiso 1 1 calc R U . . .
C12 C 0.19422(12) 0.2535(2) 0.77665(16) 0.0100(5) Uani 1 1 d . . . . .
H12 H 0.1459 0.2570 0.7555 0.012 Uiso 1 1 calc R U . . .
C13 C 0.10228(11) 0.3551(2) 0.93526(16) 0.0083(5) Uani 1 1 d . . . . .
C14 C 0.02443(11) 0.1966(2) 1.07510(15) 0.0076(5) Uani 1 1 d . . . . .
C15 C 0.41264(12) 0.2508(3) 0.88011(17) 0.0118(5) Uani 1 1 d . . . . .
C16 C 0.36062(12) 0.3687(3) 0.68497(17) 0.0113(5) Uani 1 1 d . . . . .
C20 C 0.20134(12) 0.6428(3) 0.82728(16) 0.0096(5) Uani 1 1 d . . . . .
H17 H 0.2093 0.5611 0.8706 0.012 Uiso 1 1 calc R U . . .
C18 C 0.25648(12) 0.7006(3) 0.78781(16) 0.0112(5) Uani 1 1 d . . . . .
H18 H 0.3013 0.6591 0.8043 0.013 Uiso 1 1 calc R U . . .
C17 C 0.24623(12) 0.8204(3) 0.72369(16) 0.0094(5) Uani 1 1 d . . . . .
C19 C 0.17915(12) 0.8782(3) 0.70326(17) 0.0098(5) Uani 1 1 d . . . . .
H20 H 0.1700 0.9605 0.6607 0.012 Uiso 1 1 calc R U . . .
C21 C 0.12641(12) 0.8145(2) 0.74548(16) 0.0101(5) Uani 1 1 d . . . . .
H21 H 0.0812 0.8546 0.7307 0.012 Uiso 1 1 calc R U . . .
C25 C 0.42542(12) 0.9133(3) 0.66891(18) 0.0154(5) Uani 1 1 d . . . . .
H22 H 0.4716 0.9098 0.7006 0.018 Uiso 1 1 calc R U . . .
C23 C 0.37270(12) 0.8718(3) 0.71985(18) 0.0164(5) Uani 1 1 d . . . . .
H23 H 0.3831 0.8401 0.7848 0.020 Uiso 1 1 calc R U . . .
C22 C 0.30423(12) 0.8770(2) 0.67510(17) 0.0107(5) Uani 1 1 d . . . . .
C24 C 0.29244(12) 0.9312(3) 0.58071(18) 0.0140(5) Uani 1 1 d . . . . .
H25 H 0.2466 0.9422 0.5486 0.017 Uiso 1 1 calc R U . . .
C26 C 0.34812(12) 0.9687(3) 0.53465(18) 0.0136(5) Uani 1 1 d . . . . .
H26 H 0.3393 1.0033 0.4702 0.016 Uiso 1 1 calc R U . . .


_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 O4 1.9848(17) 3_567 ?
Zn1 O2 2.0368(16) . ?
Zn1 O9 2.0374(17) . ?
Zn1 N1 2.0616(19) . ?
Zn2 O5 2.0908(17) 2_656 ?
Zn2 O5 2.0908(17) 4_575 ?
Zn2 N2 2.150(2) . ?
Zn2 N2 2.150(2) 3_676 ?
Zn2 O10 2.1513(16) 3_676 ?
Zn2 O10 2.1514(16) . ?
N1 C20 1.352(3) . ?
N1 C21 1.353(3) . ?
N2 C25 1.344(3) . ?
N2 C26 1.347(3) . ?
O1 C13 1.247(3) . ?
O2 C13 1.287(3) . ?
O3 C14 1.252(3) . ?
O4 C14 1.273(3) . ?
O4 Zn1 1.9847(17) 3_567 ?
O5 C15 1.257(3) . ?
O5 Zn2 2.0908(17) 2_646 ?
O6 C15 1.261(3) . ?
O7 C16 1.326(3) . ?
O7 H7 0.8400 . ?
O8 C16 1.217(3) . ?
O9 H9A 0.8199 . ?
O9 H9B 0.8199 . ?
O10 H10B 0.8200 . ?
O10 H10A 0.8199 . ?
O11 H11A 0.8200 . ?
O11 H11B 0.8200 . ?
C1 C6 1.404(3) . ?
C1 C2 1.409(3) . ?
C1 C7 1.501(3) . ?
C2 C3 1.409(3) . ?
C2 C13 1.520(3) . ?
C3 C4 1.400(3) . ?
C3 C14 1.509(3) . ?
C4 C5 1.383(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.394(3) . ?
C7 C8 1.405(3) . ?
C8 C9 1.388(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.409(3) . ?
C9 C15 1.519(3) . ?
C10 C11 1.395(3) . ?
C10 C16 1.505(3) . ?
C11 C12 1.397(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C20 C18 1.381(3) . ?
C20 H17 0.9500 . ?
C18 C17 1.396(3) . ?
C18 H18 0.9500 . ?
C17 C19 1.401(3) . ?
C17 C22 1.492(3) . ?
C19 C21 1.383(3) . ?
C19 H20 0.9500 . ?
C21 H21 0.9500 . ?
C25 C23 1.386(3) . ?
C25 H22 0.9500 . ?
C23 C22 1.397(3) . ?
C23 H23 0.9500 . ?
C22 C24 1.401(3) . ?
C24 C26 1.384(3) . ?
C24 H25 0.9500 . ?
C26 H26 0.9500 . ?

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
O4 Zn1 O2 109.87(6) 3_567 . ?
O4 Zn1 O9 99.11(7) 3_567 . ?
O2 Zn1 O9 94.32(6) . . ?
O4 Zn1 N1 132.45(7) 3_567 . ?
O2 Zn1 N1 112.40(7) . . ?
O9 Zn1 N1 98.47(7) . . ?
O5 Zn2 O5 180.0 2_656 4_575 ?
O5 Zn2 N2 90.09(7) 2_656 . ?
O5 Zn2 N2 89.91(7) 4_575 . ?
O5 Zn2 N2 89.91(7) 2_656 3_676 ?
O5 Zn2 N2 90.09(7) 4_575 3_676 ?
N2 Zn2 N2 180.0 . 3_676 ?
O5 Zn2 O10 95.48(7) 2_656 3_676 ?
O5 Zn2 O10 84.52(7) 4_575 3_676 ?
N2 Zn2 O10 91.25(7) . 3_676 ?
N2 Zn2 O10 88.75(7) 3_676 3_676 ?
O5 Zn2 O10 84.52(7) 2_656 . ?
O5 Zn2 O10 95.48(7) 4_575 . ?
N2 Zn2 O10 88.75(7) . . ?
N2 Zn2 O10 91.26(7) 3_676 . ?
O10 Zn2 O10 180.00(9) 3_676 . ?
C20 N1 C21 117.6(2) . . ?
C20 N1 Zn1 122.53(15) . . ?
C21 N1 Zn1 119.74(15) . . ?
C25 N2 C26 117.4(2) . . ?
C25 N2 Zn2 120.19(16) . . ?
C26 N2 Zn2 122.37(16) . . ?
C13 O2 Zn1 99.43(13) . . ?
C14 O4 Zn1 104.20(14) . 3_567 ?
C15 O5 Zn2 139.08(16) . 2_646 ?
C16 O7 H7 109.5 . . ?
Zn1 O9 H9A 114.3 . . ?
Zn1 O9 H9B 119.1 . . ?
H9A O9 H9B 108.4 . . ?
Zn2 O10 H10B 112.6 . . ?
Zn2 O10 H10A 106.2 . . ?
H10B O10 H10A 108.4 . . ?
H11A O11 H11B 108.4 . . ?
C6 C1 C2 119.2(2) . . ?
C6 C1 C7 116.6(2) . . ?
C2 C1 C7 124.16(19) . . ?
C1 C2 C3 119.5(2) . . ?
C1 C2 C13 119.16(19) . . ?
C3 C2 C13 121.3(2) . . ?
C4 C3 C2 119.6(2) . . ?
C4 C3 C14 118.1(2) . . ?
C2 C3 C14 122.32(19) . . ?
C5 C4 C3 121.1(2) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C4 C5 C6 119.4(2) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C1 121.1(2) . . ?
C5 C6 H6 119.4 . . ?
C1 C6 H6 119.4 . . ?
C12 C7 C8 118.3(2) . . ?
C12 C7 C1 124.1(2) . . ?
C8 C7 C1 117.5(2) . . ?
C9 C8 C7 122.1(2) . . ?
C9 C8 H8 119.0 . . ?
C7 C8 H8 119.0 . . ?
C8 C9 C10 118.9(2) . . ?
C8 C9 C15 118.0(2) . . ?
C10 C9 C15 122.6(2) . . ?
C11 C10 C9 119.6(2) . . ?
C11 C10 C16 120.7(2) . . ?
C9 C10 C16 119.7(2) . . ?
C10 C11 C12 120.6(2) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 120.5(2) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
O1 C13 O2 122.0(2) . . ?
O1 C13 C2 120.7(2) . . ?
O2 C13 C2 117.19(19) . . ?
O3 C14 O4 122.2(2) . . ?
O3 C14 C3 119.61(19) . . ?
O4 C14 C3 118.16(19) . . ?
O5 C15 O6 127.1(2) . . ?
O5 C15 C9 114.1(2) . . ?
O6 C15 C9 118.7(2) . . ?
O8 C16 O7 124.7(2) . . ?
O8 C16 C10 122.9(2) . . ?
O7 C16 C10 112.41(19) . . ?
N1 C20 C18 122.7(2) . . ?
N1 C20 H17 118.6 . . ?
C18 C20 H17 118.6 . . ?
C20 C18 C17 119.9(2) . . ?
C20 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C17 C19 117.4(2) . . ?
C18 C17 C22 120.4(2) . . ?
C19 C17 C22 122.0(2) . . ?
C21 C19 C17 119.5(2) . . ?
C21 C19 H20 120.2 . . ?
C17 C19 H20 120.2 . . ?
N1 C21 C19 122.8(2) . . ?
N1 C21 H21 118.6 . . ?
C19 C21 H21 118.6 . . ?
N2 C25 C23 123.1(2) . . ?
N2 C25 H22 118.5 . . ?
C23 C25 H22 118.5 . . ?
C25 C23 C22 119.6(2) . . ?
C25 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C22 C24 117.2(2) . . ?
C23 C22 C17 121.6(2) . . ?
C24 C22 C17 121.1(2) . . ?
C26 C24 C22 119.4(2) . . ?
C26 C24 H25 120.3 . . ?
C22 C24 H25 120.3 . . ?
N2 C26 C24 123.2(2) . . ?
N2 C26 H26 118.4 . . ?
C24 C26 H26 118.4 . . ?

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
C6 C1 C2 C3 0.9(3) . . . . ?
C7 C1 C2 C3 -177.0(2) . . . . ?
C6 C1 C2 C13 179.0(2) . . . . ?
C7 C1 C2 C13 1.2(3) . . . . ?
C1 C2 C3 C4 -1.1(3) . . . . ?
C13 C2 C3 C4 -179.1(2) . . . . ?
C1 C2 C3 C14 177.1(2) . . . . ?
C13 C2 C3 C14 -0.9(3) . . . . ?
C2 C3 C4 C5 -0.1(3) . . . . ?
C14 C3 C4 C5 -178.4(2) . . . . ?
C3 C4 C5 C6 1.5(3) . . . . ?
C4 C5 C6 C1 -1.7(3) . . . . ?
C2 C1 C6 C5 0.5(3) . . . . ?
C7 C1 C6 C5 178.5(2) . . . . ?
C6 C1 C7 C12 125.6(2) . . . . ?
C2 C1 C7 C12 -56.5(3) . . . . ?
C6 C1 C7 C8 -51.2(3) . . . . ?
C2 C1 C7 C8 126.7(2) . . . . ?
C12 C7 C8 C9 1.4(3) . . . . ?
C1 C7 C8 C9 178.4(2) . . . . ?
C7 C8 C9 C10 -0.6(3) . . . . ?
C7 C8 C9 C15 171.4(2) . . . . ?
C8 C9 C10 C11 -0.4(3) . . . . ?
C15 C9 C10 C11 -172.1(2) . . . . ?
C8 C9 C10 C16 -179.1(2) . . . . ?
C15 C9 C10 C16 9.2(3) . . . . ?
C9 C10 C11 C12 0.7(3) . . . . ?
C16 C10 C11 C12 179.4(2) . . . . ?
C8 C7 C12 C11 -1.1(3) . . . . ?
C1 C7 C12 C11 -177.8(2) . . . . ?
C10 C11 C12 C7 0.0(3) . . . . ?
Zn1 O2 C13 O1 -6.9(2) . . . . ?
Zn1 O2 C13 C2 176.93(16) . . . . ?
C1 C2 C13 O1 -85.0(3) . . . . ?
C3 C2 C13 O1 93.1(3) . . . . ?
C1 C2 C13 O2 91.2(2) . . . . ?
C3 C2 C13 O2 -90.7(3) . . . . ?
Zn1 O4 C14 O3 11.0(2) 3_567 . . . ?
Zn1 O4 C14 C3 -168.15(15) 3_567 . . . ?
C4 C3 C14 O3 3.8(3) . . . . ?
C2 C3 C14 O3 -174.5(2) . . . . ?
C4 C3 C14 O4 -177.1(2) . . . . ?
C2 C3 C14 O4 4.7(3) . . . . ?
Zn2 O5 C15 O6 -35.8(4) 2_646 . . . ?
Zn2 O5 C15 C9 140.08(19) 2_646 . . . ?
C8 C9 C15 O5 -111.3(2) . . . . ?
C10 C9 C15 O5 60.4(3) . . . . ?
C8 C9 C15 O6 65.0(3) . . . . ?
C10 C9 C15 O6 -123.3(2) . . . . ?
C11 C10 C16 O8 -144.7(2) . . . . ?
C9 C10 C16 O8 34.0(3) . . . . ?
C11 C10 C16 O7 34.9(3) . . . . ?
C9 C10 C16 O7 -146.4(2) . . . . ?
C21 N1 C20 C18 -0.3(3) . . . . ?
Zn1 N1 C20 C18 175.92(17) . . . . ?
N1 C20 C18 C17 -0.3(3) . . . . ?
C20 C18 C17 C19 0.9(3) . . . . ?
C20 C18 C17 C22 -175.6(2) . . . . ?
C18 C17 C19 C21 -0.9(3) . . . . ?
C22 C17 C19 C21 175.5(2) . . . . ?
C20 N1 C21 C19 0.3(3) . . . . ?
Zn1 N1 C21 C19 -176.05(17) . . . . ?
C17 C19 C21 N1 0.3(3) . . . . ?
C26 N2 C25 C23 2.8(4) . . . . ?
Zn2 N2 C25 C23 -174.09(19) . . . . ?
N2 C25 C23 C22 -0.4(4) . . . . ?
C25 C23 C22 C24 -2.8(4) . . . . ?
C25 C23 C22 C17 174.3(2) . . . . ?
C18 C17 C22 C23 -32.0(3) . . . . ?
C19 C17 C22 C23 151.7(2) . . . . ?
C18 C17 C22 C24 145.0(2) . . . . ?
C19 C17 C22 C24 -31.3(3) . . . . ?
C23 C22 C24 C26 3.6(3) . . . . ?
C17 C22 C24 C26 -173.5(2) . . . . ?
C25 N2 C26 C24 -2.0(4) . . . . ?
Zn2 N2 C26 C24 174.89(18) . . . . ?
C22 C24 C26 N2 -1.3(4) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C26 H26 O5 0.95 2.49 3.068(3) 119.3 4_575
C24 H25 O1 0.95 2.44 3.367(3) 165.0 4_575
C23 H23 O10 0.95 2.66 3.470(3) 144.1 2_646
C25 H22 O5 0.95 2.44 3.012(3) 118.8 2_656
C21 H21 O3 0.95 2.55 3.136(3) 119.6 3_567
C19 H20 O1 0.95 2.65 3.465(3) 144.4 4_575
C20 H17 O1 0.95 2.43 3.113(3) 128.5 .
O11 H11B O6 0.82 1.89 2.704(2) 170.3 3_657
O11 H11A O6 0.82 1.92 2.704(2) 159.5 .
O10 H10A O11 0.82 1.99 2.813(2) 176.3 4_575
O10 H10B O8 0.82 2.04 2.857(2) 171.4 1_565
O9 H9B O2 0.82 1.96 2.769(2) 166.8 2_556
O9 H9A O3 0.82 1.81 2.615(2) 165.5 4_565
O7 H7 O11 0.84 1.80 2.635(2) 171.1 2_656

_refine_diff_density_max         0.344
_refine_diff_density_min         -0.457
_refine_diff_density_rms         0.074

