# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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_f
_database_code_depnum_ccdc_archive 'CCDC 2272075'
loop_
_audit_author_name
_audit_author_address
'Mohammad Mir'
;Aliah University
India
;
_audit_update_record             
;
2023-06-24 deposited with the CCDC.	2023-11-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H26 N2 O8 Zn2'
_chemical_formula_weight         817.39

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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   10.1102(10)
_cell_length_b                   12.4476(11)
_cell_length_c                   15.9753(16)
_cell_angle_alpha                107.400(3)
_cell_angle_beta                 90.586(4)
_cell_angle_gamma                106.080(3)
_cell_volume                     1833.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    592
_cell_measurement_theta_min      2.90
_cell_measurement_theta_max      25.50

_exptl_crystal_description       Block
_exptl_crystal_colour            Colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_F_000             832
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    1.365
_shelx_estimated_absorpt_T_min   0.772
_shelx_estimated_absorpt_T_max   0.947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6822
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'photon 100 CMOS'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            92560
_diffrn_reflns_av_unetI/netI     0.0145
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.793
_diffrn_reflns_theta_max         26.416
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             7486
_reflns_number_gt                6585
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0334P)²+1.6092P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7486
_refine_ls_number_parameters     568
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0273
_refine_ls_wR_factor_ref         0.0747
_refine_ls_wR_factor_gt          0.0712
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_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
Zn2 Zn 0.76718(2) 0.38111(2) 0.38844(2) 0.01952(7) Uani 1 1 d . . . . .
Zn1 Zn 0.71412(2) 1.12977(2) 0.17596(2) 0.02021(7) Uani 1 1 d . . . . .
O1 O 0.68693(15) 1.00744(12) 0.23095(10) 0.0319(3) Uani 1 1 d . . . . .
O2 O 0.8495(2) 0.95732(17) 0.14987(13) 0.0549(5) Uani 1 1 d . . . . .
O3 O 0.79337(15) 0.49668(12) 0.32673(9) 0.0292(3) Uani 1 1 d . . . . .
O4 O 0.65908(17) 0.56793(14) 0.42363(11) 0.0395(4) Uani 1 1 d . . . . .
O5 O 0.59065(13) 0.25655(12) 0.34487(9) 0.0255(3) Uani 1 1 d . . . . .
O6 O 0.55067(13) 0.18757(12) 0.19763(9) 0.0257(3) Uani 1 1 d . . . . .
O7 O -0.07113(13) 0.31982(12) 0.36807(9) 0.0243(3) Uani 1 1 d . . . . .
O8 O -0.10885(13) 0.25299(12) 0.22113(9) 0.0251(3) Uani 1 1 d . . . . .
N1 N 0.71688(17) 1.10002(14) 0.04537(10) 0.0261(3) Uani 1 1 d . . . . .
N2 N 0.77076(16) 0.41284(13) 0.51925(10) 0.0225(3) Uani 1 1 d . . . . .
C1 C 0.8281(3) 1.0780(2) 0.00576(15) 0.0396(5) Uani 1 1 d . . . . .
H1 H 0.898374 1.067153 0.039524 0.047 Uiso 1 1 calc R U . . .
C2 C 0.8451(4) 1.0705(2) -0.08038(18) 0.0603(8) Uani 1 1 d . . . . .
H2 H 0.925653 1.054912 -0.104765 0.072 Uiso 1 1 calc R U . . .
C3 C 0.7469(5) 1.0853(2) -0.13156(17) 0.0719(11) Uani 1 1 d . . . . .
C4 C 0.6293(4) 1.1050(2) -0.09206(19) 0.0656(10) Uani 1 1 d . . . . .
H4 H 0.556451 1.112711 -0.125703 0.079 Uiso 1 1 calc R U . . .
C5 C 0.6186(2) 1.11347(19) -0.00360(16) 0.0389(5) Uani 1 1 d . . . . .
H5 H 0.539173 1.129201 0.022573 0.047 Uiso 1 1 calc R U . . .
C6 C 0.7986(4) 1.0796(3) -0.2213(3) 0.0232(8) Uani 0.5 1 d . . P A 1
C7 C 0.7164(5) 1.0988(4) -0.2814(3) 0.0256(8) Uani 0.5 1 d . . P A 1
C6A C 0.6997(6) 1.0901(5) -0.2245(4) 0.0484(12) Uani 0.5 1 d . . P A 2
C7A C 0.7970(8) 1.0815(5) -0.2738(5) 0.0484(13) Uani 0.5 1 d . . P A 2
C8 C 0.7698(3) 1.0990(2) -0.36745(15) 0.0526(7) Uani 1 1 d . . . . .
C9 C 0.8974(3) 1.1025(2) -0.40123(17) 0.0485(6) Uani 1 1 d . . . . .
H9 H 0.971626 1.098030 -0.366732 0.058 Uiso 1 1 calc R U . . .
C10 C 0.9161(3) 1.1123(2) -0.48384(17) 0.0461(6) Uani 1 1 d . . . . .
H10 H 1.003200 1.114611 -0.506278 0.055 Uiso 1 1 calc R U . . .
C11 C 0.8094(3) 1.1187(2) -0.53428(15) 0.0471(6) Uani 1 1 d . . . . .
H11 H 0.822482 1.125078 -0.591600 0.057 Uiso 1 1 calc R U . . .
C12 C 0.6841(3) 1.1159(2) -0.50183(19) 0.0525(7) Uani 1 1 d . . . . .
H12 H 0.610352 1.120369 -0.536705 0.063 Uiso 1 1 calc R U . . .
C13 C 0.6650(3) 1.1069(2) -0.41990(19) 0.0573(8) Uani 1 1 d . . . . .
H13 H 0.577824 1.105912 -0.398016 0.069 Uiso 1 1 calc R U . . .
C14 C 0.7669(2) 0.94277(18) 0.20397(14) 0.0304(4) Uani 1 1 d . . . . .
C15 C 0.7564(2) 0.84605(17) 0.24415(13) 0.0257(4) Uani 1 1 d . . . . .
C16 C 0.6863(2) 0.84449(17) 0.31849(13) 0.0281(4) Uani 1 1 d . . . . .
H16 H 0.642594 0.903666 0.343090 0.034 Uiso 1 1 calc R U . . .
C17 C 0.6797(2) 0.75740(18) 0.35678(13) 0.0285(4) Uani 1 1 d . . . . .
H17 H 0.633316 0.758122 0.408274 0.034 Uiso 1 1 calc R U . . .
C18 C 0.74064(19) 0.66868(16) 0.32040(13) 0.0244(4) Uani 1 1 d . . . . .
C19 C 0.8103(2) 0.66971(18) 0.24580(13) 0.0282(4) Uani 1 1 d . . . . .
H19 H 0.852258 0.609557 0.220583 0.034 Uiso 1 1 calc R U . . .
C20 C 0.8187(2) 0.75811(18) 0.20798(14) 0.0303(4) Uani 1 1 d . . . . .
H20 H 0.867095 0.758597 0.157366 0.036 Uiso 1 1 calc R U . . .
C21 C 0.72857(19) 0.57234(17) 0.36139(13) 0.0256(4) Uani 1 1 d . . . . .
C22 C 0.6590(2) 0.42841(17) 0.56077(13) 0.0281(4) Uani 1 1 d . . . . .
H22 H 0.584054 0.435631 0.528671 0.034 Uiso 1 1 calc R U . . .
C23 C 0.6489(2) 0.43428(19) 0.64764(14) 0.0342(5) Uani 1 1 d . . . . .
H23 H 0.568421 0.446006 0.674491 0.041 Uiso 1 1 calc R U . . .
C24 C 0.7561(2) 0.42309(19) 0.69624(14) 0.0345(5) Uani 1 1 d . . . . .
C25 C 0.8733(2) 0.41066(19) 0.65386(14) 0.0337(5) Uani 1 1 d . . . . .
H25 H 0.950753 0.405905 0.685169 0.040 Uiso 1 1 calc R U . . .
C26 C 0.8768(2) 0.40528(17) 0.56676(13) 0.0269(4) Uani 1 1 d . . . . .
H26 H 0.957223 0.395846 0.538900 0.032 Uiso 1 1 calc R U . . .
C27 C 0.7467(4) 0.4230(2) 0.78804(17) 0.0611(9) Uani 1 1 d . . . . .
C28 C 0.8124(6) 0.4053(4) 0.8376(3) 0.0443(11) Uani 0.5 1 d . . P B 1
C29 C 0.7911(8) 0.4014(5) 0.9294(5) 0.0504(15) Uani 0.5 1 d . . P B 1
C30 C 0.8964(7) 0.3806(5) 0.9742(4) 0.0528(14) Uani 0.5 1 d . . P B 1
H30 H 0.976453 0.369683 0.946386 0.063 Uiso 0.5 1 calc R U P B 1
C31 C 0.8829(9) 0.3763(5) 1.0594(4) 0.0652(19) Uani 0.5 1 d . . P B 1
H31 H 0.953314 0.362012 1.090663 0.078 Uiso 0.5 1 calc R U P B 1
C32 C 0.7651(14) 0.3929(6) 1.0986(7) 0.075(3) Uani 0.5 1 d . . P B 1
H32 H 0.758461 0.392273 1.157773 0.090 Uiso 0.5 1 calc R U P B 1
C33 C 0.6576(19) 0.4104(9) 1.0562(6) 0.091(4) Uani 0.5 1 d . . P B 1
H33 H 0.576845 0.418407 1.084162 0.109 Uiso 0.5 1 calc R U P B 1
C34 C 0.6715(13) 0.4160(7) 0.9691(6) 0.072(2) Uani 0.5 1 d . . P B 1
H34 H 0.600393 0.429590 0.937964 0.086 Uiso 0.5 1 calc R U P B 1
C28A C 0.6528(5) 0.4022(4) 0.8321(3) 0.0371(10) Uani 0.5 1 d . . P B 2
C29A C 0.6537(8) 0.3953(5) 0.9228(4) 0.0449(15) Uani 0.5 1 d . . P B 2
C30A C 0.5274(7) 0.3790(5) 0.9596(4) 0.0525(14) Uani 0.5 1 d . . P B 2
H30A H 0.445351 0.369546 0.925143 0.063 Uiso 0.5 1 calc R U P B 2
C31A C 0.5202(9) 0.3766(5) 1.0462(4) 0.0639(18) Uani 0.5 1 d . . P B 2
H31A H 0.434006 0.365646 1.070572 0.077 Uiso 0.5 1 calc R U P B 2
C32A C 0.6405(13) 0.3902(5) 1.0968(6) 0.069(3) Uani 0.5 1 d . . P B 2
H32A H 0.637553 0.389825 1.156114 0.083 Uiso 0.5 1 calc R U P B 2
C33A C 0.7655(13) 0.4046(7) 1.0588(6) 0.070(3) Uani 0.5 1 d . . P B 2
H33A H 0.847498 0.412703 1.092731 0.084 Uiso 0.5 1 calc R U P B 2
C34A C 0.7728(10) 0.4072(5) 0.9750(5) 0.0559(19) Uani 0.5 1 d . . P B 2
H34A H 0.859351 0.417201 0.951082 0.067 Uiso 0.5 1 calc R U P B 2
C35 C 0.51497(18) 0.22724(15) 0.27363(12) 0.0210(4) Uani 1 1 d . . . . .
C36 C 0.37166(17) 0.23921(15) 0.27868(12) 0.0203(3) Uani 1 1 d . . . . .
C37 C 0.31816(19) 0.26600(17) 0.35974(12) 0.0245(4) Uani 1 1 d . . . . .
H37 H 0.372049 0.275531 0.411958 0.029 Uiso 1 1 calc R U . . .
C38 C 0.18623(19) 0.27879(17) 0.36433(12) 0.0239(4) Uani 1 1 d . . . . .
H38 H 0.149594 0.296702 0.419654 0.029 Uiso 1 1 calc R U . . .
C39 C 0.10763(17) 0.26543(15) 0.28810(12) 0.0203(3) Uani 1 1 d . . . . .
C40 C 0.16151(19) 0.23940(18) 0.20700(13) 0.0268(4) Uani 1 1 d . . . . .
H40 H 0.107921 0.230712 0.154905 0.032 Uiso 1 1 calc R U . . .
C41 C 0.2931(2) 0.22615(18) 0.20222(13) 0.0270(4) Uani 1 1 d . . . . .
H41 H 0.329659 0.208191 0.146885 0.032 Uiso 1 1 calc R U . . .
C42 C -0.03470(18) 0.28013(15) 0.29251(12) 0.0204(3) Uani 1 1 d . . . . .


_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
Zn2 O3 1.9375(13) . ?
Zn2 O5 1.9672(13) . ?
Zn2 O7 1.9783(12) 1_655 ?
Zn2 N2 2.0054(15) . ?
Zn1 O1 1.9337(14) . ?
Zn1 O8 1.9665(13) 1_665 ?
Zn1 O6 1.9723(12) 1_565 ?
Zn1 N1 2.0087(16) . ?
O1 C14 1.283(2) . ?
O2 C14 1.225(3) . ?
O3 C21 1.288(2) . ?
O4 C21 1.229(2) . ?
O5 C35 1.262(2) . ?
O6 C35 1.264(2) . ?
O7 C42 1.261(2) . ?
O8 C42 1.260(2) . ?
N1 C5 1.335(3) . ?
N1 C1 1.350(3) . ?
N2 C22 1.347(2) . ?
N2 C26 1.347(2) . ?
C1 C2 1.367(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.365(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.398(5) . ?
C3 C6 1.519(5) . ?
C3 C6A 1.578(7) . ?
C4 C5 1.393(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.380(6) . ?
C7 C8 1.482(5) . ?
C6A C7A 1.275(9) . ?
C7A C8 1.606(8) . ?
C8 C13 1.387(4) . ?
C8 C9 1.398(4) . ?
C9 C10 1.372(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.375(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.369(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.358(4) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.505(3) . ?
C15 C16 1.391(3) . ?
C15 C20 1.393(3) . ?
C16 C17 1.383(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(3) . ?
C18 C21 1.507(3) . ?
C19 C20 1.389(3) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C22 C23 1.374(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.393(3) . ?
C24 C27 1.471(3) . ?
C25 C26 1.374(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.137(6) . ?
C27 C28A 1.204(5) . ?
C28 C29 1.498(9) . ?
C29 C30 1.400(9) . ?
C29 C34 1.402(12) . ?
C30 C31 1.386(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.388(16) . ?
C31 H31 0.9500 . ?
C32 C33 1.376(18) . ?
C32 H32 0.9500 . ?
C33 C34 1.421(13) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C28A C29A 1.477(7) . ?
C29A C30A 1.401(9) . ?
C29A C34A 1.404(11) . ?
C30A C31A 1.395(8) . ?
C30A H30A 0.9500 . ?
C31A C32A 1.394(16) . ?
C31A H31A 0.9500 . ?
C32A C33A 1.398(17) . ?
C32A H32A 0.9500 . ?
C33A C34A 1.351(12) . ?
C33A H33A 0.9500 . ?
C34A H34A 0.9500 . ?
C35 C36 1.498(2) . ?
C36 C37 1.392(3) . ?
C36 C41 1.393(3) . ?
C37 C38 1.387(2) . ?
C37 H37 0.9500 . ?
C38 C39 1.389(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.393(3) . ?
C39 C42 1.500(2) . ?
C40 C41 1.385(3) . ?
C40 H40 0.9500 . ?
C41 H41 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
O3 Zn2 O5 111.00(6) . . ?
O3 Zn2 O7 105.23(6) . 1_655 ?
O5 Zn2 O7 112.47(6) . 1_655 ?
O3 Zn2 N2 126.55(6) . . ?
O5 Zn2 N2 102.16(6) . . ?
O7 Zn2 N2 98.89(6) 1_655 . ?
O1 Zn1 O8 111.77(6) . 1_665 ?
O1 Zn1 O6 105.12(6) . 1_565 ?
O8 Zn1 O6 113.83(6) 1_665 1_565 ?
O1 Zn1 N1 123.64(6) . . ?
O8 Zn1 N1 101.35(6) 1_665 . ?
O6 Zn1 N1 101.03(6) 1_565 . ?
C14 O1 Zn1 111.55(13) . . ?
C21 O3 Zn2 110.12(12) . . ?
C35 O5 Zn2 129.66(12) . . ?
C35 O6 Zn1 123.60(12) . 1_545 ?
C42 O7 Zn2 123.34(11) . 1_455 ?
C42 O8 Zn1 129.44(12) . 1_445 ?
C5 N1 C1 117.3(2) . . ?
C5 N1 Zn1 122.37(16) . . ?
C1 N1 Zn1 119.95(15) . . ?
C22 N2 C26 117.46(17) . . ?
C22 N2 Zn2 120.43(13) . . ?
C26 N2 Zn2 121.63(13) . . ?
N1 C1 C2 123.5(3) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C3 C2 C1 120.4(3) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 116.7(2) . . ?
C2 C3 C6 108.1(4) . . ?
C4 C3 C6 135.1(4) . . ?
C2 C3 C6A 147.5(4) . . ?
C4 C3 C6A 95.7(4) . . ?
C5 C4 C3 120.3(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
N1 C5 C4 121.7(3) . . ?
N1 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
C7 C6 C3 116.9(4) . . ?
C6 C7 C8 117.0(5) . . ?
C7A C6A C3 108.6(7) . . ?
C6A C7A C8 114.1(7) . . ?
C13 C8 C9 117.7(2) . . ?
C13 C8 C7 106.8(3) . . ?
C9 C8 C7 135.2(3) . . ?
C13 C8 C7A 140.4(4) . . ?
C9 C8 C7A 101.8(3) . . ?
C10 C9 C8 120.4(3) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 120.2(3) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C12 C11 C10 119.9(2) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C13 C12 C11 120.2(3) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C12 C13 C8 121.5(3) . . ?
C12 C13 H13 119.2 . . ?
C8 C13 H13 119.2 . . ?
O2 C14 O1 123.73(19) . . ?
O2 C14 C15 120.28(18) . . ?
O1 C14 C15 115.98(18) . . ?
C16 C15 C20 119.33(17) . . ?
C16 C15 C14 120.44(17) . . ?
C20 C15 C14 120.22(18) . . ?
C17 C16 C15 120.45(18) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 120.44(18) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C19 119.22(18) . . ?
C17 C18 C21 119.68(17) . . ?
C19 C18 C21 121.10(17) . . ?
C20 C19 C18 120.44(18) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C15 120.11(18) . . ?
C19 C20 H20 119.9 . . ?
C15 C20 H20 119.9 . . ?
O4 C21 O3 123.42(18) . . ?
O4 C21 C18 120.51(17) . . ?
O3 C21 C18 116.07(17) . . ?
N2 C22 C23 122.72(19) . . ?
N2 C22 H22 118.6 . . ?
C23 C22 H22 118.6 . . ?
C22 C23 C24 120.1(2) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 117.00(19) . . ?
C23 C24 C27 121.8(2) . . ?
C25 C24 C27 121.2(2) . . ?
C26 C25 C24 120.0(2) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
N2 C26 C25 122.69(19) . . ?
N2 C26 H26 118.7 . . ?
C25 C26 H26 118.7 . . ?
C28 C27 C24 134.9(4) . . ?
C28A C27 C24 134.7(4) . . ?
C27 C28 C29 131.3(6) . . ?
C30 C29 C34 121.0(8) . . ?
C30 C29 C28 116.6(6) . . ?
C34 C29 C28 122.4(7) . . ?
C31 C30 C29 119.4(7) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C30 C31 C32 119.2(8) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
C33 C32 C31 123.3(14) . . ?
C33 C32 H32 118.3 . . ?
C31 C32 H32 118.3 . . ?
C32 C33 C34 117.7(16) . . ?
C32 C33 H33 121.1 . . ?
C34 C33 H33 121.1 . . ?
C29 C34 C33 119.4(11) . . ?
C29 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C27 C28A C29A 130.6(5) . . ?
C30A C29A C34A 118.2(7) . . ?
C30A C29A C28A 117.3(6) . . ?
C34A C29A C28A 124.4(7) . . ?
C31A C30A C29A 120.9(7) . . ?
C31A C30A H30A 119.5 . . ?
C29A C30A H30A 119.5 . . ?
C30A C31A C32A 119.5(7) . . ?
C30A C31A H31A 120.2 . . ?
C32A C31A H31A 120.2 . . ?
C31A C32A C33A 118.9(11) . . ?
C31A C32A H32A 120.5 . . ?
C33A C32A H32A 120.5 . . ?
C34A C33A C32A 121.7(14) . . ?
C34A C33A H33A 119.2 . . ?
C32A C33A H33A 119.2 . . ?
C33A C34A C29A 120.7(11) . . ?
C33A C34A H34A 119.6 . . ?
C29A C34A H34A 119.6 . . ?
O5 C35 O6 124.86(16) . . ?
O5 C35 C36 118.12(16) . . ?
O6 C35 C36 117.02(16) . . ?
C37 C36 C41 119.99(16) . . ?
C37 C36 C35 120.19(16) . . ?
C41 C36 C35 119.81(16) . . ?
C38 C37 C36 120.03(17) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C37 C38 C39 120.03(17) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C38 C39 C40 119.96(16) . . ?
C38 C39 C42 120.41(16) . . ?
C40 C39 C42 119.62(16) . . ?
C41 C40 C39 120.11(17) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C36 119.88(17) . . ?
C40 C41 H41 120.1 . . ?
C36 C41 H41 120.1 . . ?
O8 C42 O7 124.66(16) . . ?
O8 C42 C39 118.21(16) . . ?
O7 C42 C39 117.13(16) . . ?

_refine_diff_density_max         0.612
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.052

