# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_LCU-104
_database_code_depnum_ccdc_archive 'CCDC 1471147'
loop_
_audit_author_name
_audit_author_address
LCU
;Liaocheng University
China
;
_audit_update_record             
;
2022-04-11 deposited with the CCDC.	2022-04-25 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            'C34 H30 N26 O Zn3'
_chemical_formula_weight         1014.95

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      tetragonal
_space_group_IT_number           88
_space_group_name_H-M_alt        'I 41/a'
_space_group_name_Hall           '-I 4ad'

_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'
'-y+3/4, x+1/4, z+1/4'
'-x+1/2, -y, z+1/2'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-y+5/4, x+3/4, z+3/4'
'-x+1, -y+1/2, z+1'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'y-3/4, -x-1/4, -z-1/4'
'x-1/2, y, -z-1/2'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'y-1/4, -x+1/4, -z+1/4'
'x, y+1/2, -z'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   22.534(3)
_cell_length_b                   22.534(3)
_cell_length_c                   16.629(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8444(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3720
_cell_measurement_theta_min      2.98
_cell_measurement_theta_max      24.99

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_F_000             4112
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    1.756
_shelx_estimated_absorpt_T_min   0.720
_shelx_estimated_absorpt_T_max   0.743
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.7199
_exptl_absorpt_correction_T_max  0.7425
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Apex CCD area-detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35685
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_av_R_equivalents  0.0979
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.976
_diffrn_reflns_theta_max         24.992
_diffrn_reflns_theta_full        24.992
_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             3720
_reflns_number_gt                2417
_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       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0681P)²+28.1084P] 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         3720
_refine_ls_number_parameters     421
_refine_ls_number_restraints     620
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0702
_refine_ls_wR_factor_ref         0.1770
_refine_ls_wR_factor_gt          0.1545
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.048
_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
O1 O 0.7785(7) 0.7686(9) 0.1124(10) 0.229(11) Uani 0.5 1 d . . P . .
H1C H 0.8049 0.7418 0.1159 0.275 Uiso 0.5 1 d R U P . .
H1D H 0.7678 0.7712 0.0635 0.275 Uiso 0.5 1 d R U P . .
C1 C 0.9029(3) 0.7438(3) 0.7556(4) 0.0615(17) Uani 1 1 d . . . . .
C2 C 0.8719(3) 0.7103(3) 0.8102(4) 0.0672(18) Uani 1 1 d . . . . .
C3 C 0.9469(3) 0.6492(3) 1.0267(4) 0.0667(18) Uani 1 1 d . . . . .
C4 C 1.0272(3) 0.5677(3) 0.8927(4) 0.077(2) Uani 1 1 d . . . . .
C13 C 0.6016(15) 0.3686(14) 0.925(2) 0.104(6) Uani 0.326(11) 1 d D U P A 1
C14 C 0.5518(10) 0.3883(7) 0.9645(14) 0.099(5) Uani 0.326(11) 1 d D U P A 1
H14 H 0.5361 0.4253 0.9519 0.119 Uiso 0.326(11) 1 calc R U P A 1
C15 C 0.5252(8) 0.3545(7) 1.0219(13) 0.091(5) Uani 0.326(11) 1 d D U P A 1
H15 H 0.4921 0.3691 1.0487 0.109 Uiso 0.326(11) 1 calc R U P A 1
C16 C 0.6001(8) 0.2824(9) 1.0085(15) 0.100(6) Uani 0.326(11) 1 d D U P A 1
H16 H 0.6212 0.2509 1.0305 0.121 Uiso 0.326(11) 1 calc R U P A 1
C17 C 0.6224(10) 0.3125(11) 0.9435(14) 0.108(6) Uani 0.326(11) 1 d D U P A 1
H17 H 0.6517 0.2951 0.9118 0.129 Uiso 0.326(11) 1 calc R U P A 1
C13' C 0.6056(5) 0.3642(9) 0.9254(12) 0.106(4) Uani 0.674(11) 1 d D U P A 2
C14' C 0.5444(4) 0.3656(6) 0.9303(7) 0.099(4) Uani 0.674(11) 1 d D U P A 2
H14' H 0.5226 0.3892 0.8951 0.119 Uiso 0.674(11) 1 calc R U P A 2
C15' C 0.5160(4) 0.3321(6) 0.9869(7) 0.095(3) Uani 0.674(11) 1 d D U P A 2
H15' H 0.4747 0.3322 0.9885 0.114 Uiso 0.674(11) 1 calc R U P A 2
C16' C 0.6061(3) 0.2927(6) 1.0318(6) 0.088(4) Uani 0.674(11) 1 d D U P A 2
H16' H 0.6270 0.2666 1.0646 0.106 Uiso 0.674(11) 1 calc R U P A 2
C17' C 0.6354(3) 0.3250(6) 0.9743(6) 0.092(3) Uani 0.674(11) 1 d D U P A 2
H17' H 0.6762 0.3204 0.9683 0.111 Uiso 0.674(11) 1 calc R U P A 2
N1 N 0.8986(2) 0.6561(2) 0.8121(3) 0.0709(15) Uani 1 1 d . . . . .
N2 N 0.9445(2) 0.6559(3) 0.7603(3) 0.0718(15) Uani 1 1 d . . . . .
N3 N 0.9465(2) 0.7084(3) 0.7256(3) 0.0681(15) Uani 1 1 d . . . . .
N4 N 0.9333(3) 0.6793(2) 1.0930(3) 0.0752(16) Uani 1 1 d . . . . .
N5 N 0.8749(3) 0.6678(3) 1.1061(4) 0.092(2) Uani 1 1 d . . . . .
N6 N 0.8541(3) 0.6326(3) 1.0499(4) 0.091(2) Uani 1 1 d . . . . .
N7 N 0.8994(3) 0.6200(2) 0.9985(3) 0.0746(16) Uani 1 1 d . . . . .
N8 N 0.9728(3) 0.5475(2) 0.8770(4) 0.0823(18) Uani 1 1 d . . . . .
N9 N 0.9825(4) 0.4965(3) 0.8351(5) 0.119(3) Uani 1 1 d . . . . .
N10 N 1.0396(4) 0.4893(3) 0.8272(6) 0.141(3) Uani 1 1 d . . . . .
N11 N 1.0693(3) 0.5334(3) 0.8644(5) 0.119(3) Uani 1 1 d . . . . .
N13 N 0.5465(2) 0.2988(3) 1.0409(3) 0.0850(17) Uani 1 1 d D U . . .
Zn1 Zn 0.89301(4) 0.58647(3) 0.88816(5) 0.0729(3) Uani 1 1 d . . . . .
Zn2 Zn 0.5000 0.2500 1.13041(6) 0.0735(4) Uani 1 2 d S T P A .
N12 N 0.8327(19) 0.5232(11) 0.861(4) 0.075(5) Uani 0.326(11) 1 d D U P A 1
C5 C 0.7842(14) 0.5372(9) 0.815(2) 0.080(3) Uani 0.326(11) 1 d D U P A 1
H5 H 0.7774 0.5765 0.8008 0.096 Uiso 0.326(11) 1 calc R U P A 1
C6 C 0.7456(12) 0.4940(10) 0.790(2) 0.084(4) Uani 0.326(11) 1 d D U P A 1
H6 H 0.7142 0.5036 0.7566 0.101 Uiso 0.326(11) 1 calc R U P A 1
C7 C 0.7534(10) 0.4362(10) 0.8156(16) 0.086(4) Uani 0.326(11) 1 d D U P A 1
C8 C 0.8024(10) 0.4221(9) 0.8605(15) 0.081(4) Uani 0.326(11) 1 d D U P A 1
H8 H 0.8096 0.3828 0.8744 0.097 Uiso 0.326(11) 1 calc R U P A 1
C9 C 0.8410(10) 0.4656(12) 0.8851(14) 0.081(5) Uani 0.326(11) 1 d D U P A 1
H9 H 0.8728 0.4560 0.9182 0.097 Uiso 0.326(11) 1 calc R U P A 1
C10 C 0.7089(9) 0.3908(11) 0.791(2) 0.100(5) Uani 0.326(11) 1 d D U P A 1
H10A H 0.7156 0.3560 0.8239 0.120 Uiso 0.326(11) 1 calc R U P A 1
H10B H 0.7180 0.3797 0.7360 0.120 Uiso 0.326(11) 1 calc R U P A 1
C11 C 0.6438(9) 0.4043(12) 0.7944(14) 0.091(5) Uani 0.326(11) 1 d D U P A 1
H11A H 0.6354 0.4365 0.7573 0.109 Uiso 0.326(11) 1 calc R U P A 1
H11B H 0.6221 0.3697 0.7759 0.109 Uiso 0.326(11) 1 calc R U P A 1
C12 C 0.6210(16) 0.4211(9) 0.8751(14) 0.103(6) Uani 0.326(11) 1 d D U P A 1
H12A H 0.5876 0.4479 0.8685 0.124 Uiso 0.326(11) 1 calc R U P A 1
H12B H 0.6518 0.4424 0.9039 0.124 Uiso 0.326(11) 1 calc R U P A 1
C11' C 0.6774(6) 0.3675(5) 0.8062(6) 0.097(4) Uani 0.674(11) 1 d D U P A 2
H11C H 0.6547 0.3374 0.7781 0.116 Uiso 0.674(11) 1 calc R U P A 2
H11D H 0.7090 0.3478 0.8356 0.116 Uiso 0.674(11) 1 calc R U P A 2
C12' C 0.6389(7) 0.3991(6) 0.8626(8) 0.110(4) Uani 0.674(11) 1 d D U P A 2
H12C H 0.6099 0.4209 0.8312 0.132 Uiso 0.674(11) 1 calc R U P A 2
H12D H 0.6630 0.4282 0.8904 0.132 Uiso 0.674(11) 1 calc R U P A 2
C10' C 0.7038(6) 0.4104(5) 0.7461(6) 0.093(3) Uani 0.674(11) 1 d D U P A 2
H10C H 0.7239 0.3882 0.7041 0.112 Uiso 0.674(11) 1 calc R U P A 2
H10D H 0.6722 0.4332 0.7213 0.112 Uiso 0.674(11) 1 calc R U P A 2
C9' C 0.8400(5) 0.4700(5) 0.8512(7) 0.081(3) Uani 0.674(11) 1 d D U P A 2
H9' H 0.8755 0.4553 0.8717 0.097 Uiso 0.674(11) 1 calc R U P A 2
N12' N 0.8291(8) 0.5294(5) 0.8550(18) 0.071(3) Uani 0.674(11) 1 d D U P A 2
C7' C 0.7472(5) 0.4521(4) 0.7855(7) 0.081(3) Uani 0.674(11) 1 d D U P A 2
C8' C 0.7999(5) 0.4315(4) 0.8178(8) 0.086(3) Uani 0.674(11) 1 d D U P A 2
H8' H 0.8082 0.3911 0.8168 0.103 Uiso 0.674(11) 1 calc R U P A 2
C6' C 0.7349(5) 0.5118(5) 0.7947(9) 0.082(3) Uani 0.674(11) 1 d D U P A 2
H6' H 0.6986 0.5266 0.7774 0.099 Uiso 0.674(11) 1 calc R U P A 2
C5' C 0.7751(6) 0.5493(4) 0.8287(8) 0.075(3) Uani 0.674(11) 1 d D U P A 2
H5' H 0.7657 0.5892 0.8342 0.090 Uiso 0.674(11) 1 calc R U P A 2


_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
O1 H1C 0.8500 . ?
O1 H1D 0.8501 . ?
C1 N3 1.362(7) . ?
C1 C2 1.372(9) . ?
C1 C3 1.442(9) 10_677 ?
C2 N1 1.362(8) . ?
C2 C4 1.479(9) 10_677 ?
C3 N4 1.330(8) . ?
C3 N7 1.341(8) . ?
C3 C1 1.443(9) 16_757 ?
C4 N11 1.310(9) . ?
C4 N8 1.333(9) . ?
C4 C2 1.479(9) 16_757 ?
C13 C14 1.373(9) . ?
C13 C17 1.385(9) . ?
C13 C12 1.509(10) . ?
C14 C15 1.361(9) . ?
C14 H14 0.9300 . ?
C15 N13 1.380(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.372(9) . ?
C16 N13 1.373(9) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C13' C17' 1.376(8) . ?
C13' C14' 1.382(8) . ?
C13' C12' 1.508(9) . ?
C14' C15' 1.365(8) . ?
C14' H14' 0.9300 . ?
C15' N13 1.359(7) . ?
C15' H15' 0.9300 . ?
C16' N13 1.358(7) . ?
C16' C17' 1.372(8) . ?
C16' H16' 0.9300 . ?
C17' H17' 0.9300 . ?
N1 N2 1.346(7) . ?
N1 Zn1 2.019(6) . ?
N2 N3 1.315(7) . ?
N3 Zn2 2.200(5) 5_554 ?
N4 N5 1.358(8) . ?
N4 Zn2 2.235(6) 14_667 ?
N5 N6 1.312(8) . ?
N6 N7 1.361(7) . ?
N7 Zn1 1.989(6) . ?
N8 N9 1.362(7) . ?
N8 Zn1 2.009(6) . ?
N9 N10 1.304(9) . ?
N10 N11 1.350(9) . ?
N13 Zn2 2.126(5) . ?
Zn1 N12' 2.007(9) . ?
Zn1 N12 2.021(18) . ?
Zn2 N13 2.125(5) 7_554 ?
Zn2 N3 2.200(5) 3_665 ?
Zn2 N3 2.200(5) 5_445 ?
Zn2 N4 2.235(6) 12_758 ?
Zn2 N4 2.235(6) 14_567 ?
N12 C5 1.369(9) . ?
N12 C9 1.371(9) . ?
C5 C6 1.369(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.378(9) . ?
C6 H6 0.9300 . ?
C7 C8 1.372(9) . ?
C7 C10 1.490(10) . ?
C8 C9 1.371(9) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.499(10) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.486(10) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C11' C12' 1.463(9) . ?
C11' C10' 1.513(9) . ?
C11' H11C 0.9700 . ?
C11' H11D 0.9700 . ?
C12' H12C 0.9700 . ?
C12' H12D 0.9700 . ?
C10' C7' 1.508(8) . ?
C10' H10C 0.9700 . ?
C10' H10D 0.9700 . ?
C9' N12' 1.363(8) . ?
C9' C8' 1.371(8) . ?
C9' H9' 0.9300 . ?
N12' C5' 1.368(8) . ?
C7' C8' 1.382(8) . ?
C7' C6' 1.382(8) . ?
C8' H8' 0.9300 . ?
C6' C5' 1.362(8) . ?
C6' H6' 0.9300 . ?
C5' H5' 0.9300 . ?

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
H1C O1 H1D 108.2 . . ?
N3 C1 C2 106.7(6) . . ?
N3 C1 C3 116.7(6) . 10_677 ?
C2 C1 C3 136.6(6) . 10_677 ?
N1 C2 C1 106.6(5) . . ?
N1 C2 C4 121.5(6) . 10_677 ?
C1 C2 C4 131.8(7) . 10_677 ?
N4 C3 N7 110.9(6) . . ?
N4 C3 C1 119.5(6) . 16_757 ?
N7 C3 C1 129.6(6) . 16_757 ?
N11 C4 N8 113.3(6) . . ?
N11 C4 C2 122.6(7) . 16_757 ?
N8 C4 C2 124.1(6) . 16_757 ?
C14 C13 C17 117.8(7) . . ?
C14 C13 C12 104.3(18) . . ?
C17 C13 C12 137.7(19) . . ?
C15 C14 C13 120.9(8) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 N13 121.2(8) . . ?
C14 C15 H15 119.4 . . ?
N13 C15 H15 119.4 . . ?
C17 C16 N13 120.0(8) . . ?
C17 C16 H16 120.0 . . ?
N13 C16 H16 120.0 . . ?
C16 C17 C13 120.2(9) . . ?
C16 C17 H17 119.9 . . ?
C13 C17 H17 119.9 . . ?
C17' C13' C14' 117.9(6) . . ?
C17' C13' C12' 120.1(11) . . ?
C14' C13' C12' 121.7(11) . . ?
C15' C14' C13' 119.7(6) . . ?
C15' C14' H14' 120.1 . . ?
C13' C14' H14' 120.1 . . ?
N13 C15' C14' 121.7(6) . . ?
N13 C15' H15' 119.2 . . ?
C14' C15' H15' 119.2 . . ?
N13 C16' C17' 120.1(6) . . ?
N13 C16' H16' 120.0 . . ?
C17' C16' H16' 120.0 . . ?
C16' C17' C13' 121.1(6) . . ?
C16' C17' H17' 119.4 . . ?
C13' C17' H17' 119.4 . . ?
N2 N1 C2 109.0(5) . . ?
N2 N1 Zn1 116.5(4) . . ?
C2 N1 Zn1 133.2(4) . . ?
N3 N2 N1 107.8(5) . . ?
N2 N3 C1 110.0(5) . . ?
N2 N3 Zn2 135.9(4) . 5_554 ?
C1 N3 Zn2 114.1(5) . 5_554 ?
C3 N4 N5 105.0(6) . . ?
C3 N4 Zn2 111.8(5) . 14_667 ?
N5 N4 Zn2 139.1(4) . 14_667 ?
N6 N5 N4 110.3(6) . . ?
N5 N6 N7 107.9(6) . . ?
C3 N7 N6 106.0(5) . . ?
C3 N7 Zn1 124.5(4) . . ?
N6 N7 Zn1 127.2(5) . . ?
C4 N8 N9 103.9(6) . . ?
C4 N8 Zn1 131.0(4) . . ?
N9 N8 Zn1 124.0(5) . . ?
N10 N9 N8 108.4(6) . . ?
N9 N10 N11 110.5(6) . . ?
C4 N11 N10 103.9(6) . . ?
C16' N13 C15' 118.8(6) . . ?
C16 N13 C15 117.4(7) . . ?
C16' N13 Zn2 120.9(5) . . ?
C15' N13 Zn2 120.0(4) . . ?
C16 N13 Zn2 124.7(7) . . ?
C15 N13 Zn2 117.4(7) . . ?
N7 Zn1 N12' 123.2(10) . . ?
N7 Zn1 N8 100.7(2) . . ?
N12' Zn1 N8 109.7(6) . . ?
N7 Zn1 N1 106.1(2) . . ?
N12' Zn1 N1 111.7(7) . . ?
N8 Zn1 N1 103.1(2) . . ?
N7 Zn1 N12 121(2) . . ?
N8 Zn1 N12 105.9(14) . . ?
N1 Zn1 N12 116.8(13) . . ?
N13 Zn2 N13 91.2(3) 7_554 . ?
N13 Zn2 N3 173.8(2) 7_554 3_665 ?
N13 Zn2 N3 90.8(2) . 3_665 ?
N13 Zn2 N3 90.8(2) 7_554 5_445 ?
N13 Zn2 N3 173.8(2) . 5_445 ?
N3 Zn2 N3 87.9(3) 3_665 5_445 ?
N13 Zn2 N4 98.2(2) 7_554 12_758 ?
N13 Zn2 N4 97.7(2) . 12_758 ?
N3 Zn2 N4 75.8(2) 3_665 12_758 ?
N3 Zn2 N4 87.8(2) 5_445 12_758 ?
N13 Zn2 N4 97.7(2) 7_554 14_567 ?
N13 Zn2 N4 98.2(2) . 14_567 ?
N3 Zn2 N4 87.8(2) 3_665 14_567 ?
N3 Zn2 N4 75.8(2) 5_445 14_567 ?
N4 Zn2 N4 157.2(3) 12_758 14_567 ?
C5 N12 C9 119.3(8) . . ?
C5 N12 Zn1 119.9(16) . . ?
C9 N12 Zn1 120.8(15) . . ?
N12 C5 C6 120.7(8) . . ?
N12 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C7 120.0(8) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C8 C7 C6 119.0(7) . . ?
C8 C7 C10 122.3(18) . . ?
C6 C7 C10 118.7(19) . . ?
C9 C8 C7 120.5(8) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
N12 C9 C8 120.2(8) . . ?
N12 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C7 C10 C11 121(2) . . ?
C7 C10 H10A 107.2 . . ?
C11 C10 H10A 107.2 . . ?
C7 C10 H10B 107.2 . . ?
C11 C10 H10B 107.2 . . ?
H10A C10 H10B 106.8 . . ?
C12 C11 C10 115(3) . . ?
C12 C11 H11A 108.5 . . ?
C10 C11 H11A 108.5 . . ?
C12 C11 H11B 108.5 . . ?
C10 C11 H11B 108.5 . . ?
H11A C11 H11B 107.5 . . ?
C11 C12 C13 113(2) . . ?
C11 C12 H12A 108.9 . . ?
C13 C12 H12A 108.9 . . ?
C11 C12 H12B 108.9 . . ?
C13 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C12' C11' C10' 110.2(9) . . ?
C12' C11' H11C 109.6 . . ?
C10' C11' H11C 109.6 . . ?
C12' C11' H11D 109.6 . . ?
C10' C11' H11D 109.6 . . ?
H11C C11' H11D 108.1 . . ?
C11' C12' C13' 119.0(12) . . ?
C11' C12' H12C 107.6 . . ?
C13' C12' H12C 107.6 . . ?
C11' C12' H12D 107.6 . . ?
C13' C12' H12D 107.6 . . ?
H12C C12' H12D 107.0 . . ?
C7' C10' C11' 111.5(10) . . ?
C7' C10' H10C 109.3 . . ?
C11' C10' H10C 109.3 . . ?
C7' C10' H10D 109.3 . . ?
C11' C10' H10D 109.3 . . ?
H10C C10' H10D 108.0 . . ?
N12' C9' C8' 121.5(7) . . ?
N12' C9' H9' 119.3 . . ?
C8' C9' H9' 119.3 . . ?
C9' N12' C5' 117.8(6) . . ?
C9' N12' Zn1 120.8(9) . . ?
C5' N12' Zn1 121.1(7) . . ?
C8' C7' C6' 117.2(6) . . ?
C8' C7' C10' 121.1(9) . . ?
C6' C7' C10' 121.6(9) . . ?
C9' C8' C7' 120.7(6) . . ?
C9' C8' H8' 119.6 . . ?
C7' C8' H8' 119.6 . . ?
C5' C6' C7' 121.0(7) . . ?
C5' C6' H6' 119.5 . . ?
C7' C6' H6' 119.5 . . ?
C6' C5' N12' 121.5(7) . . ?
C6' C5' H5' 119.3 . . ?
N12' C5' H5' 119.3 . . ?

_refine_diff_density_max         0.462
_refine_diff_density_min         -0.452
_refine_diff_density_rms         0.067

