# 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_x
_database_code_depnum_ccdc_archive 'CCDC 2164237'
loop_
_audit_author_name
_audit_author_address
Bo
;CCDC
China
;
_audit_update_record             
;
2022-08-09 deposited with the CCDC.	2022-08-10 downloaded from the CCDC.
;
_audit_creation_date             2022-08-01
_audit_creation_method           
;
Olex2 1.5-dev
(compiled 2022.07.25 svn.r36e0af09 for OlexSys, GUI svn.r6444)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag2 Bi1 I12.306, 2(C30 H24 N6 Zn1)'
_chemical_formula_sum            'C60 H48 Ag2 Bi I12.29 N12 Zn2'
_chemical_formula_weight         3052.59
_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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
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      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   17.3963(15)
_cell_length_b                   17.3963(15)
_cell_length_c                   22.9000(19)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     6001.8(11)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    3033
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.445
_cell_measurement_theta_min      2.234
_shelx_estimated_absorpt_T_max   0.378
_shelx_estimated_absorpt_T_min   0.296
_exptl_absorpt_coefficient_mu    8.049
_exptl_absorpt_correction_T_max  0.4999
_exptl_absorpt_correction_T_min  0.2959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2014'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    2.534
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       strip
_exptl_crystal_F_000             4142
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0447
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            9418
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.982
_diffrn_reflns_theta_max         24.982
_diffrn_reflns_theta_min         2.234
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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                1691
_reflns_number_total             2349
_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       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         0.769
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       0.000072(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     170
_refine_ls_number_reflns         2349
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0336
_refine_ls_restrained_S_all      1.047
_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)+(0.0220P)²+42.8404P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0661
_refine_ls_wR_factor_ref         0.0764
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid body (RIGU) restrains
 I2, I3, I4
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Sof(I2B)=0.5*(1-FVAR(2))
 Sof(I2)=Sof(I3)=Sof(I4)=0.5*FVAR(2)
 Fixed Sof: Ag1(0.33333)
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Bi1 Bi 0.666667 0.333333 0.833333 0.0427(2) Uani 1 6 d S T P A .
Ag1 Ag 0.66394(15) 0.52222(14) 0.79229(9) 0.0745(6) Uani 0.3333 1 d . . P A .
I1 I 0.66227(4) 0.47535(3) 0.91007(2) 0.05539(19) Uani 1 1 d . . . . .
I2 I 0.6692(9) 0.6895(7) 0.7579(5) 0.066(5) Uani 0.2755(14) 1 d . . P A -1
I3 I 0.667(2) 0.8224(16) 0.8332(14) 0.060(3) Uani 0.2755(14) 1 d . . P A -1
I4 I 0.6627(8) 0.9475(8) 0.9102(4) 0.094(3) Uani 0.2755(14) 1 d . . P A -1
I2B I 0.6557(9) 0.6639(9) 0.7609(6) 0.0474(17) Uani 0.2245(14) 1 d . . P A 2
Zn1 Zn 1.000000 1.000000 0.82445(6) 0.0342(3) Uani 1 3 d S T P . .
N1 N 0.9860(3) 0.8891(3) 0.7762(2) 0.0403(13) Uani 1 1 d . . . . .
N2 N 0.9048(3) 0.8884(3) 0.8747(2) 0.0380(13) Uani 1 1 d . . . . .
C1 C 1.0257(5) 0.8923(5) 0.7270(3) 0.0483(18) Uani 1 1 d . . . . .
H1 H 1.067529 0.947573 0.712415 0.058 Uiso 1 1 calc R U . . .
C2 C 1.0086(6) 0.8185(5) 0.6962(4) 0.061(2) Uani 1 1 d . . . . .
H2 H 1.038075 0.823185 0.661325 0.073 Uiso 1 1 calc R U . . .
C3 C 0.9484(6) 0.7388(5) 0.7173(4) 0.070(2) Uani 1 1 d . . . . .
H3 H 0.935158 0.687483 0.696835 0.084 Uiso 1 1 calc R U . . .
C4 C 0.9070(5) 0.7334(5) 0.7683(4) 0.061(2) Uani 1 1 d . . . . .
H4 H 0.865289 0.678282 0.783035 0.073 Uiso 1 1 calc R U . . .
C5 C 0.9267(4) 0.8094(5) 0.7982(3) 0.0411(16) Uani 1 1 d . . . . .
C6 C 0.8851(4) 0.8092(4) 0.8536(3) 0.0411(16) Uani 1 1 d . . . . .
C7 C 0.8289(5) 0.7329(5) 0.8834(4) 0.060(2) Uani 1 1 d . . . . .
H7 H 0.815850 0.677980 0.868527 0.072 Uiso 1 1 calc R U . . .
C8 C 0.7925(5) 0.7379(5) 0.9344(4) 0.060(2) Uani 1 1 d . . . . .
H8 H 0.755114 0.686518 0.955126 0.072 Uiso 1 1 calc R U . . .
C9 C 0.8107(5) 0.8176(5) 0.9550(3) 0.057(2) Uani 1 1 d . . . . .
H9 H 0.785735 0.822258 0.989758 0.068 Uiso 1 1 calc R U . . .
C10 C 0.8666(4) 0.8917(5) 0.9237(3) 0.0451(17) Uani 1 1 d . . . . .
H10 H 0.878188 0.946726 0.937573 0.054 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
Bi1 Ag1 3.4407(19) 3_665 y
Bi1 Ag1 3.4407(19) . y
Bi1 Ag1 3.4407(19) 17_556 y
Bi1 Ag1 3.4407(19) 2_655 y
Bi1 Ag1 3.4407(19) 16_656 y
Bi1 Ag1 3.4407(19) 18_546 y
Bi1 I1 3.0637(5) 17_556 y
Bi1 I1 3.0637(5) . y
Bi1 I1 3.0637(5) 18_546 y
Bi1 I1 3.0637(5) 3_665 y
Bi1 I1 3.0638(5) 16_656 y
Bi1 I1 3.0637(5) 2_655 y
Ag1 I1 3.133(2) 18_546 y
Ag1 I1 2.814(2) . y
Ag1 I1 3.068(2) 17_556 y
Ag1 I2 2.972(11) . y
Ag1 I2B 2.638(12) . y
I2 I3 2.90(2) . ?
I3 I4 2.83(2) . ?
Zn1 N1 2.129(5) 3_675 y
Zn1 N1 2.129(5) 2_765 y
Zn1 N1 2.129(5) . y
Zn1 N2 2.149(5) 3_675 y
Zn1 N2 2.149(5) . y
Zn1 N2 2.149(5) 2_765 y
N1 C1 1.308(8) . ?
N1 C5 1.346(8) . ?
N2 C6 1.334(8) . ?
N2 C10 1.321(8) . ?
C1 H1 0.9300 . ?
C1 C2 1.362(10) . ?
C2 H2 0.9300 . ?
C2 C3 1.342(11) . ?
C3 H3 0.9300 . ?
C3 C4 1.349(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.372(9) . ?
C5 C6 1.458(9) . ?
C6 C7 1.373(9) . ?
C7 H7 0.9300 . ?
C7 C8 1.352(10) . ?
C8 H8 0.9300 . ?
C8 C9 1.344(10) . ?
C9 H9 0.9300 . ?
C9 C10 1.365(9) . ?
C10 H10 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
Ag1 Bi1 Ag1 112.83(3) 3_665 2_655 y
Ag1 Bi1 Ag1 180.0 16_656 . y
Ag1 Bi1 Ag1 112.83(3) 16_656 18_546 y
Ag1 Bi1 Ag1 67.17(3) 3_665 16_656 y
Ag1 Bi1 Ag1 180.0 3_665 18_546 y
Ag1 Bi1 Ag1 67.17(3) 2_655 16_656 y
Ag1 Bi1 Ag1 67.17(3) . 18_546 y
Ag1 Bi1 Ag1 67.17(3) 3_665 17_556 y
Ag1 Bi1 Ag1 67.17(3) 17_556 . y
Ag1 Bi1 Ag1 180.0 2_655 17_556 y
Ag1 Bi1 Ag1 67.17(3) 2_655 18_546 y
Ag1 Bi1 Ag1 112.83(3) 16_656 17_556 y
Ag1 Bi1 Ag1 112.83(3) 17_556 18_546 y
Ag1 Bi1 Ag1 112.83(3) 3_665 . y
Ag1 Bi1 Ag1 112.83(3) 2_655 . y
I1 Bi1 Ag1 50.86(4) 16_656 16_656 y
I1 Bi1 Ag1 57.24(4) 17_556 3_665 y
I1 Bi1 Ag1 122.76(4) 17_556 18_546 y
I1 Bi1 Ag1 122.76(4) 18_546 16_656 y
I1 Bi1 Ag1 129.14(4) 17_556 2_655 y
I1 Bi1 Ag1 55.93(4) 2_655 16_656 y
I1 Bi1 Ag1 57.24(4) 2_655 18_546 y
I1 Bi1 Ag1 129.14(4) . 16_656 y
I1 Bi1 Ag1 124.07(4) 2_655 . y
I1 Bi1 Ag1 50.86(4) 3_665 3_665 y
I1 Bi1 Ag1 57.24(4) 16_656 2_655 y
I1 Bi1 Ag1 55.93(4) 16_656 3_665 y
I1 Bi1 Ag1 124.07(4) 16_656 18_546 y
I1 Bi1 Ag1 50.86(4) 17_556 17_556 y
I1 Bi1 Ag1 50.86(4) 2_655 2_655 y
I1 Bi1 Ag1 55.93(4) 3_665 17_556 y
I1 Bi1 Ag1 57.24(4) 3_665 16_656 y
I1 Bi1 Ag1 124.07(4) 18_546 17_556 y
I1 Bi1 Ag1 50.86(4) . . y
I1 Bi1 Ag1 129.14(4) 2_655 17_556 y
I1 Bi1 Ag1 124.07(4) 3_665 2_655 y
I1 Bi1 Ag1 57.24(4) . 17_556 y
I1 Bi1 Ag1 55.93(4) 18_546 2_655 y
I1 Bi1 Ag1 129.14(4) 18_546 3_665 y
I1 Bi1 Ag1 129.14(4) 3_665 18_546 y
I1 Bi1 Ag1 122.76(4) 2_655 3_665 y
I1 Bi1 Ag1 50.86(4) 18_546 18_546 y
I1 Bi1 Ag1 124.07(4) . 3_665 y
I1 Bi1 Ag1 55.93(4) . 18_546 y
I1 Bi1 Ag1 55.93(4) 17_556 . y
I1 Bi1 Ag1 122.76(4) . 2_655 y
I1 Bi1 Ag1 122.76(4) 3_665 . y
I1 Bi1 Ag1 124.07(4) 17_556 16_656 y
I1 Bi1 Ag1 129.14(4) 16_656 . y
I1 Bi1 Ag1 57.24(4) 18_546 . y
I1 Bi1 Ag1 122.76(4) 16_656 17_556 y
I1 Bi1 I1 90.371(14) 16_656 18_546 y
I1 Bi1 I1 89.628(14) 18_546 . y
I1 Bi1 I1 180.0 3_665 18_546 y
I1 Bi1 I1 180.0 17_556 2_655 y
I1 Bi1 I1 89.627(14) 17_556 3_665 y
I1 Bi1 I1 90.373(14) 3_665 2_655 y
I1 Bi1 I1 180.0 16_656 . y
I1 Bi1 I1 89.628(14) 16_656 2_655 y
I1 Bi1 I1 90.373(14) 2_655 . y
I1 Bi1 I1 89.628(14) 18_546 2_655 y
I1 Bi1 I1 90.373(14) 17_556 16_656 y
I1 Bi1 I1 89.626(14) 17_556 . y
I1 Bi1 I1 90.373(14) 17_556 18_546 y
I1 Bi1 I1 90.373(14) 3_665 . y
I1 Bi1 I1 89.627(14) 3_665 16_656 y
I1 Ag1 Bi1 55.80(3) 17_556 . y
I1 Ag1 Bi1 57.62(4) . . y
I1 Ag1 Bi1 55.32(3) 18_546 . y
I1 Ag1 I1 92.98(6) . 18_546 y
I1 Ag1 I1 94.38(6) . 17_556 y
I1 Ag1 I1 89.00(6) 17_556 18_546 y
I1 Ag1 I2 121.9(2) . . y
I2 Ag1 Bi1 177.7(3) . . y
I2 Ag1 I1 122.6(3) . 17_556 y
I2 Ag1 I1 126.8(3) . 18_546 y
I2B Ag1 Bi1 178.0(3) . . y
I2B Ag1 I1 122.3(3) . . y
I2B Ag1 I1 125.9(3) . 17_556 y
Bi1 I1 Ag1 68.27(4) . 18_546 ?
Bi1 I1 Ag1 67.44(4) . 17_556 ?
Ag1 I1 Bi1 71.52(4) . . ?
Ag1 I1 Ag1 80.53(5) . 18_546 ?
Ag1 I1 Ag1 79.40(4) . 17_556 ?
Ag1 I1 Ag1 135.16(7) 18_546 17_556 ?
I3 I2 Ag1 128.1(7) . . ?
I4 I3 I2 177.9(12) . . ?
N1 Zn1 N1 95.5(2) . 3_675 y
N1 Zn1 N1 95.5(2) 3_675 2_765 y
N1 Zn1 N1 95.5(2) . 2_765 y
N1 Zn1 N2 94.8(2) . 2_765 y
N1 Zn1 N2 94.8(2) 2_765 3_675 y
N1 Zn1 N2 94.8(2) 3_675 . y
N1 Zn1 N2 167.7(2) 3_675 2_765 y
N1 Zn1 N2 76.8(2) . . y
N1 Zn1 N2 76.8(2) 2_765 2_765 y
N1 Zn1 N2 167.67(19) 2_765 . y
N1 Zn1 N2 76.8(2) 3_675 3_675 y
N1 Zn1 N2 167.7(2) . 3_675 y
N2 Zn1 N2 94.0(2) 2_765 . y
N2 Zn1 N2 94.0(2) 2_765 3_675 y
N2 Zn1 N2 94.0(2) 3_675 . y
C1 N1 Zn1 126.1(5) . . ?
C1 N1 C5 118.9(6) . . ?
C5 N1 Zn1 114.9(4) . . ?
C6 N2 Zn1 115.0(4) . . ?
C10 N2 Zn1 126.4(5) . . ?
C10 N2 C6 118.5(6) . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 123.0(7) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 120.7 . . ?
C3 C2 C1 118.5(7) . . ?
C3 C2 H2 120.7 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.8(7) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.9(7) . . ?
C5 C4 H4 120.1 . . ?
N1 C5 C4 119.9(6) . . ?
N1 C5 C6 116.9(6) . . ?
C4 C5 C6 123.2(7) . . ?
N2 C6 C5 116.2(6) . . ?
N2 C6 C7 120.6(6) . . ?
C7 C6 C5 123.2(7) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 119.9(7) . . ?
C8 C7 H7 120.0 . . ?
C7 C8 H8 120.3 . . ?
C9 C8 C7 119.5(7) . . ?
C9 C8 H8 120.3 . . ?
C8 C9 H9 120.7 . . ?
C8 C9 C10 118.7(7) . . ?
C10 C9 H9 120.7 . . ?
N2 C10 C9 122.8(7) . . ?
N2 C10 H10 118.6 . . ?
C9 C10 H10 118.6 . . ?

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
_geom_hbond_publ_flag
C2 H2 I2B 0.93 3.20 3.855(15) 128.9 13_666 yes
C4 H4 I1 0.93 3.14 3.863(7) 135.9 17_556 yes
C7 H7 I1 0.93 3.32 3.983(7) 129.7 . yes
C9 H9 I2B 0.93 3.31 3.992(16) 132.4 6_565 yes

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
Zn1 N1 C1 C2 -174.9(6) . . . . ?
Zn1 N1 C5 C4 174.8(5) . . . . ?
Zn1 N1 C5 C6 -4.3(7) . . . . ?
Zn1 N2 C6 C5 -3.3(7) . . . . ?
Zn1 N2 C6 C7 176.4(6) . . . . ?
Zn1 N2 C10 C9 -175.9(5) . . . . ?
N1 C1 C2 C3 0.0(12) . . . . ?
N1 C5 C6 N2 5.2(9) . . . . ?
N1 C5 C6 C7 -174.6(6) . . . . ?
N2 C6 C7 C8 0.5(12) . . . . ?
C1 N1 C5 C4 -1.7(10) . . . . ?
C1 N1 C5 C6 179.2(6) . . . . ?
C1 C2 C3 C4 -0.6(13) . . . . ?
C2 C3 C4 C5 0.1(13) . . . . ?
C3 C4 C5 N1 1.1(12) . . . . ?
C3 C4 C5 C6 -179.9(7) . . . . ?
C4 C5 C6 N2 -173.9(7) . . . . ?
C4 C5 C6 C7 6.3(11) . . . . ?
C5 N1 C1 C2 1.2(11) . . . . ?
C5 C6 C7 C8 -179.7(7) . . . . ?
C6 N2 C10 C9 2.9(10) . . . . ?
C6 C7 C8 C9 1.1(13) . . . . ?
C7 C8 C9 C10 -0.7(12) . . . . ?
C8 C9 C10 N2 -1.3(11) . . . . ?
C10 N2 C6 C5 177.8(6) . . . . ?
C10 N2 C6 C7 -2.4(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
