#------------------------------------------------------------------------------
#$Date: 2021-08-26 10:51:01 +0300 (Thu, 26 Aug 2021) $
#$Revision: 268238 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/44/1564409.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1564409
loop_
_publ_author_name
'Zheng, Wei'
'Gao, Yan'
'Chen, NianNian'
'Wu, Bing'
'Jia, Dingxian'
'Zhao, Shengxian'
_publ_section_title
;
 Syntheses, crystal structures, and optical properties of polymeric
 iodoargentates containing transition metal-complexes with aromatic
 ligands
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119762
_journal_paper_doi               10.1016/j.ica.2020.119762
_journal_volume                  510
_journal_year                    2020
_chemical_formula_moiety         'C26 H30 Ag5 I7 N6 O2 Zn'
_chemical_formula_sum            'C26 H30 Ag5 I7 N6 O2 Zn'
_chemical_formula_weight         1951.58
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.664(3)
_cell_length_b                   14.164(3)
_cell_length_c                   23.592(5)
_cell_measurement_reflns_used    15735
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.0043
_cell_volume                     4565.9(17)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_unetI/netI     0.0488
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            44942
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         3.003
_exptl_absorpt_coefficient_mu    7.383
_exptl_absorpt_correction_T_max  0.3199
_exptl_absorpt_correction_T_min  0.1196
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'Light yellow'
_exptl_crystal_density_diffrn    2.839
_exptl_crystal_description       Block
_exptl_crystal_F_000             3520
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.792
_refine_diff_density_min         -0.723
_refine_diff_density_rms         0.143
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.49(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         8340
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0667
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0361P)²+25.1625P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1245
_reflns_Friedel_coverage         0.800
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                6839
_reflns_number_total             8340
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cifofcompound3.cif
_cod_data_source_block           SHELXL
_cod_database_code               1564409
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.120
_shelx_estimated_absorpt_t_max   0.320
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
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
Ag1 Ag 0.00415(15) 0.97627(13) 0.25791(8) 0.0760(5) Uani 1 1 d . . . . .
Ag2 Ag 0.14308(17) 0.83918(17) 0.33498(9) 0.0878(7) Uani 1 1 d . . . . .
Ag3 Ag -0.11682(18) 0.84129(17) 0.35222(10) 0.0943(7) Uani 1 1 d . . . . .
Ag4 Ag 0.13854(16) 0.62426(17) 0.29511(10) 0.0901(7) Uani 1 1 d . . . . .
Ag5 Ag -0.12532(17) 0.63550(17) 0.30410(10) 0.0919(7) Uani 1 1 d . . . . .
I1 I 0.00395(12) 0.76924(9) 0.24485(6) 0.0587(3) Uani 1 1 d . . . . .
I2 I 0.19296(11) 1.02667(12) 0.29522(7) 0.0672(4) Uani 1 1 d . . . . .
I3 I -0.17510(11) 1.02240(12) 0.30959(6) 0.0664(4) Uani 1 1 d . . . . .
I4 I -0.01026(12) 1.01928(10) 0.13512(6) 0.0684(4) Uani 1 1 d . . . . .
I5 I 0.03002(11) 0.85473(11) 0.43303(7) 0.0672(4) Uani 1 1 d . . . . .
I6 I 0.30113(13) 0.71475(13) 0.33577(9) 0.0840(5) Uani 1 1 d . . . . .
I7 I -0.27471(13) 0.71970(14) 0.36442(9) 0.0877(6) Uani 1 1 d . . . . .
Zn1 Zn 0.46380(18) 0.64153(17) 0.08143(10) 0.0558(6) Uani 1 1 d . . . . .
O1 O 0.4603(16) 0.5930(15) 0.1640(8) 0.110(4) Uani 1 1 d D . . . .
O2 O 0.5937(16) 0.7171(19) 0.1036(10) 0.131(5) Uani 1 1 d D . . . .
N1 N 0.4701(13) 0.7273(12) 0.0066(7) 0.057(4) Uani 1 1 d . . . . .
N2 N 0.3693(13) 0.7555(13) 0.1018(8) 0.061(5) Uani 1 1 d . . . . .
N3 N 0.3554(13) 0.5453(14) 0.0472(7) 0.061(5) Uani 1 1 d . . . . .
N4 N 0.5508(14) 0.5270(14) 0.0538(7) 0.065(5) Uani 1 1 d . . . . .
N5 N 0.499(2) 0.4824(16) 0.2287(9) 0.110(4) Uani 1 1 d D . . . .
N6 N 0.6997(19) 0.814(2) 0.1445(11) 0.131(5) Uani 1 1 d D . . . .
C1 C 0.525(2) 0.7110(18) -0.0395(9) 0.081(8) Uani 1 1 d . . . . .
H1 H 0.5609 0.6551 -0.0411 0.097 Uiso 1 1 calc R U . . .
C2 C 0.532(2) 0.772(2) -0.0843(8) 0.086(8) Uani 1 1 d . . . . .
H2 H 0.5682 0.7562 -0.1163 0.103 Uiso 1 1 calc R U . . .
C3 C 0.484(3) 0.855(2) -0.0808(14) 0.106(10) Uani 1 1 d . . . . .
H3 H 0.4893 0.8982 -0.1106 0.128 Uiso 1 1 calc R U . . .
C4 C 0.426(2) 0.879(2) -0.0323(13) 0.095(9) Uani 1 1 d . . . . .
H4 H 0.3923 0.9356 -0.0297 0.114 Uiso 1 1 calc R U . . .
C5 C 0.4245(16) 0.8101(15) 0.0121(9) 0.057(6) Uani 1 1 d . . . . .
C6 C 0.3668(15) 0.8254(15) 0.0646(10) 0.056(5) Uani 1 1 d . . . . .
C7 C 0.313(2) 0.9071(19) 0.0752(13) 0.093(9) Uani 1 1 d . . . . .
H7 H 0.3128 0.9557 0.0488 0.112 Uiso 1 1 calc R U . . .
C8 C 0.262(2) 0.916(2) 0.1242(13) 0.098(7) Uani 1 1 d . . . . .
H8 H 0.2274 0.9707 0.1317 0.117 Uiso 1 1 calc R U . . .
C9 C 0.263(2) 0.845(2) 0.1618(14) 0.098(7) Uani 1 1 d . . . . .
H9 H 0.2263 0.8481 0.1950 0.117 Uiso 1 1 calc R U . . .
C10 C 0.3182(17) 0.7681(18) 0.1494(10) 0.075(7) Uani 1 1 d . . . . .
H10 H 0.3210 0.7204 0.1764 0.090 Uiso 1 1 calc R U . . .
C11 C 0.261(2) 0.5613(18) 0.0427(11) 0.080(8) Uani 1 1 d . . . . .
H11 H 0.2359 0.6152 0.0599 0.095 Uiso 1 1 calc R U . . .
C12 C 0.197(2) 0.503(2) 0.0143(13) 0.097(9) Uani 1 1 d . . . . .
H12 H 0.1310 0.5182 0.0108 0.116 Uiso 1 1 calc R U . . .
C13 C 0.233(2) 0.424(3) -0.0080(13) 0.105(11) Uani 1 1 d . . . . .
H13 H 0.1915 0.3825 -0.0263 0.126 Uiso 1 1 calc R U . . .
C14 C 0.326(3) 0.405(2) -0.0049(11) 0.096(10) Uani 1 1 d . . . . .
H14 H 0.3491 0.3501 -0.0222 0.115 Uiso 1 1 calc R U . . .
C15 C 0.3934(18) 0.4639(18) 0.0239(10) 0.069(6) Uani 1 1 d . . . . .
C16 C 0.4999(19) 0.4545(15) 0.0290(9) 0.067(6) Uani 1 1 d . . . . .
C17 C 0.546(2) 0.372(2) 0.0093(14) 0.104(10) Uani 1 1 d . . . . .
H17 H 0.5110 0.3260 -0.0100 0.125 Uiso 1 1 calc R U . . .
C18 C 0.640(3) 0.363(3) 0.0189(14) 0.127(14) Uani 1 1 d . . . . .
H18 H 0.6716 0.3061 0.0103 0.153 Uiso 1 1 calc R U . . .
C19 C 0.695(3) 0.440(3) 0.0427(14) 0.109(11) Uani 1 1 d . . . . .
H19 H 0.7625 0.4375 0.0459 0.131 Uiso 1 1 calc R U . . .
C20 C 0.643(2) 0.515(2) 0.0603(15) 0.111(11) Uani 1 1 d . . . . .
H20 H 0.6775 0.5633 0.0786 0.133 Uiso 1 1 calc R U . . .
C21 C 0.466(2) 0.513(2) 0.1819(11) 0.110(4) Uani 1 1 d D . . . .
H21 H 0.4422 0.4665 0.1575 0.133 Uiso 1 1 calc R U . . .
C22A C 0.485(4) 0.384(2) 0.247(2) 0.110(4) Uani 0.5 1 d D . P . .
C22B C 0.527(4) 0.384(2) 0.239(2) 0.110(4) Uani 0.5 1 d D . P . .
C23 C 0.527(2) 0.5467(16) 0.2715(11) 0.110(4) Uani 1 1 d D . . . .
H23A H 0.5858 0.5780 0.2604 0.166 Uiso 1 1 calc R U . . .
H23B H 0.5372 0.5131 0.3063 0.166 Uiso 1 1 calc R U . . .
H23C H 0.4757 0.5925 0.2768 0.166 Uiso 1 1 calc R U . . .
C24 C 0.636(2) 0.753(3) 0.1420(14) 0.131(5) Uani 1 1 d D . . . .
H24 H 0.6163 0.7306 0.1773 0.158 Uiso 1 1 calc R U . . .
C25A C 0.757(4) 0.846(4) 0.0982(14) 0.131(5) Uani 0.5 1 d D . P . .
C25B C 0.777(4) 0.807(4) 0.1033(16) 0.131(5) Uani 0.5 1 d D . P . .
C26 C 0.734(2) 0.838(3) 0.2002(10) 0.131(5) Uani 1 1 d D . . . .
H26A H 0.6855 0.8765 0.2188 0.197 Uiso 1 1 calc R U . . .
H26B H 0.7940 0.8720 0.1974 0.197 Uiso 1 1 calc R U . . .
H26C H 0.7436 0.7812 0.2217 0.197 Uiso 1 1 calc R U . . .
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'
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'
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'
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
I3 Ag1 I2 127.08(9) . .
I3 Ag1 I1 106.00(8) . .
I2 Ag1 I1 106.58(8) . .
I3 Ag1 I4 108.52(8) . .
I2 Ag1 I4 108.28(8) . .
I1 Ag1 I4 95.86(7) . .
I3 Ag1 Ag4 58.28(7) . 4
I2 Ag1 Ag4 121.77(9) . 4
I1 Ag1 Ag4 128.67(9) . 4
I4 Ag1 Ag4 55.24(6) . 4
I3 Ag1 Ag5 119.44(8) . 4
I2 Ag1 Ag5 58.91(7) . 4
I1 Ag1 Ag5 131.49(9) . 4
I4 Ag1 Ag5 55.64(6) . 4
Ag4 Ag1 Ag5 70.27(7) 4 4
I6 Ag2 I5 118.25(10) . .
I6 Ag2 I2 113.54(10) . .
I5 Ag2 I2 109.04(9) . .
I6 Ag2 I1 106.56(9) . .
I5 Ag2 I1 105.14(9) . .
I2 Ag2 I1 102.76(8) . .
I5 Ag3 I7 122.24(10) . .
I5 Ag3 I3 112.36(9) . .
I7 Ag3 I3 112.06(10) . .
I5 Ag3 I1 101.15(9) . .
I7 Ag3 I1 106.61(9) . .
I3 Ag3 I1 98.70(8) . .
I6 Ag4 I4 123.04(10) . 4_545
I6 Ag4 I3 113.02(9) . 4_545
I4 Ag4 I3 109.91(9) 4_545 4_545
I6 Ag4 I1 108.38(9) . .
I4 Ag4 I1 102.12(8) 4_545 .
I3 Ag4 I1 96.27(8) 4_545 .
I6 Ag4 Ag1 163.87(11) . 4_545
I4 Ag4 Ag1 59.55(6) 4_545 4_545
I3 Ag4 Ag1 55.49(6) 4_545 4_545
I1 Ag4 Ag1 85.32(7) . 4_545
I7 Ag5 I4 117.96(10) . 4_545
I7 Ag5 I1 114.25(10) . .
I4 Ag5 I1 102.68(8) 4_545 .
I7 Ag5 I2 113.79(10) . 4_545
I4 Ag5 I2 107.44(9) 4_545 4_545
I1 Ag5 I2 98.45(8) . 4_545
I7 Ag5 Ag1 159.33(10) . 4_545
I4 Ag5 Ag1 58.80(7) 4_545 4_545
I1 Ag5 Ag1 85.69(7) . 4_545
I2 Ag5 Ag1 54.80(6) 4_545 4_545
Ag5 I1 Ag1 126.22(8) . .
Ag5 I1 Ag4 74.91(7) . .
Ag1 I1 Ag4 129.69(8) . .
Ag5 I1 Ag2 104.75(8) . .
Ag1 I1 Ag2 66.39(7) . .
Ag4 I1 Ag2 63.92(7) . .
Ag5 I1 Ag3 61.21(7) . .
Ag1 I1 Ag3 66.38(6) . .
Ag4 I1 Ag3 102.83(7) . .
Ag2 I1 Ag3 70.22(7) . .
Ag1 I2 Ag2 69.73(7) . .
Ag1 I2 Ag5 66.29(7) . 4
Ag2 I2 Ag5 131.42(9) . 4
Ag1 I3 Ag3 72.69(7) . .
Ag1 I3 Ag4 66.23(7) . 4
Ag3 I3 Ag4 134.02(9) . 4
Ag4 I4 Ag5 78.88(7) 4 4
Ag4 I4 Ag1 65.21(7) 4 .
Ag5 I4 Ag1 65.55(7) 4 .
Ag3 I5 Ag2 79.94(8) . .
Ag4 I6 Ag2 70.43(8) . .
Ag5 I7 Ag3 68.88(9) . .
O1 Zn1 N4 92.8(8) . .
O1 Zn1 N2 91.5(8) . .
N4 Zn1 N2 174.6(7) . .
O1 Zn1 O2 87.4(9) . .
N4 Zn1 O2 89.6(9) . .
N2 Zn1 O2 94.0(8) . .
O1 Zn1 N1 164.9(8) . .
N4 Zn1 N1 99.1(7) . .
N2 Zn1 N1 77.3(7) . .
O2 Zn1 N1 83.4(8) . .
O1 Zn1 N3 97.3(8) . .
N4 Zn1 N3 77.7(7) . .
N2 Zn1 N3 98.5(7) . .
O2 Zn1 N3 166.6(8) . .
N1 Zn1 N3 94.4(6) . .
C21 O1 Zn1 130(2) . .
C24 O2 Zn1 143(2) . .
C5 N1 C1 119.4(19) . .
C5 N1 Zn1 113.5(14) . .
C1 N1 Zn1 126.3(16) . .
C6 N2 C10 116(2) . .
C6 N2 Zn1 115.8(15) . .
C10 N2 Zn1 127.6(17) . .
C11 N3 C15 119(2) . .
C11 N3 Zn1 126.3(17) . .
C15 N3 Zn1 114.7(15) . .
C20 N4 C16 117(2) . .
C20 N4 Zn1 128(2) . .
C16 N4 Zn1 115.0(15) . .
C21 N5 C23 120(2) . .
C21 N5 C22A 122(3) . .
C23 N5 C22A 116(2) . .
C21 N5 C22B 124(3) . .
C23 N5 C22B 115(2) . .
C22A N5 C22B 23.8(11) . .
C24 N6 C25A 125(3) . .
C24 N6 C26 116(3) . .
C25A N6 C26 117(2) . .
C24 N6 C25B 116(4) . .
C25A N6 C25B 25.6(12) . .
C26 N6 C25B 113(2) . .
N1 C1 C2 124(3) . .
N1 C1 H1 118.2 . .
C2 C1 H1 118.2 . .
C3 C2 C1 118(3) . .
C3 C2 H2 120.9 . .
C1 C2 H2 120.9 . .
C2 C3 C4 121(3) . .
C2 C3 H3 119.4 . .
C4 C3 H3 119.4 . .
C5 C4 C3 116(3) . .
C5 C4 H4 122.1 . .
C3 C4 H4 122.1 . .
N1 C5 C4 121(2) . .
N1 C5 C6 117.2(18) . .
C4 C5 C6 121(2) . .
N2 C6 C7 121(2) . .
N2 C6 C5 115.5(19) . .
C7 C6 C5 123(2) . .
C8 C7 C6 120(3) . .
C8 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
C9 C8 C7 120(3) . .
C9 C8 H8 120.2 . .
C7 C8 H8 120.2 . .
C8 C9 C10 117(3) . .
C8 C9 H9 121.3 . .
C10 C9 H9 121.3 . .
N2 C10 C9 125(3) . .
N2 C10 H10 117.3 . .
C9 C10 H10 117.3 . .
N3 C11 C12 124(3) . .
N3 C11 H11 118.0 . .
C12 C11 H11 118.0 . .
C13 C12 C11 117(3) . .
C13 C12 H12 121.4 . .
C11 C12 H12 121.4 . .
C14 C13 C12 121(3) . .
C14 C13 H13 119.3 . .
C12 C13 H13 119.3 . .
C13 C14 C15 122(3) . .
C13 C14 H14 118.9 . .
C15 C14 H14 118.9 . .
N3 C15 C14 116(2) . .
N3 C15 C16 115(2) . .
C14 C15 C16 129(3) . .
N4 C16 C17 122(3) . .
N4 C16 C15 118(2) . .
C17 C16 C15 120(3) . .
C18 C17 C16 118(3) . .
C18 C17 H17 121.1 . .
C16 C17 H17 121.1 . .
C17 C18 C19 120(3) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
C20 C19 C18 117(3) . .
C20 C19 H19 121.5 . .
C18 C19 H19 121.5 . .
N4 C20 C19 125(4) . .
N4 C20 H20 117.3 . .
C19 C20 H20 117.3 . .
O1 C21 N5 130(3) . .
O1 C21 H21 115.0 . .
N5 C21 H21 115.0 . .
C22B C22A N5 78(3) . .
C22A C22B N5 78(3) . .
N5 C23 H23A 109.5 . .
N5 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
N5 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O2 C24 N6 133(4) . .
O2 C24 H24 113.5 . .
N6 C24 H24 113.5 . .
C25B C25A N6 79(3) . .
C25A C25B N6 75(3) . .
N6 C26 H26A 109.5 . .
N6 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N6 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 I3 2.813(3) .
Ag1 I2 2.818(3) .
Ag1 I1 2.949(2) .
Ag1 I4 2.967(3) .
Ag1 Ag4 3.124(3) 4
Ag1 Ag5 3.157(3) 4
Ag2 I6 2.787(3) .
Ag2 I5 2.790(3) .
Ag2 I2 2.898(3) .
Ag2 I1 3.019(3) .
Ag3 I5 2.774(3) .
Ag3 I7 2.775(3) .
Ag3 I3 2.868(3) .
Ag3 I1 3.191(3) .
Ag4 I6 2.738(3) .
Ag4 I4 2.827(3) 4_545
Ag4 I3 2.904(3) 4_545
Ag4 I1 3.001(3) .
Ag4 Ag1 3.124(3) 4_545
Ag5 I7 2.759(3) .
Ag5 I4 2.863(3) 4_545
Ag5 I1 2.943(3) .
Ag5 I2 2.953(3) 4_545
Ag5 Ag1 3.157(3) 4_545
I2 Ag5 2.953(3) 4
I3 Ag4 2.904(3) 4
I4 Ag4 2.827(3) 4
I4 Ag5 2.863(3) 4
Zn1 O1 2.066(19) .
Zn1 N4 2.114(19) .
Zn1 N2 2.122(19) .
Zn1 O2 2.14(2) .
Zn1 N1 2.145(16) .
Zn1 N3 2.169(19) .
O1 C21 1.22(2) .
O2 C24 1.19(2) .
N1 C5 1.33(3) .
N1 C1 1.34(3) .
N2 C6 1.32(3) .
N2 C10 1.34(3) .
N3 C11 1.31(3) .
N3 C15 1.38(3) .
N4 C20 1.28(3) .
N4 C16 1.37(3) .
N5 C21 1.27(2) .
N5 C23 1.41(2) .
N5 C22A 1.47(2) .
N5 C22B 1.47(2) .
N6 C24 1.23(2) .
N6 C25A 1.42(3) .
N6 C26 1.43(2) .
N6 C25B 1.45(3) .
C1 C2 1.37(3) .
C1 H1 0.9300 .
C2 C3 1.35(4) .
C2 H2 0.9300 .
C3 C4 1.43(4) .
C3 H3 0.9300 .
C4 C5 1.43(3) .
C4 H4 0.9300 .
C5 C6 1.48(3) .
C6 C7 1.39(3) .
C7 C8 1.36(4) .
C7 H7 0.9300 .
C8 C9 1.34(4) .
C8 H8 0.9300 .
C9 C10 1.36(4) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.38(3) .
C11 H11 0.9300 .
C12 C13 1.33(4) .
C12 H12 0.9300 .
C13 C14 1.30(4) .
C13 H13 0.9300 .
C14 C15 1.42(3) .
C14 H14 0.9300 .
C15 C16 1.47(3) .
C16 C17 1.40(3) .
C17 C18 1.32(4) .
C17 H17 0.9300 .
C18 C19 1.44(5) .
C18 H18 0.9300 .
C19 C20 1.35(4) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22A C22B 0.61(3) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24 0.9300 .
C25A C25B 0.64(3) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
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
C5 N1 C1 C2 -5(4) . . . .
Zn1 N1 C1 C2 -174.9(19) . . . .
N1 C1 C2 C3 3(4) . . . .
C1 C2 C3 C4 -1(5) . . . .
C2 C3 C4 C5 1(5) . . . .
C1 N1 C5 C4 5(3) . . . .
Zn1 N1 C5 C4 176.0(19) . . . .
C1 N1 C5 C6 -178.4(19) . . . .
Zn1 N1 C5 C6 -8(2) . . . .
C3 C4 C5 N1 -3(4) . . . .
C3 C4 C5 C6 -180(2) . . . .
C10 N2 C6 C7 0(3) . . . .
Zn1 N2 C6 C7 -175.1(18) . . . .
C10 N2 C6 C5 179.7(19) . . . .
Zn1 N2 C6 C5 5(2) . . . .
N1 C5 C6 N2 2(3) . . . .
C4 C5 C6 N2 179(2) . . . .
N1 C5 C6 C7 -178(2) . . . .
C4 C5 C6 C7 -2(4) . . . .
N2 C6 C7 C8 0(4) . . . .
C5 C6 C7 C8 180(2) . . . .
C6 C7 C8 C9 -1(5) . . . .
C7 C8 C9 C10 3(5) . . . .
C6 N2 C10 C9 2(4) . . . .
Zn1 N2 C10 C9 176(2) . . . .
C8 C9 C10 N2 -3(5) . . . .
C15 N3 C11 C12 -3(4) . . . .
Zn1 N3 C11 C12 171(2) . . . .
N3 C11 C12 C13 3(5) . . . .
C11 C12 C13 C14 -2(5) . . . .
C12 C13 C14 C15 2(5) . . . .
C11 N3 C15 C14 2(3) . . . .
Zn1 N3 C15 C14 -172.6(17) . . . .
C11 N3 C15 C16 178(2) . . . .
Zn1 N3 C15 C16 3(3) . . . .
C13 C14 C15 N3 -2(4) . . . .
C13 C14 C15 C16 -177(3) . . . .
C20 N4 C16 C17 -3(4) . . . .
Zn1 N4 C16 C17 -179(2) . . . .
C20 N4 C16 C15 177(2) . . . .
Zn1 N4 C16 C15 0(2) . . . .
N3 C15 C16 N4 -2(3) . . . .
C14 C15 C16 N4 173(2) . . . .
N3 C15 C16 C17 177(2) . . . .
C14 C15 C16 C17 -8(4) . . . .
N4 C16 C17 C18 5(4) . . . .
C15 C16 C17 C18 -174(3) . . . .
C16 C17 C18 C19 -7(5) . . . .
C17 C18 C19 C20 8(5) . . . .
C16 N4 C20 C19 3(4) . . . .
Zn1 N4 C20 C19 179(2) . . . .
C18 C19 C20 N4 -5(5) . . . .
Zn1 O1 C21 N5 151(3) . . . .
C23 N5 C21 O1 7(6) . . . .
C22A N5 C21 O1 170(4) . . . .
C22B N5 C21 O1 -161(4) . . . .
C21 N5 C22A C22B 102(9) . . . .
C23 N5 C22A C22B -94(7) . . . .
C21 N5 C22B C22A -94(9) . . . .
C23 N5 C22B C22A 97(7) . . . .
Zn1 O2 C24 N6 -159(4) . . . .
C25A N6 C24 O2 -14(8) . . . .
C26 N6 C24 O2 -179(4) . . . .
C25B N6 C24 O2 -42(7) . . . .
C24 N6 C25A C25B -76(10) . . . .
C26 N6 C25A C25B 89(7) . . . .
C24 N6 C25B C25A 118(9) . . . .
C26 N6 C25B C25A -104(7) . . . .
