#------------------------------------------------------------------------------
#$Date: 2019-11-23 01:11:36 +0200 (Sat, 23 Nov 2019) $
#$Revision: 231737 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/63/4346350.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_4346350
loop_
_publ_author_name
'Lei, Xiao-Wu'
'Yue, Cheng-Yang'
'Zhao, Jian-Qiang'
'Han, Yong-Fang'
'Yang, Jiang-Tao'
'Meng, Rong-Rong'
'Gao, Chuan-Sheng'
'Ding, Hao'
'Wang, Chun-Yan'
'Chen, Wan-Dong'
'Hong, Mao-Chun'
_publ_section_title
;
 Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7]
 Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units:
 Syntheses, Crystal Structures, and Efficient Visible Light Responding
 Photocatalytic Properties.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10593
_journal_page_last               10603
_journal_paper_doi               10.1021/acs.inorgchem.5b01324
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         C40N8H33NiAg3I6
_chemical_formula_sum            'C40 H33 Ag3 I6 N8 Ni'
_chemical_formula_weight         1769.46
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.93
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.6467(10)
_cell_length_b                   13.5115(6)
_cell_length_c                   16.2150(7)
_cell_measurement_temperature    296(2)
_cell_volume                     4720.7(4)
_computing_cell_refinement       'APEX2 Software Suite (Bruker,2005)'
_computing_data_collection       'APEX2 Software Suite (Bruker,2005)'
_computing_data_reduction        'APEX2 Software Suite (Bruker,2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0159
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27730
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    5.581
_exptl_absorpt_correction_T_max  0.6053
_exptl_absorpt_correction_T_min  0.5088
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3264
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.122
_refine_diff_density_min         -0.926
_refine_diff_density_rms         0.085
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.015(13)
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         10720
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0247
_refine_ls_R_factor_gt           0.0224
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0187P)²+9.7992P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0472
_refine_ls_wR_factor_ref         0.0479
_reflns_number_gt                10153
_reflns_number_total             10720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01324_si_007.cif
_cod_data_source_block           C40N8H33NiAg3I6
_cod_original_cell_volume        4720.8(4)
_cod_original_sg_symbol_H-M      C2
_cod_database_code               4346350
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
I1 I 0.203009(14) 0.70133(2) 0.129191(18) 0.04007(7) Uani 1 1 d
I2 I 0.020368(14) 0.73553(2) -0.117088(19) 0.03997(7) Uani 1 1 d
I3 I 0.087649(14) 0.44279(2) 0.10989(2) 0.04478(7) Uani 1 1 d
I4 I 0.168541(15) 0.52665(2) -0.12973(2) 0.04727(8) Uani 1 1 d
Ni1 Ni 0.16167(2) 0.62219(4) -0.50517(3) 0.02546(10) Uani 1 1 d
I5 I 0.206225(19) 0.87321(3) -0.12569(2) 0.06463(11) Uani 1 1 d
Ag3 Ag 0.15919(2) 0.71430(3) -0.05506(3) 0.06001(11) Uani 1 1 d
Ag2 Ag 0.19007(2) 0.49298(4) 0.04760(3) 0.06163(12) Uani 1 1 d
Ag1 Ag 0.07173(2) 0.63878(3) 0.05009(3) 0.06286(12) Uani 1 1 d
I6 I 0.473972(14) 0.62414(2) 0.35098(2) 0.04618(7) Uani 1 1 d
N4 N 0.11038(15) 0.6991(3) -0.4400(2) 0.0309(7) Uani 1 1 d
C28 C 0.2087(2) 0.4733(3) -0.3554(3) 0.0411(11) Uani 1 1 d
H28 H 0.2399 0.5193 -0.3319 0.049 Uiso 1 1 calc
N1 N 0.22291(15) 0.5719(2) -0.5681(2) 0.0294(7) Uani 1 1 d
N5 N 0.08664(14) 0.5423(3) -0.5828(2) 0.0291(7) Uani 1 1 d
C1 C 0.2079(2) 0.5223(3) -0.6433(3) 0.0375(9) Uani 1 1 d
H1 H 0.1672 0.5005 -0.6670 0.045 Uiso 1 1 calc
N6 N 0.16745(16) 0.4929(2) -0.4328(2) 0.0312(7) Uani 1 1 d
N2 N 0.24565(15) 0.6802(2) -0.4257(2) 0.0311(7) Uani 1 1 d
N3 N 0.14109(15) 0.7518(2) -0.5787(2) 0.0292(7) Uani 1 1 d
C29 C 0.07809(18) 0.4525(3) -0.5526(3) 0.0323(8) Uani 1 1 d
C19 C 0.10919(19) 0.8189(3) -0.5485(3) 0.0298(8) Uani 1 1 d
C9 C 0.28213(18) 0.6019(3) -0.5332(3) 0.0302(8) Uani 1 1 d
C2 C 0.2496(2) 0.5019(3) -0.6872(3) 0.0416(11) Uani 1 1 d
H2 H 0.2371 0.4681 -0.7397 0.050 Uiso 1 1 calc
C21 C 0.0489(2) 0.5693(4) -0.6611(3) 0.0392(10) Uani 1 1 d
H21 H 0.0547 0.6311 -0.6826 0.047 Uiso 1 1 calc
C18 C 0.1002(2) 0.6704(4) -0.3664(3) 0.0405(10) Uani 1 1 d
H18 H 0.1089 0.6052 -0.3481 0.049 Uiso 1 1 calc
C30 C 0.12199(19) 0.4263(3) -0.4668(3) 0.0330(9) Uani 1 1 d
C17 C 0.0775(2) 0.7334(4) -0.3165(3) 0.0457(11) Uani 1 1 d
H17 H 0.0717 0.7113 -0.2652 0.055 Uiso 1 1 calc
C32 C 0.4304(3) 0.5899(4) 0.1116(3) 0.0539(13) Uani 1 1 d
H32 H 0.4304 0.5212 0.1154 0.065 Uiso 1 1 calc
C36 C 0.5414(2) 0.5927(4) 0.1083(3) 0.0404(10) Uani 1 1 d
C31 C 0.4828(2) 0.6395(3) 0.1089(3) 0.0387(10) Uani 1 1 d
C7 C 0.3131(3) 0.7604(4) -0.2997(3) 0.0483(12) Uani 1 1 d
H7 H 0.3181 0.7947 -0.2483 0.058 Uiso 1 1 calc
C10 C 0.29501(18) 0.6579(3) -0.4512(3) 0.0297(8) Uani 1 1 d
C5 C 0.3549(2) 0.6853(4) -0.4020(3) 0.0489(12) Uani 1 1 d
H5 H 0.3888 0.6686 -0.4200 0.059 Uiso 1 1 calc
C3 C 0.3096(2) 0.5321(4) -0.6525(3) 0.0454(11) Uani 1 1 d
H3 H 0.3386 0.5191 -0.6810 0.054 Uiso 1 1 calc
C11 C 0.1532(2) 0.7715(3) -0.6525(3) 0.0384(10) Uani 1 1 d
H11 H 0.1756 0.7250 -0.6730 0.046 Uiso 1 1 calc
C8 C 0.2547(2) 0.7311(4) -0.3515(3) 0.0406(10) Uani 1 1 d
H8 H 0.2204 0.7474 -0.3342 0.049 Uiso 1 1 calc
C12 C 0.1346(3) 0.8567(4) -0.7001(3) 0.0482(12) Uani 1 1 d
H12 H 0.1435 0.8670 -0.7518 0.058 Uiso 1 1 calc
N8 N 0.48071(19) 0.7393(3) 0.1040(2) 0.0436(9) Uani 1 1 d
C26 C 0.1611(3) 0.3208(4) -0.3439(3) 0.0469(12) Uani 1 1 d
H26 H 0.1586 0.2630 -0.3139 0.056 Uiso 1 1 calc
C38 C 0.6424(3) 0.6209(5) 0.1103(4) 0.0630(15) Uani 1 1 d
H38 H 0.6756 0.6639 0.1166 0.076 Uiso 1 1 calc
C25 C 0.1184(2) 0.3388(3) -0.4235(3) 0.0442(11) Uani 1 1 d
H25 H 0.0874 0.2928 -0.4481 0.053 Uiso 1 1 calc
C20 C 0.09593(18) 0.7935(3) -0.4677(3) 0.0308(8) Uani 1 1 d
N7 N 0.5881(2) 0.6564(3) 0.1136(3) 0.0525(11) Uani 1 1 d
H7A H 0.5830 0.7188 0.1191 0.063 Uiso 1 1 calc
C27 C 0.2072(2) 0.3878(4) -0.3089(3) 0.0480(12) Uani 1 1 d
H27 H 0.2367 0.3765 -0.2554 0.058 Uiso 1 1 calc
C24 C 0.0314(2) 0.3893(4) -0.5979(3) 0.0470(11) Uani 1 1 d
H24 H 0.0259 0.3281 -0.5751 0.056 Uiso 1 1 calc
C15 C 0.0721(2) 0.8604(3) -0.4203(3) 0.0401(10) Uani 1 1 d
H15 H 0.0624 0.9249 -0.4400 0.048 Uiso 1 1 calc
C22 C 0.0021(2) 0.5101(4) -0.7111(3) 0.0427(11) Uani 1 1 d
H22 H -0.0226 0.5308 -0.7655 0.051 Uiso 1 1 calc
C16 C 0.0634(2) 0.8292(4) -0.3438(3) 0.0468(12) Uani 1 1 d
H16 H 0.0481 0.8728 -0.3109 0.056 Uiso 1 1 calc
C39 C 0.6500(3) 0.5197(6) 0.0976(4) 0.0720(19) Uani 1 1 d
H39 H 0.6875 0.4963 0.0933 0.086 Uiso 1 1 calc
C23 C -0.0071(2) 0.4196(4) -0.6785(3) 0.0502(13) Uani 1 1 d
H23 H -0.0390 0.3787 -0.7103 0.060 Uiso 1 1 calc
C40 C 0.6031(3) 0.4563(5) 0.0915(4) 0.0628(15) Uani 1 1 d
H40 H 0.6079 0.3890 0.0834 0.075 Uiso 1 1 calc
C14 C 0.0897(2) 0.9078(3) -0.5920(3) 0.0436(11) Uani 1 1 d
H14 H 0.0684 0.9542 -0.5697 0.052 Uiso 1 1 calc
C6 C 0.3630(2) 0.7372(4) -0.3265(3) 0.0519(13) Uani 1 1 d
H6 H 0.4026 0.7567 -0.2935 0.062 Uiso 1 1 calc
C33 C 0.3770(3) 0.6440(5) 0.1087(4) 0.0651(16) Uani 1 1 d
H33 H 0.3415 0.6111 0.1115 0.078 Uiso 1 1 calc
C35 C 0.4299(3) 0.7921(4) 0.1003(3) 0.0545(13) Uani 1 1 d
H35 H 0.4309 0.8608 0.0966 0.065 Uiso 1 1 calc
C13 C 0.1026(3) 0.9258(4) -0.6687(3) 0.0522(13) Uani 1 1 d
H13 H 0.0896 0.9845 -0.6989 0.063 Uiso 1 1 calc
C4 C 0.3268(2) 0.5829(4) -0.5737(3) 0.0419(10) Uani 1 1 d
H4 H 0.3676 0.6036 -0.5487 0.050 Uiso 1 1 calc
C37 C 0.5470(3) 0.4928(4) 0.0977(3) 0.0519(13) Uani 1 1 d
H37 H 0.5141 0.4503 0.0946 0.062 Uiso 1 1 calc
C34 C 0.3767(3) 0.7459(5) 0.1018(4) 0.0628(15) Uani 1 1 d
H34 H 0.3411 0.7822 0.0983 0.075 Uiso 1 1 calc
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'
Ni Ni 0.3393 1.1124 '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'
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
Ag3 I1 Ag1 65.547(14) . .
Ag3 I1 Ag2 69.517(14) . .
Ag1 I1 Ag2 66.769(14) . .
Ag1 I2 Ag1 65.259(18) . 2
Ag1 I2 Ag3 64.427(13) . .
Ag1 I2 Ag3 128.485(17) 2 .
Ag1 I3 Ag2 71.838(15) . .
Ag2 I4 Ag3 73.754(16) . .
N4 Ni1 N1 168.40(14) . .
N4 Ni1 N5 94.98(13) . .
N1 Ni1 N5 94.45(13) . .
N4 Ni1 N6 94.64(13) . .
N1 Ni1 N6 93.82(13) . .
N5 Ni1 N6 78.69(13) . .
N4 Ni1 N3 78.99(13) . .
N1 Ni1 N3 93.42(13) . .
N5 Ni1 N3 95.31(13) . .
N6 Ni1 N3 170.93(13) . .
N4 Ni1 N2 92.54(13) . .
N1 Ni1 N2 78.88(13) . .
N5 Ni1 N2 170.27(13) . .
N6 Ni1 N2 94.56(13) . .
N3 Ni1 N2 92.19(13) . .
Ag3 I5 Ag2 128.944(19) . 4
I5 Ag3 I4 114.999(19) . .
I5 Ag3 I1 115.052(18) . .
I4 Ag3 I1 110.114(18) . .
I5 Ag3 I2 106.320(18) . .
I4 Ag3 I2 98.616(16) . .
I1 Ag3 I2 110.345(16) . .
I5 Ag3 Ag1 148.44(2) . .
I4 Ag3 Ag1 94.767(17) . .
I1 Ag3 Ag1 59.152(14) . .
I2 Ag3 Ag1 56.325(13) . .
I4 Ag2 I5 114.391(18) . 4_545
I4 Ag2 I3 119.567(19) . .
I5 Ag2 I3 110.96(2) 4_545 .
I4 Ag2 I1 104.796(18) . .
I5 Ag2 I1 112.083(18) 4_545 .
I3 Ag2 I1 92.572(16) . .
I4 Ag2 Ag1 91.709(16) . .
I5 Ag2 Ag1 153.770(19) 4_545 .
I3 Ag2 Ag1 53.020(13) . .
I1 Ag2 Ag1 55.025(13) . .
I3 Ag1 I2 135.90(2) . .
I3 Ag1 I2 108.814(17) . 2
I2 Ag1 I2 91.080(15) . 2
I3 Ag1 I1 96.552(15) . .
I2 Ag1 I1 109.505(17) . .
I2 Ag1 I1 116.301(19) 2 .
I3 Ag1 Ag1 100.397(12) . 2
I2 Ag1 Ag1 57.803(15) . 2
I2 Ag1 Ag1 56.937(14) 2 2
I1 Ag1 Ag1 163.029(11) . 2
I3 Ag1 Ag3 117.194(19) . .
I2 Ag1 Ag3 59.248(14) . .
I2 Ag1 Ag3 133.724(19) 2 .
I1 Ag1 Ag3 55.301(13) . .
Ag1 Ag1 Ag3 116.13(2) 2 .
I3 Ag1 Ag2 55.142(13) . .
I2 Ag1 Ag2 110.258(17) . .
I2 Ag1 Ag2 158.648(19) 2 .
I1 Ag1 Ag2 58.206(13) . .
Ag1 Ag1 Ag2 134.249(18) 2 .
Ag3 Ag1 Ag2 62.881(15) . .
C18 N4 C20 118.4(4) . .
C18 N4 Ni1 125.8(3) . .
C20 N4 Ni1 114.7(3) . .
N6 C28 C27 123.2(5) . .
N6 C28 H28 118.4 . .
C27 C28 H28 118.4 . .
C1 N1 C9 118.3(3) . .
C1 N1 Ni1 126.2(3) . .
C9 N1 Ni1 115.1(3) . .
C29 N5 C21 117.8(4) . .
C29 N5 Ni1 115.5(3) . .
C21 N5 Ni1 126.5(3) . .
N1 C1 C2 123.3(4) . .
N1 C1 H1 118.3 . .
C2 C1 H1 118.3 . .
C28 N6 C30 118.4(4) . .
C28 N6 Ni1 126.6(3) . .
C30 N6 Ni1 114.8(3) . .
C10 N2 C8 118.6(4) . .
C10 N2 Ni1 114.4(3) . .
C8 N2 Ni1 126.9(3) . .
C11 N3 C19 118.3(4) . .
C11 N3 Ni1 127.4(3) . .
C19 N3 Ni1 114.2(3) . .
N5 C29 C24 122.5(4) . .
N5 C29 C30 115.3(4) . .
C24 C29 C30 122.2(4) . .
N3 C19 C14 121.4(4) . .
N3 C19 C20 116.5(3) . .
C14 C19 C20 122.1(4) . .
N1 C9 C4 121.4(4) . .
N1 C9 C10 115.3(3) . .
C4 C9 C10 123.3(4) . .
C3 C2 C1 118.9(4) . .
C3 C2 H2 120.6 . .
C1 C2 H2 120.6 . .
N5 C21 C22 123.3(4) . .
N5 C21 H21 118.3 . .
C22 C21 H21 118.3 . .
N4 C18 C17 122.8(4) . .
N4 C18 H18 118.6 . .
C17 C18 H18 118.6 . .
N6 C30 C25 121.0(4) . .
N6 C30 C29 115.6(4) . .
C25 C30 C29 123.4(4) . .
C16 C17 C18 119.0(4) . .
C16 C17 H17 120.5 . .
C18 C17 H17 120.5 . .
C31 C32 C33 119.3(5) . .
C31 C32 H32 120.3 . .
C33 C32 H32 120.3 . .
N7 C36 C37 122.5(5) . .
N7 C36 C31 114.7(4) . .
C37 C36 C31 122.8(5) . .
N8 C31 C32 118.2(5) . .
N8 C31 C36 116.3(4) . .
C32 C31 C36 125.4(5) . .
C6 C7 C8 118.0(4) . .
C6 C7 H7 121.0 . .
C8 C7 H7 121.0 . .
N2 C10 C5 121.4(4) . .
N2 C10 C9 116.1(3) . .
C5 C10 C9 122.5(4) . .
C6 C5 C10 119.0(4) . .
C6 C5 H5 120.5 . .
C10 C5 H5 120.5 . .
C2 C3 C4 119.2(4) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
N3 C11 C12 123.9(4) . .
N3 C11 H11 118.1 . .
C12 C11 H11 118.1 . .
N2 C8 C7 122.8(4) . .
N2 C8 H8 118.6 . .
C7 C8 H8 118.6 . .
C13 C12 C11 117.8(4) . .
C13 C12 H12 121.1 . .
C11 C12 H12 121.1 . .
C35 N8 C31 123.3(5) . .
C27 C26 C25 120.0(4) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
N7 C38 C39 120.7(6) . .
N7 C38 H38 119.6 . .
C39 C38 H38 119.6 . .
C26 C25 C30 119.4(4) . .
C26 C25 H25 120.3 . .
C30 C25 H25 120.3 . .
N4 C20 C15 121.4(4) . .
N4 C20 C19 114.8(3) . .
C15 C20 C19 123.8(4) . .
C38 N7 C36 118.9(5) . .
C38 N7 H7A 120.6 . .
C36 N7 H7A 120.6 . .
C26 C27 C28 118.0(4) . .
C26 C27 H27 121.0 . .
C28 C27 H27 121.0 . .
C29 C24 C23 118.2(4) . .
C29 C24 H24 120.9 . .
C23 C24 H24 120.9 . .
C16 C15 C20 118.8(4) . .
C16 C15 H15 120.6 . .
C20 C15 H15 120.6 . .
C23 C22 C21 118.2(4) . .
C23 C22 H22 120.9 . .
C21 C22 H22 120.9 . .
C17 C16 C15 119.6(4) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C40 C39 C38 120.2(6) . .
C40 C39 H39 119.9 . .
C38 C39 H39 119.9 . .
C22 C23 C24 119.9(4) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C39 C40 C37 119.0(6) . .
C39 C40 H40 120.5 . .
C37 C40 H40 120.5 . .
C13 C14 C19 119.0(4) . .
C13 C14 H14 120.5 . .
C19 C14 H14 120.5 . .
C7 C6 C5 120.3(4) . .
C7 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
C34 C33 C32 120.3(6) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
N8 C35 C34 120.4(5) . .
N8 C35 H35 119.8 . .
C34 C35 H35 119.8 . .
C12 C13 C14 119.6(4) . .
C12 C13 H13 120.2 . .
C14 C13 H13 120.2 . .
C9 C4 C3 119.0(4) . .
C9 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
C36 C37 C40 118.6(5) . .
C36 C37 H37 120.7 . .
C40 C37 H37 120.7 . .
C35 C34 C33 118.4(6) . .
C35 C34 H34 120.8 . .
C33 C34 H34 120.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Ag3 2.8489(5) .
I1 Ag1 2.9750(6) .
I1 Ag2 3.0859(6) .
I2 Ag1 2.9102(5) .
I2 Ag1 2.9384(6) 2
I2 Ag3 3.0052(6) .
I3 Ag1 2.8049(5) .
I3 Ag2 2.8813(6) .
I4 Ag2 2.8018(5) .
I4 Ag3 2.8455(6) .
Ni1 N4 2.073(3) .
Ni1 N1 2.073(3) .
Ni1 N5 2.078(3) .
Ni1 N6 2.087(3) .
Ni1 N3 2.088(3) .
Ni1 N2 2.093(3) .
I5 Ag3 2.7941(6) .
I5 Ag2 2.8121(6) 4
Ag3 Ag1 3.1544(6) .
Ag2 I5 2.8121(6) 4_545
Ag2 Ag1 3.3363(7) .
Ag1 I2 2.9385(6) 2
Ag1 Ag1 3.1537(9) 2
N4 C18 1.342(5) .
N4 C20 1.358(5) .
C28 N6 1.340(5) .
C28 C27 1.385(7) .
C28 H28 0.9300 .
N1 C1 1.340(5) .
N1 C9 1.348(5) .
N5 C29 1.345(5) .
N5 C21 1.345(5) .
C1 C2 1.373(6) .
C1 H1 0.9300 .
N6 C30 1.351(5) .
N2 C10 1.339(5) .
N2 C8 1.346(5) .
N3 C11 1.335(5) .
N3 C19 1.342(5) .
C29 C24 1.382(6) .
C29 C30 1.483(6) .
C19 C14 1.393(6) .
C19 C20 1.473(6) .
C9 C4 1.390(6) .
C9 C10 1.479(6) .
C2 C3 1.364(7) .
C2 H2 0.9300 .
C21 C22 1.375(6) .
C21 H21 0.9300 .
C18 C17 1.378(6) .
C18 H18 0.9300 .
C30 C25 1.391(6) .
C17 C16 1.373(8) .
C17 H17 0.9300 .
C32 C31 1.375(7) .
C32 C33 1.402(9) .
C32 H32 0.9300 .
C36 N7 1.344(6) .
C36 C37 1.372(7) .
C36 C31 1.474(7) .
C31 N8 1.351(6) .
C7 C6 1.366(8) .
C7 C8 1.388(7) .
C7 H7 0.9300 .
C10 C5 1.395(6) .
C5 C6 1.374(7) .
C5 H5 0.9300 .
C3 C4 1.396(7) .
C3 H3 0.9300 .
C11 C12 1.377(7) .
C11 H11 0.9300 .
C8 H8 0.9300 .
C12 C13 1.373(8) .
C12 H12 0.9300 .
N8 C35 1.340(7) .
C26 C27 1.367(7) .
C26 C25 1.376(7) .
C26 H26 0.9300 .
C38 N7 1.337(7) .
C38 C39 1.402(9) .
C38 H38 0.9300 .
C25 H25 0.9300 .
C20 C15 1.398(6) .
N7 H7A 0.8600 .
C27 H27 0.9300 .
C24 C23 1.391(7) .
C24 H24 0.9300 .
C15 C16 1.382(7) .
C15 H15 0.9300 .
C22 C23 1.373(7) .
C22 H22 0.9300 .
C16 H16 0.9300 .
C39 C40 1.345(9) .
C39 H39 0.9300 .
C23 H23 0.9300 .
C40 C37 1.393(8) .
C40 H40 0.9300 .
C14 C13 1.385(7) .
C14 H14 0.9300 .
C6 H6 0.9300 .
C33 C34 1.382(9) .
C33 H33 0.9300 .
C35 C34 1.364(8) .
C35 H35 0.9300 .
C13 H13 0.9300 .
C4 H4 0.9300 .
C37 H37 0.9300 .
C34 H34 0.9300 .
