#------------------------------------------------------------------------------
#$Date: 2018-10-24 04:54:33 +0300 (Wed, 24 Oct 2018) $
#$Revision: 211603 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/16/7231684.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_7231684
loop_
_publ_author_name
'Wang, Rong-Yan'
'Zhang, Xiao'
'Yu, Jie-Hui'
'Xu, Ji-Qing'
_publ_section_title
;
 New photoluminescent iodoargentates with bisimidazole derivatives as
 countercations
;
_journal_issue                   63
_journal_name_full               'RSC Advances'
_journal_page_first              36150
_journal_paper_doi               10.1039/C8RA05760E
_journal_volume                  8
_journal_year                    2018
_chemical_formula_moiety         'Ag5 I6 1-, C14 H23 N4 1+, C3 H7 N O'
_chemical_formula_sum            'C17 H30 Ag5 I6 N5 O'
_chemical_formula_weight         1621.21
_space_group_crystal_system      monoclinic
_space_group_IT_number           8
_space_group_name_Hall           'C -2y'
_space_group_name_H-M_alt        'C 1 m 1'
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-10-05 deposited with the CCDC.
2018-10-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.59(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.078(4)
_cell_length_b                   21.543(4)
_cell_length_c                   7.9092(16)
_cell_measurement_reflns_used    13589
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.349
_cell_measurement_theta_min      3.012
_cell_volume                     3423.5(13)
_computing_cell_refinement       Process-auto
_computing_data_collection       Process-auto
_computing_data_reduction        Process-auto
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_unetI/netI     0.1410
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            13589
_diffrn_reflns_point_group_measured_fraction_full 0.939
_diffrn_reflns_point_group_measured_fraction_max 0.938
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_min         3.012
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    8.240
_exptl_absorpt_correction_T_max  0.404
_exptl_absorpt_correction_T_min  0.356
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Process-auto
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.145
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2912
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.775
_refine_diff_density_min         -0.947
_refine_diff_density_rms         0.125
_refine_ls_abs_structure_details
;
 Flack x determined using 2404 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.47(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         6062
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0298
_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)+(0.0111P)²+29.4440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0644
_reflns_Friedel_coverage         0.877
_reflns_Friedel_fraction_full    0.880
_reflns_Friedel_fraction_max     0.878
_reflns_number_gt                5724
_reflns_number_total             6062
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ra05760e2.cif
_cod_data_source_block           1
_cod_database_code               7231684
_shelx_shelxl_version_number     2018/3
_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'
'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_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 0.81308(6) 0.57692(6) 0.27216(15) 0.0578(3) Uani 1 1 d . . . . .
Ag2 Ag 0.87752(6) 0.62301(6) -0.17291(15) 0.0602(3) Uani 1 1 d . . . . .
Ag3 Ag 0.96371(6) 0.62269(6) 0.39022(15) 0.0584(3) Uani 1 1 d . . . . .
Ag4 Ag 1.02916(6) 0.57564(6) -0.05761(16) 0.0599(3) Uani 1 1 d . . . . .
Ag5 Ag 1.05461(10) 0.500000 0.4728(2) 0.0596(4) Uani 1 2 d S T P . .
Ag6 Ag 0.78383(9) 0.500000 -0.2544(2) 0.0591(4) Uani 1 2 d S T P . .
I1 I 0.91994(6) 0.500000 -0.28161(13) 0.0363(2) Uani 1 2 d S T P . .
I2 I 0.92050(6) 0.500000 0.21873(14) 0.0374(3) Uani 1 2 d S T P . .
I3 I 1.11781(6) 0.500000 0.20195(16) 0.0430(3) Uani 1 2 d S T P . .
I4 I 0.75602(4) 0.60972(4) -0.09200(10) 0.0406(2) Uani 1 1 d . . . . .
I5 I 0.98413(4) 0.68092(4) 0.08703(11) 0.0408(2) Uani 1 1 d . . . . .
I6 I 1.08591(4) 0.61113(4) 0.66846(10) 0.0414(2) Uani 1 1 d . . . . .
I7 I 0.72202(6) 0.500000 0.37018(16) 0.0418(3) Uani 1 2 d S T P . .
I8 I 0.85935(4) 0.68085(4) 0.49036(11) 0.0398(2) Uani 1 1 d . . . . .
N1 N 0.8563(6) 0.1423(6) 0.2951(17) 0.050(3) Uani 1 1 d . . . . .
H1 H 0.897187 0.141357 0.295601 0.060 Uiso 1 1 calc R U . . .
N2 N 0.4853(6) 0.3569(6) 0.2997(18) 0.052(3) Uani 1 1 d . . . . .
N3 N 0.7517(5) 0.1633(5) 0.2184(14) 0.033(2) Uani 1 1 d . . . . .
N4 N 0.5914(6) 0.3391(5) 0.3650(15) 0.039(3) Uani 1 1 d . . . . .
N5 N 0.2968(9) 0.500000 0.906(3) 0.049(4) Uani 1 2 d S T P . .
N6 N 0.5399(9) 0.500000 0.667(3) 0.052(5) Uani 1 2 d S T P . .
O1 O 0.3902(13) 0.500000 1.119(6) 0.168(15) Uani 1 2 d S T P . .
O2 O 0.4358(11) 0.500000 0.660(4) 0.135(10) Uani 1 2 d S T P . .
C1 C 0.8307(8) 0.1120(8) 0.412(2) 0.054(4) Uani 1 1 d . . . . .
H1A H 0.854140 0.087021 0.505600 0.064 Uiso 1 1 calc R U . . .
C2 C 0.7653(9) 0.1252(8) 0.365(2) 0.057(4) Uani 1 1 d . . . . .
H2 H 0.734954 0.111184 0.420823 0.068 Uiso 1 1 calc R U . . .
C3 C 0.8076(8) 0.1734(6) 0.181(2) 0.046(4) Uani 1 1 d . . . . .
C4 C 0.5745(8) 0.3756(7) 0.215(2) 0.048(4) Uani 1 1 d . . . . .
H4 H 0.602612 0.388549 0.151690 0.058 Uiso 1 1 calc R U . . .
C5 C 0.5098(8) 0.3889(8) 0.179(2) 0.057(4) Uani 1 1 d . . . . .
H5 H 0.485375 0.414848 0.088953 0.068 Uiso 1 1 calc R U . . .
C6 C 0.5354(8) 0.3295(7) 0.405(2) 0.043(3) Uani 1 1 d . . . . .
C7 C 0.6847(7) 0.1897(8) 0.123(2) 0.052(4) Uani 1 1 d . . . . .
H7A H 0.650598 0.160941 0.132905 0.062 Uiso 1 1 calc R U . . .
H7B H 0.680801 0.193881 -0.001937 0.062 Uiso 1 1 calc R U . . .
C8 C 0.6727(7) 0.2519(7) 0.1941(19) 0.041(3) Uani 1 1 d . . . . .
H8A H 0.630427 0.267921 0.119867 0.049 Uiso 1 1 calc R U . . .
H8B H 0.707142 0.280326 0.184337 0.049 Uiso 1 1 calc R U . . .
C9 C 0.6717(7) 0.2518(7) 0.3876(18) 0.042(3) Uani 1 1 d . . . . .
H9A H 0.637745 0.223103 0.399107 0.051 Uiso 1 1 calc R U . . .
H9B H 0.714312 0.237179 0.463463 0.051 Uiso 1 1 calc R U . . .
C10 C 0.6579(7) 0.3150(8) 0.448(2) 0.049(4) Uani 1 1 d . . . . .
H10A H 0.665409 0.313477 0.575592 0.058 Uiso 1 1 calc R U . . .
H10B H 0.689850 0.343955 0.426883 0.058 Uiso 1 1 calc R U . . .
C11 C 0.8169(10) 0.2135(8) 0.035(3) 0.063(4) Uani 1 1 d . . . . .
H11A H 0.781012 0.243573 0.002706 0.075 Uiso 1 1 calc R U . . .
H11B H 0.858220 0.236269 0.080837 0.075 Uiso 1 1 calc R U . . .
C12 C 0.8184(17) 0.1806(10) -0.124(3) 0.108(9) Uani 1 1 d . . . . .
H12A H 0.854209 0.151064 -0.093832 0.162 Uiso 1 1 calc R U . . .
H12B H 0.825105 0.209696 -0.208462 0.162 Uiso 1 1 calc R U . . .
H12C H 0.776981 0.159250 -0.173325 0.162 Uiso 1 1 calc R U . . .
C13 C 0.5306(11) 0.2899(8) 0.557(3) 0.076(6) Uani 1 1 d D . . . .
H13A H 0.571531 0.266507 0.601890 0.091 Uiso 1 1 calc R U . . .
H13B H 0.494556 0.260466 0.513231 0.091 Uiso 1 1 calc R U . . .
C14 C 0.519(2) 0.3262(12) 0.706(3) 0.151(14) Uani 1 1 d D . . . .
H14A H 0.560433 0.333166 0.796321 0.227 Uiso 1 1 calc R U . . .
H14B H 0.489657 0.303163 0.756071 0.227 Uiso 1 1 calc R U . . .
H14C H 0.498693 0.365302 0.662784 0.227 Uiso 1 1 calc R U . . .
C15 C 0.2675(17) 0.500000 0.709(4) 0.082(9) Uani 1 2 d S T P . .
H15A H 0.302608 0.497400 0.654965 0.123 Uiso 0.5 1 d R U P A -1
H15B H 0.242798 0.537610 0.671664 0.123 Uiso 0.5 1 d R U P A -1
H15C H 0.238368 0.464980 0.672904 0.123 Uiso 0.5 1 d R U P A -1
C16 C 0.2506(16) 0.500000 1.002(4) 0.087(9) Uani 1 2 d S T P . .
H16A H 0.271532 0.515587 1.119280 0.130 Uiso 0.5 1 calc R U P B -1
H16B H 0.235287 0.458418 1.009083 0.130 Uiso 0.5 1 calc R U P B -1
H16C H 0.213555 0.525995 0.943008 0.130 Uiso 0.5 1 calc R U P B -1
C17 C 0.3610(18) 0.500000 0.976(6) 0.098(11) Uani 1 2 d S T P . .
H17 H 0.385711 0.500000 0.896388 0.117 Uiso 1 2 calc R U P . .
C18 C 0.5700(19) 0.500000 0.850(4) 0.092(10) Uani 1 2 d S T P . .
H18A H 0.612330 0.520466 0.877836 0.137 Uiso 0.5 1 calc R U P C -1
H18B H 0.576258 0.457991 0.892747 0.137 Uiso 0.5 1 calc R U P C -1
H18C H 0.541991 0.521543 0.906911 0.137 Uiso 0.5 1 calc R U P C -1
C19 C 0.5841(16) 0.500000 0.559(4) 0.074(8) Uani 1 2 d S T P . .
H19A H 0.597790 0.458238 0.545516 0.111 Uiso 0.5 1 calc R U P D -1
H19B H 0.622560 0.524859 0.614452 0.111 Uiso 0.5 1 calc R U P D -1
H19C H 0.561363 0.516903 0.444135 0.111 Uiso 0.5 1 calc R U P D -1
C20 C 0.4745(12) 0.500000 0.582(5) 0.076(8) Uani 1 2 d S T P . .
H20 H 0.459927 0.500000 0.458673 0.091 Uiso 1 2 calc R U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 -0.8970 1.1010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4740 1.8120 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 '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
I8 Ag1 I7 115.97(5) . .
I8 Ag1 I4 112.58(5) . .
I7 Ag1 I4 108.00(6) . .
I8 Ag1 I2 113.43(5) . .
I7 Ag1 I2 109.07(5) . .
I4 Ag1 I2 95.88(5) . .
I8 Ag1 Ag3 56.21(4) . .
I7 Ag1 Ag3 143.50(6) . .
I4 Ag1 Ag3 107.34(5) . .
I2 Ag1 Ag3 58.20(4) . .
I8 Ag1 Ag1 142.69(3) . 2_565
I7 Ag1 Ag1 53.95(3) . 2_565
I4 Ag1 Ag1 104.33(3) . 2_565
I2 Ag1 Ag1 55.66(3) . 2_565
Ag3 Ag1 Ag1 108.04(3) . 2_565
I5 Ag2 I4 116.91(5) . .
I5 Ag2 I8 109.72(5) . 1_554
I4 Ag2 I8 112.23(6) . 1_554
I5 Ag2 I1 110.88(5) . .
I4 Ag2 I1 110.04(5) . .
I8 Ag2 I1 94.91(4) 1_554 .
I5 Ag2 Ag4 55.37(4) . .
I4 Ag2 Ag4 142.43(6) . .
I8 Ag2 Ag4 104.15(5) 1_554 .
I1 Ag2 Ag4 56.27(4) . .
I5 Ag2 Ag6 143.44(6) . .
I4 Ag2 Ag6 55.00(4) . .
I8 Ag2 Ag6 105.56(5) 1_554 .
I1 Ag2 Ag6 55.93(4) . .
Ag4 Ag2 Ag6 106.86(5) . .
I8 Ag3 I6 114.72(5) . .
I8 Ag3 I5 111.49(5) . .
I6 Ag3 I5 110.92(5) . .
I8 Ag3 I2 111.17(5) . .
I6 Ag3 I2 110.75(5) . .
I5 Ag3 I2 96.34(4) . .
I8 Ag3 Ag1 55.34(4) . .
I6 Ag3 Ag1 142.04(6) . .
I5 Ag3 Ag1 106.27(5) . .
I2 Ag3 Ag1 56.77(4) . .
I8 Ag3 Ag5 140.31(6) . .
I6 Ag3 Ag5 55.02(4) . .
I5 Ag3 Ag5 107.49(5) . .
I2 Ag3 Ag5 56.32(5) . .
Ag1 Ag3 Ag5 106.59(5) . .
I5 Ag4 I3 113.32(5) . .
I5 Ag4 I6 110.98(5) . 1_554
I3 Ag4 I6 111.41(5) . 1_554
I5 Ag4 I1 113.01(5) . .
I3 Ag4 I1 110.04(5) . .
I6 Ag4 I1 96.99(5) 1_554 .
I5 Ag4 Ag2 55.53(4) . .
I3 Ag4 Ag2 140.27(6) . .
I6 Ag4 Ag2 107.83(5) 1_554 .
I1 Ag4 Ag2 58.26(4) . .
I5 Ag4 Ag4 143.26(3) . 2_565
I3 Ag4 Ag4 54.93(3) . 2_565
I6 Ag4 Ag4 105.41(3) 1_554 2_565
I1 Ag4 Ag4 56.31(3) . 2_565
Ag2 Ag4 Ag4 108.51(3) . 2_565
I6 Ag5 I6 116.29(7) . 2_565
I6 Ag5 I3 109.17(5) . .
I6 Ag5 I3 109.17(5) 2_565 .
I6 Ag5 I2 113.17(5) . .
I6 Ag5 I2 113.17(5) 2_565 .
I3 Ag5 I2 93.31(6) . .
I6 Ag5 Ag3 55.89(4) . .
I6 Ag5 Ag3 146.77(7) 2_565 .
I3 Ag5 Ag3 103.48(5) . .
I2 Ag5 Ag3 57.89(4) . .
I6 Ag5 Ag3 146.77(7) . 2_565
I6 Ag5 Ag3 55.89(4) 2_565 2_565
I3 Ag5 Ag3 103.48(5) . 2_565
I2 Ag5 Ag3 57.90(4) . 2_565
Ag3 Ag5 Ag3 110.66(7) . 2_565
I4 Ag6 I4 113.00(7) 2_565 .
I4 Ag6 I7 112.26(5) 2_565 1_554
I4 Ag6 I7 112.26(5) . 1_554
I4 Ag6 I1 111.90(5) 2_565 .
I4 Ag6 I1 111.90(5) . .
I7 Ag6 I1 94.15(6) 1_554 .
I4 Ag6 Ag2 141.84(7) 2_565 .
I4 Ag6 Ag2 55.03(3) . .
I7 Ag6 Ag2 105.35(5) 1_554 .
I1 Ag6 Ag2 57.79(4) . .
I4 Ag6 Ag2 55.03(3) 2_565 2_565
I4 Ag6 Ag2 141.84(7) . 2_565
I7 Ag6 Ag2 105.35(5) 1_554 2_565
I1 Ag6 Ag2 57.79(4) . 2_565
Ag2 Ag6 Ag2 109.20(7) . 2_565
Ag4 I1 Ag4 67.39(6) 2_565 .
Ag4 I1 Ag6 124.05(5) 2_565 .
Ag4 I1 Ag6 124.05(5) . .
Ag4 I1 Ag2 65.47(4) 2_565 2_565
Ag4 I1 Ag2 124.30(5) . 2_565
Ag6 I1 Ag2 66.29(3) . 2_565
Ag4 I1 Ag2 124.30(5) 2_565 .
Ag4 I1 Ag2 65.47(4) . .
Ag6 I1 Ag2 66.29(3) . .
Ag2 I1 Ag2 123.79(6) 2_565 .
Ag5 I2 Ag1 121.79(5) . 2_565
Ag5 I2 Ag1 121.79(5) . .
Ag1 I2 Ag1 68.68(6) 2_565 .
Ag5 I2 Ag3 65.79(3) . .
Ag1 I2 Ag3 125.23(5) 2_565 .
Ag1 I2 Ag3 65.02(4) . .
Ag5 I2 Ag3 65.79(3) . 2_565
Ag1 I2 Ag3 65.02(4) 2_565 2_565
Ag1 I2 Ag3 125.23(5) . 2_565
Ag3 I2 Ag3 124.63(6) . 2_565
Ag4 I3 Ag4 70.14(6) . 2_565
Ag4 I3 Ag5 100.91(5) . .
Ag4 I3 Ag5 100.90(5) 2_565 .
Ag6 I4 Ag2 69.96(5) . .
Ag6 I4 Ag1 99.73(5) . .
Ag2 I4 Ag1 96.82(5) . .
Ag4 I5 Ag2 69.11(4) . .
Ag4 I5 Ag3 98.14(5) . .
Ag2 I5 Ag3 97.37(5) . .
Ag5 I6 Ag3 69.09(5) . .
Ag5 I6 Ag4 96.10(5) . 1_556
Ag3 I6 Ag4 96.92(5) . 1_556
Ag1 I7 Ag1 72.09(6) 2_565 .
Ag1 I7 Ag6 98.70(6) 2_565 1_556
Ag1 I7 Ag6 98.70(6) . 1_556
Ag1 I8 Ag3 68.45(4) . .
Ag1 I8 Ag2 98.54(5) . 1_556
Ag3 I8 Ag2 99.80(5) . 1_556
C3 N1 C1 108.4(13) . .
C3 N1 H1 125.8 . .
C1 N1 H1 125.8 . .
C6 N2 C5 105.8(13) . .
C3 N3 C2 108.4(13) . .
C3 N3 C7 126.6(13) . .
C2 N3 C7 125.0(12) . .
C6 N4 C4 106.1(12) . .
C6 N4 C10 129.8(13) . .
C4 N4 C10 124.0(12) . .
C17 N5 C16 125(3) . .
C17 N5 C15 120(3) . .
C16 N5 C15 115(2) . .
C20 N6 C18 127(3) . .
C20 N6 C19 117(2) . .
C18 N6 C19 116(2) . .
C2 C1 N1 107.2(14) . .
C2 C1 H1A 126.4 . .
N1 C1 H1A 126.4 . .
C1 C2 N3 106.9(13) . .
C1 C2 H2 126.6 . .
N3 C2 H2 126.6 . .
N3 C3 N1 109.1(13) . .
N3 C3 C11 126.9(16) . .
N1 C3 C11 124.0(15) . .
C5 C4 N4 106.9(14) . .
C5 C4 H4 126.6 . .
N4 C4 H4 126.6 . .
C4 C5 N2 108.2(15) . .
C4 C5 H5 125.9 . .
N2 C5 H5 125.9 . .
N2 C6 N4 112.9(14) . .
N2 C6 C13 123.1(14) . .
N4 C6 C13 124.1(15) . .
N3 C7 C8 112.9(12) . .
N3 C7 H7A 109.0 . .
C8 C7 H7A 109.0 . .
N3 C7 H7B 109.0 . .
C8 C7 H7B 109.0 . .
H7A C7 H7B 107.8 . .
C7 C8 C9 115.1(12) . .
C7 C8 H8A 108.5 . .
C9 C8 H8A 108.5 . .
C7 C8 H8B 108.5 . .
C9 C8 H8B 108.5 . .
H8A C8 H8B 107.5 . .
C10 C9 C8 112.3(11) . .
C10 C9 H9A 109.1 . .
C8 C9 H9A 109.1 . .
C10 C9 H9B 109.1 . .
C8 C9 H9B 109.1 . .
H9A C9 H9B 107.9 . .
N4 C10 C9 115.6(12) . .
N4 C10 H10A 108.4 . .
C9 C10 H10A 108.4 . .
N4 C10 H10B 108.4 . .
C9 C10 H10B 108.4 . .
H10A C10 H10B 107.4 . .
C12 C11 C3 115.3(15) . .
C12 C11 H11A 108.5 . .
C3 C11 H11A 108.5 . .
C12 C11 H11B 108.5 . .
C3 C11 H11B 108.5 . .
H11A C11 H11B 107.5 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C6 C13 C14 113.7(16) . .
C6 C13 H13A 108.8 . .
C14 C13 H13A 108.8 . .
C6 C13 H13B 108.8 . .
C14 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N5 C15 H15A 109.4 . .
N5 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N5 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N5 C16 H16A 109.5 . .
N5 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
N5 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O1 C17 N5 128(5) . .
O1 C17 H17 115.9 . .
N5 C17 H17 115.9 . .
N6 C18 H18A 109.5 . .
N6 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N6 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N6 C19 H19A 109.5 . .
N6 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N6 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O2 C20 N6 121(3) . .
O2 C20 H20 119.5 . .
N6 C20 H20 119.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 I8 2.8151(16) .
Ag1 I7 2.8161(16) .
Ag1 I4 2.8544(17) .
Ag1 I2 2.9376(16) .
Ag1 Ag3 3.1832(19) .
Ag1 Ag1 3.314(3) 2_565
Ag2 I5 2.8357(18) .
Ag2 I4 2.8357(16) .
Ag2 I8 2.8593(16) 1_554
Ag2 I1 3.0042(15) .
Ag2 Ag4 3.214(2) .
Ag2 Ag6 3.2509(17) .
Ag3 I8 2.8443(16) .
Ag3 I6 2.8483(18) .
Ag3 I5 2.8519(16) .
Ag3 I2 2.9847(15) .
Ag3 Ag5 3.2135(18) .
Ag4 I5 2.8302(16) .
Ag4 I3 2.8360(18) .
Ag4 I6 2.8766(17) 1_554
Ag4 I1 2.9376(17) .
Ag4 Ag4 3.259(3) 2_565
Ag5 I6 2.8185(13) .
Ag5 I6 2.8185(13) 2_565
Ag5 I3 2.844(2) .
Ag5 I2 2.932(2) .
Ag6 I4 2.8346(13) 2_565
Ag6 I4 2.8346(13) .
Ag6 I7 2.859(2) 1_554
Ag6 I1 2.941(2) .
N1 C3 1.32(2) .
N1 C1 1.37(2) .
N1 H1 0.8600 .
N2 C6 1.28(2) .
N2 C5 1.40(2) .
N3 C3 1.315(19) .
N3 C2 1.38(2) .
N3 C7 1.498(18) .
N4 C6 1.330(18) .
N4 C4 1.375(19) .
N4 C10 1.453(18) .
N5 C17 1.30(4) .
N5 C16 1.40(3) .
N5 C15 1.49(3) .
N6 C20 1.34(3) .
N6 C18 1.39(3) .
N6 C19 1.44(3) .
O1 C17 1.11(5) .
O2 C20 1.16(4) .
C1 C2 1.35(2) .
C1 H1A 0.9300 .
C2 H2 0.9300 .
C3 C11 1.50(2) .
C4 C5 1.34(2) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C13 1.50(2) .
C7 C8 1.51(2) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.536(15) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.50(2) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.45(2) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.499(3) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9599 .
C15 H15B 0.9600 .
C15 H15C 0.9601 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17 0.9300 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20 0.9300 .
