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#$Date: 2024-02-04 14:18:02 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289573 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/06/1570616.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_1570616
loop_
_publ_author_name
'Ren, Zhen'
'Sun, Jun-Jun'
'Xu, Long'
'Luo, Peng'
'Ma, Zi-Wei'
'Li, Si'
'Si, Yu-Bing'
'Dong, Xi-Yan'
'Pan, Fangfang'
_publ_section_title
;
 X-ray-triggered through-space charge transfer and photochromism in silver
 nanoclusters.
;
_journal_issue                   5
_journal_name_full               Nanoscale
_journal_page_first              2662
_journal_page_last               2671
_journal_paper_doi               10.1039/d3nr05409h
_journal_volume                  16
_journal_year                    2024
_chemical_formula_moiety         'C72 H108 Ag14, F'
_chemical_formula_sum            'C72 H109 Ag14 F O'
_chemical_formula_weight         2519.77
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   mixed
_audit_block_doi                 10.5517/ccdc.csd.cc2hnp1x
_audit_creation_date             2023-12-12
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-12-12 deposited with the CCDC.	2023-12-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   21.8992(8)
_cell_length_b                   21.8992(8)
_cell_length_c                   15.4850(8)
_cell_measurement_reflns_used    8136
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      55.494
_cell_measurement_theta_min      4.758
_cell_volume                     6431.3(5)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_unetI/netI     0.0431
_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       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18282
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         55.495
_diffrn_reflns_theta_min         4.757
_diffrn_source_current           3.57
_diffrn_source_power             0.24972149999999999
_diffrn_source_voltage           69.95
_exptl_absorpt_coefficient_mu    16.949
_exptl_absorpt_correction_T_max  0.7509
_exptl_absorpt_correction_T_min  0.4365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1359 before and 0.0759 after correction.
The Ratio of minimum to maximum transmission is 0.5813.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.952
_exptl_crystal_description       block
_exptl_crystal_F_000             3648
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.579
_refine_diff_density_min         -1.385
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       0.000059(12)
_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   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     169
_refine_ls_number_reflns         2778
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0501
_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)+(0.0714P)²+70.3902P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1320
_refine_ls_wR_factor_ref         0.1446
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2079
_reflns_number_total             2778
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3nr05409h2.cif
_cod_data_source_block           fag14
_cod_depositor_comments
'Adding full bibliography for 1570610--1570618.cif.'
_cod_original_cell_volume        6431.3(6)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1570616
_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.
;
_shelx_estimated_absorpt_t_max   0.172
_shelx_estimated_absorpt_t_min   0.133
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C4-C009 \\sim C9-C009 \\sim C1-C009 \\sim C2-C009 \\sim C6-C009 \\sim C8-C009
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C4) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C2) \\sim
Ueq, Uanis(C6) \\sim Ueq, Uanis(C8) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(C4) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C2) \\sim
Ueq, Uanis(C6) \\sim Ueq, Uanis(C00D) \\sim Ueq: with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(Ag6) = Uanis(Ag00)
4. Others
 Sof(Ag6)=0.33333*(1-FVAR(2))
 Sof(Ag00)=0.33333*FVAR(2)
 Fixed Sof: C1(0.5) H1A(0.5) H1B(0.5) H1C(0.5) C9(0.5) H9A(0.5) H9B(0.5)
 H9C(0.5) C4(0.5) H4A(0.5) H4B(0.5) H4C(0.5) C6(0.5) H6A(0.5) H6B(0.5) H6C(0.5)
 C8(0.5) H8A(0.5) H8B(0.5) H8C(0.5) C2(0.5) H2A(0.5) H2B(0.5) H2C(0.5)
5.a Riding coordinates:
 C6(H6A,H6B,H6C), C8(H8A,H8B,H8C)
5.b Idealised Me refined as rotating group:
 C00B(H00A,H00B,H00C), C00C(H00D,H00E,H00F), C00D(H00G,H00H,H00I), C1(H1A,H1B,
 H1C), C9(H9A,H9B,H9C), C4(H4A,H4B,H4C), C2(H2A,H2B,H2C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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'
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 0.29989(3) 0.53073(3) 0.28763(4) 0.0459(2) Uani 1 1 d . . . . .
Ag00 Ag 0.333333 0.666667 0.3560(8) 0.0465(11) Uani 0.88(4) 3 d S T P . .
Ag2 Ag 0.29922(3) 0.52351(3) 0.10201(4) 0.0550(3) Uani 1 1 d . . . . .
C005 C 0.3662(4) 0.5109(4) 0.2127(5) 0.0459(17) Uani 1 1 d . . . . .
C006 C 0.2351(4) 0.5506(4) 0.3670(5) 0.0453(17) Uani 1 1 d . . . . .
C007 C 0.1979(4) 0.5492(4) 0.4231(6) 0.054(2) Uani 1 1 d . . . . .
C008 C 0.4020(5) 0.4867(5) 0.1889(6) 0.059(2) Uani 1 1 d . . . . .
C009 C 0.1496(6) 0.5442(5) 0.4919(7) 0.092(4) Uani 1 1 d D . . . .
C00A C 0.4438(8) 0.4548(7) 0.1599(8) 0.101(4) Uani 1 1 d . . . . .
C00B C 0.4020(8) 0.4006(8) 0.0887(10) 0.131(5) Uani 1 1 d . . . . .
H00A H 0.355809 0.365262 0.111215 0.197 Uiso 1 1 calc R U . . .
H00B H 0.428085 0.377266 0.070225 0.197 Uiso 1 1 calc R U . . .
H00C H 0.395512 0.424743 0.039277 0.197 Uiso 1 1 calc R U . . .
C00C C 0.5100(7) 0.5096(9) 0.1180(10) 0.130(5) Uani 1 1 d . . . . .
H00D H 0.498209 0.529099 0.067945 0.195 Uiso 1 1 calc R U . . .
H00E H 0.537820 0.488236 0.099018 0.195 Uiso 1 1 calc R U . . .
H00F H 0.537442 0.547341 0.159422 0.195 Uiso 1 1 calc R U . . .
C00D C 0.4567(10) 0.4212(9) 0.2373(10) 0.150(6) Uani 1 1 d . U . . .
H00G H 0.475990 0.455580 0.284482 0.225 Uiso 1 1 calc R U . . .
H00H H 0.490287 0.405811 0.222075 0.225 Uiso 1 1 calc R U . . .
H00I H 0.412106 0.380420 0.255791 0.225 Uiso 1 1 calc R U . . .
Ag6 Ag 0.333333 0.666667 0.383(3) 0.0465(11) Uani 0.12(4) 3 d S T P . .
C1 C 0.1045(13) 0.5725(16) 0.4566(15) 0.100(8) Uani 0.5 1 d D U P A 2
H1A H 0.134035 0.615827 0.423982 0.150 Uiso 0.5 1 calc R U P A 2
H1B H 0.081773 0.582812 0.504535 0.150 Uiso 0.5 1 calc R U P A 2
H1C H 0.068311 0.537297 0.418509 0.150 Uiso 0.5 1 calc R U P A 2
C9 C 0.0853(9) 0.4718(8) 0.4896(18) 0.089(6) Uani 0.5 1 d D U P A 1
H9A H 0.056167 0.468043 0.439634 0.133 Uiso 0.5 1 calc R U P A 1
H9B H 0.057995 0.463822 0.542701 0.133 Uiso 0.5 1 calc R U P A 1
H9C H 0.099917 0.436267 0.484938 0.133 Uiso 0.5 1 calc R U P A 1
C4 C 0.130(2) 0.4901(16) 0.5614(18) 0.132(11) Uani 0.5 1 d D U P A 2
H4A H 0.091828 0.444646 0.541019 0.198 Uiso 0.5 1 calc R U P A 2
H4B H 0.114767 0.504767 0.612835 0.198 Uiso 0.5 1 calc R U P A 2
H4C H 0.171279 0.485493 0.575795 0.198 Uiso 0.5 1 calc R U P A 2
C6 C 0.1892(19) 0.6036(18) 0.555(2) 0.165(14) Uani 0.5 1 d D U P A 2
H6A H 0.217156 0.586148 0.584642 0.248 Uiso 0.5 1 d R U P A 2
H6B H 0.159116 0.609358 0.597582 0.248 Uiso 0.5 1 d R U P A 2
H6C H 0.220786 0.649088 0.528182 0.248 Uiso 0.5 1 d R U P A 2
C8 C 0.1790(15) 0.535(2) 0.5755(11) 0.117(10) Uani 0.5 1 d D U P A 1
H8A H 0.174966 0.488272 0.574227 0.176 Uiso 0.5 1 d R U P A 1
H8B H 0.151266 0.537162 0.623777 0.176 Uiso 0.5 1 d R U P A 1
H8C H 0.228616 0.571162 0.583057 0.176 Uiso 0.5 1 d R U P A 1
C2 C 0.1419(19) 0.6083(12) 0.498(2) 0.116(10) Uani 0.5 1 d D U P A 1
H2A H 0.188562 0.650306 0.504476 0.174 Uiso 0.5 1 calc R U P A 1
H2B H 0.112723 0.603942 0.548187 0.174 Uiso 0.5 1 calc R U P A 1
H2C H 0.119410 0.612494 0.445429 0.174 Uiso 0.5 1 calc R U P A 1
F1 F 0.333333 0.666667 0.166667 0.042(2) Uani 1 6 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0963 3.3588 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 '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
_geom_angle_publ_flag
Ag00 Ag1 Ag2 72.46(11) . 15 ?
Ag00 Ag1 Ag6 7.4(6) . . ?
Ag2 Ag1 Ag00 114.5(2) . . ?
Ag2 Ag1 Ag00 73.00(10) 14_455 . ?
Ag2 Ag1 Ag2 74.16(2) . 14_455 ?
Ag2 Ag1 Ag2 73.60(2) . 15 ?
Ag2 Ag1 Ag2 115.85(3) 14_455 15 ?
Ag2 Ag1 Ag6 76.0(4) 15 . ?
Ag2 Ag1 Ag6 76.5(4) 14_455 . ?
Ag2 Ag1 Ag6 121.9(8) . . ?
C005 Ag1 Ag00 125.4(2) . . ?
C005 Ag1 Ag2 53.0(2) . 15 ?
C005 Ag1 Ag2 54.1(2) . . ?
C005 Ag1 Ag2 128.2(2) . 14_455 ?
C005 Ag1 C006 177.9(3) . . ?
C005 Ag1 Ag6 128.6(4) . . ?
C006 Ag1 Ag00 54.3(2) . . ?
C006 Ag1 Ag2 128.0(2) . . ?
C006 Ag1 Ag2 126.7(2) . 15 ?
C006 Ag1 Ag2 53.9(2) . 14_455 ?
C006 Ag1 Ag6 50.9(4) . . ?
Ag1 Ag00 Ag1 107.4(2) 2_665 . ?
Ag1 Ag00 Ag1 107.4(2) 3_565 2_665 ?
Ag1 Ag00 Ag1 107.4(2) 3_565 . ?
C006 Ag00 Ag1 152.6(4) 2_665 3_565 ?
C006 Ag00 Ag1 45.3(2) 3_565 3_565 ?
C006 Ag00 Ag1 45.29(19) . . ?
C006 Ag00 Ag1 84.0(2) 3_565 2_665 ?
C006 Ag00 Ag1 152.6(4) 3_565 . ?
C006 Ag00 Ag1 84.0(2) 2_665 . ?
C006 Ag00 Ag1 84.0(2) . 3_565 ?
C006 Ag00 Ag1 45.29(19) 2_665 2_665 ?
C006 Ag00 Ag1 152.6(4) . 2_665 ?
C006 Ag00 C006 119.49(9) 3_565 . ?
C006 Ag00 C006 119.49(9) . 2_665 ?
C006 Ag00 C006 119.49(9) 3_565 2_665 ?
Ag1 Ag2 Ag1 106.77(3) 15 14_455 ?
Ag1 Ag2 Ag1 105.39(3) . 14_455 ?
Ag1 Ag2 Ag1 106.37(2) . 15 ?
C005 Ag2 Ag1 82.55(18) . 15 ?
C005 Ag2 Ag1 45.18(18) . . ?
C005 Ag2 Ag1 150.17(18) . 14_455 ?
C005 Ag2 Ag1 82.77(19) 14_455 . ?
C005 Ag2 Ag1 151.13(18) 14_455 15 ?
C005 Ag2 Ag1 44.65(18) 14_455 14_455 ?
C005 Ag2 C005 120.03(11) 14_455 . ?
C005 Ag2 C006 119.7(3) 14_455 15 ?
C006 Ag2 Ag1 83.65(18) 15 14_455 ?
C006 Ag2 Ag1 151.53(19) 15 . ?
C006 Ag2 Ag1 45.49(19) 15 15 ?
C006 Ag2 C005 119.8(3) 15 . ?
Ag1 C005 Ag2 82.4(2) . 15 ?
Ag1 C005 Ag2 80.8(2) . . ?
Ag2 C005 Ag2 95.0(3) 15 . ?
C008 C005 Ag1 161.0(7) . . ?
C008 C005 Ag2 114.2(7) . . ?
C008 C005 Ag2 106.7(6) . 15 ?
Ag1 C006 Ag00 80.4(3) . . ?
Ag1 C006 Ag2 80.7(3) . 14_455 ?
Ag1 C006 Ag6 86.5(8) . . ?
Ag00 C006 Ag6 10.3(9) . . ?
Ag2 C006 Ag00 92.9(4) 14_455 . ?
Ag2 C006 Ag6 102.1(11) 14_455 . ?
C007 C006 Ag1 164.3(7) . . ?
C007 C006 Ag00 108.9(6) . . ?
C007 C006 Ag2 110.7(6) . 14_455 ?
C007 C006 Ag6 101.0(11) . . ?
C006 C007 C009 177.5(10) . . ?
C005 C008 C00A 178.1(11) . . ?
C007 C009 C1 107.7(11) . . ?
C007 C009 C9 108.7(10) . . ?
C007 C009 C4 119.3(15) . . ?
C007 C009 C6 109.1(17) . . ?
C007 C009 C8 107.1(12) . . ?
C007 C009 C2 113.1(12) . . ?
C1 C009 C6 95(2) . . ?
C4 C009 C1 126.9(19) . . ?
C4 C009 C6 92(2) . . ?
C8 C009 C9 96.6(17) . . ?
C2 C009 C9 120.3(18) . . ?
C2 C009 C8 109(2) . . ?
C008 C00A C00B 108.3(10) . . ?
C008 C00A C00C 109.6(10) . . ?
C008 C00A C00D 107.6(10) . . ?
C00C C00A C00B 105.8(11) . . ?
C00C C00A C00D 113.3(13) . . ?
C00D C00A C00B 112.2(12) . . ?
C00A C00B H00A 109.5 . . ?
C00A C00B H00B 109.5 . . ?
C00A C00B H00C 109.5 . . ?
H00A C00B H00B 109.5 . . ?
H00A C00B H00C 109.5 . . ?
H00B C00B H00C 109.5 . . ?
C00A C00C H00D 109.5 . . ?
C00A C00C H00E 109.5 . . ?
C00A C00C H00F 109.5 . . ?
H00D C00C H00E 109.5 . . ?
H00D C00C H00F 109.5 . . ?
H00E C00C H00F 109.5 . . ?
C00A C00D H00G 109.5 . . ?
C00A C00D H00H 109.5 . . ?
C00A C00D H00I 109.5 . . ?
H00G C00D H00H 109.5 . . ?
H00G C00D H00I 109.5 . . ?
H00H C00D H00I 109.5 . . ?
Ag1 Ag6 Ag1 98.6(11) 2_665 . ?
Ag1 Ag6 Ag1 98.6(11) 3_565 . ?
Ag1 Ag6 Ag1 98.6(11) 3_565 2_665 ?
C006 Ag6 Ag1 139.1(17) . 2_665 ?
C006 Ag6 Ag1 42.6(4) 3_565 3_565 ?
C006 Ag6 Ag1 79.9(6) 3_565 2_665 ?
C006 Ag6 Ag1 42.6(4) 2_665 2_665 ?
C006 Ag6 Ag1 79.9(6) 2_665 . ?
C006 Ag6 Ag1 79.9(6) . 3_565 ?
C006 Ag6 Ag1 139.1(17) 3_565 . ?
C006 Ag6 Ag1 139.1(17) 2_665 3_565 ?
C006 Ag6 Ag1 42.6(4) . . ?
C006 Ag6 C006 118.9(4) 3_565 . ?
C006 Ag6 C006 118.9(4) . 2_665 ?
C006 Ag6 C006 118.9(4) 3_565 2_665 ?
C009 C1 H1A 109.5 . . ?
C009 C1 H1B 109.5 . . ?
C009 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C009 C9 H9A 109.5 . . ?
C009 C9 H9B 109.5 . . ?
C009 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C009 C4 H4A 109.5 . . ?
C009 C4 H4B 109.5 . . ?
C009 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C009 C6 H6A 99.6 . . ?
C009 C6 H6B 114.4 . . ?
C009 C6 H6C 113.9 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C009 C8 H8A 107.5 . . ?
C009 C8 H8B 109.3 . . ?
C009 C8 H8C 111.6 . . ?
H8A C8 H8B 109.4 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.4 . . ?
C009 C2 H2A 109.5 . . ?
C009 C2 H2B 109.5 . . ?
C009 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
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
Ag1 Ag00 2.888(5) . ?
Ag1 Ag2 2.8784(9) . ?
Ag1 Ag2 2.8802(8) 14_455 ?
Ag1 Ag2 2.9173(8) 15 ?
Ag1 C005 2.068(7) . ?
Ag1 C006 2.081(8) . ?
Ag1 Ag6 3.07(2) . ?
Ag00 C006 2.378(7) 2_665 ?
Ag00 C006 2.378(7) . ?
Ag00 C006 2.378(7) 3_565 ?
Ag2 C005 2.350(7) 14_455 ?
Ag2 C005 2.361(8) . ?
Ag2 C006 2.357(7) 15 ?
C005 C008 1.203(10) . ?
C006 C007 1.180(10) . ?
C006 Ag6 2.385(9) . ?
C007 C009 1.466(12) . ?
C008 C00A 1.471(12) . ?
C009 C1 1.507(11) . ?
C009 C9 1.506(11) . ?
C009 C4 1.496(11) . ?
C009 C6 1.509(12) . ?
C009 C8 1.505(11) . ?
C009 C2 1.497(11) . ?
C00A C00B 1.542(18) . ?
C00A C00C 1.492(19) . ?
C00A C00D 1.504(17) . ?
C00B H00A 0.9800 . ?
C00B H00B 0.9800 . ?
C00B H00C 0.9800 . ?
C00C H00D 0.9800 . ?
C00C H00E 0.9800 . ?
C00C H00F 0.9800 . ?
C00D H00G 0.9800 . ?
C00D H00H 0.9800 . ?
C00D H00I 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C6 H6A 0.9799 . ?
C6 H6B 0.9799 . ?
C6 H6C 0.9799 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9799 . ?
C8 H8C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
