#------------------------------------------------------------------------------
#$Date: 2024-02-04 14:18:02 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289573 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/06/1570615.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_1570615
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, Cl, 0.167(H6 O6)'
_chemical_formula_sum            'C72 H109 Ag14 Cl O'
_chemical_formula_weight         2536.22
_chemical_name_systematic        'AG14 II Ga 300K'
_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.cc2h9rzk
_audit_creation_date             2023-10-24
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-10-24 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                   16.438(3)
_cell_length_b                   16.438(3)
_cell_length_c                   29.900(7)
_cell_measurement_reflns_used    4416
_cell_measurement_temperature    302.00
_cell_measurement_theta_max      47.26
_cell_measurement_theta_min      4.68
_cell_volume                     6997(2)
_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      302.00
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0660
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            7045
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        42.493
_diffrn_reflns_theta_max         42.493
_diffrn_reflns_theta_min         4.681
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    16.028
_exptl_absorpt_correction_T_max  0.7504
_exptl_absorpt_correction_T_min  0.4129
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1430 before and 0.1026 after correction.
The Ratio of minimum to maximum transmission is 0.5502.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_description       block
_exptl_crystal_F_000             3672
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.044
_refine_diff_density_min         -1.017
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       0.00011(2)
_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   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     168
_refine_ls_number_reflns         1645
_refine_ls_number_restraints     308
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0671
_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)+(0.1114P)²+150.7764P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1921
_refine_ls_wR_factor_ref         0.2031
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1342
_reflns_number_total             1645
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3nr05409h2.cif
_cod_data_source_block           ag14-ii-xga_300k
_cod_depositor_comments
'Adding full bibliography for 1570610--1570618.cif.'
_cod_original_cell_volume        6996(3)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1570615
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C5-C009 = C3-C009 = C009-C008 = C4-C00A = C1-C00A = C6-C00A
 1.54 with sigma of 0.02
 C2-C009 = C7-C009 = C10-C009
 1.54 with sigma of 0.02
 C6-C00A
 1.5 with sigma of 0.02
 C009-C007
 1.54 with sigma of 0.01
 C00B-C00A
 1.54 with sigma of 0.01
 C00A-C6
 1.54 with sigma of 0.01
 C007-C005
 1.2 with sigma of 0.02
 C00B-C006
 1.2 with sigma of 0.02
 C1-C4 \\sim C4-C6 \\sim C6-C1 \\sim C3-C5 \\sim C5-C008 \\sim C008-C3
 with sigma of 0.02
 C2-C7 \\sim C7-C10 \\sim C10-C2
 with sigma of 0.02
 C5-C007 \\sim C007-C3
 with sigma of 0.02
 C5-C009 \\sim C10-C009 \\sim C7-C009 \\sim C009-C008 \\sim C2-C009 \\sim
C3-C009
 with sigma of 0.02
 C4-C00A \\sim C1-C00A \\sim C6-C00A
 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C6 \\sim C00A \\sim C1 \\sim C4: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
Uanis(C009) \\sim Ueq, Uanis(C008) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(C10) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C2) \\sim Ueq: with sigma of
0.02 and sigma for terminal atoms of 0.04
Uanis(C4) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C5) \\sim
Ueq, Uanis(C3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of
0.02
5. Rigid body (RIGU) restrains
 C009, C3
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
 C006, C00B, C00A
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: C008(0.5) H00A(0.5) H00B(0.5) H00C(0.5) C5(0.5) H5A(0.5) H5B(0.5)
 H5C(0.5) C3(0.5) H3A(0.5) H3B(0.5) H3C(0.5) C2(0.5) H2A(0.5) H2B(0.5) H2C(0.5)
 C10(0.5) H10A(0.5) H10B(0.5) H10C(0.5) C7(0.5) H7A(0.5) H7B(0.5) H7C(0.5)
 H1(0.166667)
7.a Riding coordinates:
 C008(H00A,H00B,H00C), C10(H10A,H10B,H10C), O1(H1)
7.b Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C4(H4A,H4B,H4C), C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C3(H3A,
 H3B,H3C), C2(H2A,H2B,H2C), C7(H7A,H7B,H7C)
;
_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
Ag01 Ag 0.52209(8) 0.36591(8) 0.39667(4) 0.0787(6) Uani 1 1 d . U . . .
Ag02 Ag 0.666667 0.333333 0.43763(7) 0.0795(8) Uani 1 3 d S TU P . .
Ag03 Ag 0.70005(8) 0.52668(9) 0.36940(4) 0.0871(7) Uani 1 1 d . U . . .
Cl04 Cl 0.666667 0.333333 0.333333 0.0556(18) Uani 1 6 d S T P . .
C005 C 0.5395(10) 0.4761(9) 0.3575(5) 0.077(4) Uani 1 1 d D U . . .
C006 C 0.5017(11) 0.2573(11) 0.4385(5) 0.081(4) Uani 1 1 d D U . . .
C007 C 0.5300(12) 0.5328(11) 0.3390(6) 0.099(5) Uani 1 1 d D U . . .
C008 C 0.594(2) 0.702(2) 0.3416(15) 0.162(12) Uani 0.5 1 d D U P A 1
H00A H 0.596029 0.695597 0.373428 0.243 Uiso 0.5 1 d R U P A 1
H00B H 0.581139 0.751897 0.335068 0.243 Uiso 0.5 1 d R U P A 1
H00C H 0.653109 0.716587 0.328788 0.243 Uiso 0.5 1 d R U P A 1
C009 C 0.5164(12) 0.6116(11) 0.3204(6) 0.123(5) Uani 1 1 d D U . . .
C00A C 0.4444(13) 0.1355(12) 0.5068(5) 0.151(6) Uani 1 1 d D U . . .
C00B C 0.4729(13) 0.2018(12) 0.4668(5) 0.103(5) Uani 1 1 d D U . . .
C6 C 0.3852(19) 0.1602(19) 0.5369(9) 0.229(11) Uani 1 1 d D U . . .
H6A H 0.421695 0.224631 0.546168 0.343 Uiso 1 1 calc R U . . .
H6B H 0.365706 0.120302 0.562822 0.343 Uiso 1 1 calc R U . . .
H6C H 0.330755 0.151339 0.520861 0.343 Uiso 1 1 calc R U . . .
C4 C 0.3873(18) 0.0375(14) 0.4876(8) 0.204(9) Uani 1 1 d D U . . .
H4A H 0.351962 0.038854 0.462361 0.306 Uiso 1 1 calc R U . . .
H4B H 0.344954 -0.003826 0.510047 0.306 Uiso 1 1 calc R U . . .
H4C H 0.428691 0.015314 0.478371 0.306 Uiso 1 1 calc R U . . .
C1 C 0.5308(16) 0.1478(19) 0.5312(10) 0.232(11) Uani 1 1 d D U . . .
H1A H 0.559031 0.118725 0.514227 0.348 Uiso 1 1 calc R U . . .
H1B H 0.513057 0.119006 0.560120 0.348 Uiso 1 1 calc R U . . .
H1C H 0.575135 0.213595 0.534530 0.348 Uiso 1 1 calc R U . . .
C5 C 0.527(3) 0.616(3) 0.2697(7) 0.142(10) Uani 0.5 1 d D U P A 1
H5A H 0.589730 0.630519 0.262001 0.213 Uiso 0.5 1 calc R U P A 1
H5B H 0.516233 0.664447 0.258143 0.213 Uiso 0.5 1 calc R U P A 1
H5C H 0.482616 0.556847 0.256901 0.213 Uiso 0.5 1 calc R U P A 1
C3 C 0.4204(18) 0.596(3) 0.3341(13) 0.131(10) Uani 0.5 1 d D U P A 1
H3A H 0.372585 0.545663 0.316718 0.196 Uiso 0.5 1 calc R U P A 1
H3B H 0.418054 0.652386 0.328901 0.196 Uiso 0.5 1 calc R U P A 1
H3C H 0.410194 0.580054 0.365245 0.196 Uiso 0.5 1 calc R U P A 1
C2 C 0.483(3) 0.651(3) 0.3577(12) 0.158(14) Uani 0.5 1 d D U P A 2
H2A H 0.432522 0.599702 0.373610 0.237 Uiso 0.5 1 calc R U P A 2
H2B H 0.461544 0.690302 0.345179 0.237 Uiso 0.5 1 calc R U P A 2
H2C H 0.534078 0.686524 0.377916 0.237 Uiso 0.5 1 calc R U P A 2
C10 C 0.436(3) 0.545(3) 0.2893(14) 0.179(15) Uani 0.5 1 d D U P A 2
H10A H 0.427627 0.579262 0.265535 0.268 Uiso 0.5 1 d R U P A 2
H10B H 0.379967 0.514422 0.307095 0.268 Uiso 0.5 1 d R U P A 2
H10C H 0.448837 0.498592 0.276895 0.268 Uiso 0.5 1 d R U P A 2
C7 C 0.601(2) 0.686(3) 0.2950(14) 0.157(13) Uani 0.5 1 d D U P A 2
H7A H 0.656132 0.683030 0.303817 0.235 Uiso 0.5 1 calc R U P A 2
H7B H 0.610357 0.746807 0.301801 0.235 Uiso 0.5 1 calc R U P A 2
H7C H 0.591303 0.674305 0.263485 0.235 Uiso 0.5 1 calc R U P A 2
O1 O 0.333333 0.666667 0.166667 0.42(6) Uiso 1 6 d S . P . .
H1 H 0.372440 0.722970 0.173970 0.625 Uiso 0.1667 1 d 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 0.0137 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 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 '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
Ag02 Ag01 Ag03 119.47(6) . 18_545 ?
Ag02 Ag01 Ag03 74.51(4) . 2_655 ?
Ag03 Ag01 Ag02 75.29(4) . . ?
Ag03 Ag01 Ag03 120.31(6) . 2_655 ?
Ag03 Ag01 Ag03 75.67(4) 2_655 18_545 ?
Ag03 Ag01 Ag03 76.46(4) . 18_545 ?
C005 Ag01 Ag02 128.9(4) . . ?
C005 Ag01 Ag03 128.9(4) . 2_655 ?
C005 Ag01 Ag03 53.6(4) . . ?
C005 Ag01 Ag03 53.3(4) . 18_545 ?
C005 Ag01 C006 177.1(6) . . ?
C006 Ag01 Ag02 52.4(4) . . ?
C006 Ag01 Ag03 127.5(4) . . ?
C006 Ag01 Ag03 53.4(5) . 2_655 ?
C006 Ag01 Ag03 129.1(5) . 18_545 ?
Ag01 Ag02 Ag01 103.98(5) 3_665 . ?
Ag01 Ag02 Ag01 103.98(5) 2_655 3_665 ?
Ag01 Ag02 Ag01 103.98(5) 2_655 . ?
C006 Ag02 Ag01 147.6(3) 2_655 . ?
C006 Ag02 Ag01 83.6(4) . 2_655 ?
C006 Ag02 Ag01 83.6(4) 3_665 . ?
C006 Ag02 Ag01 44.1(3) . . ?
C006 Ag02 Ag01 44.1(3) 3_665 3_665 ?
C006 Ag02 Ag01 83.6(4) 2_655 3_665 ?
C006 Ag02 Ag01 147.6(3) . 3_665 ?
C006 Ag02 Ag01 44.1(3) 2_655 2_655 ?
C006 Ag02 Ag01 147.6(3) 3_665 2_655 ?
C006 Ag02 C006 119.986(18) 2_655 . ?
C006 Ag02 C006 119.987(19) 2_655 3_665 ?
C006 Ag02 C006 119.987(15) 3_665 . ?
Ag01 Ag03 Ag01 104.63(6) . 3_665 ?
Ag01 Ag03 Ag01 102.62(5) 3_665 17 ?
Ag01 Ag03 Ag01 103.91(5) . 17 ?
C005 Ag03 Ag01 81.9(3) 17 3_665 ?
C005 Ag03 Ag01 82.2(4) . 17 ?
C005 Ag03 Ag01 43.2(3) 17 17 ?
C005 Ag03 Ag01 146.4(3) 17 . ?
C005 Ag03 Ag01 44.3(3) . . ?
C005 Ag03 Ag01 147.9(3) . 3_665 ?
C005 Ag03 C005 118.8(2) . 17 ?
C005 Ag03 C006 121.9(5) . 3_665 ?
C006 Ag03 Ag01 145.7(3) 3_665 17 ?
C006 Ag03 Ag01 83.7(4) 3_665 . ?
C006 Ag03 Ag01 43.7(3) 3_665 3_665 ?
C006 Ag03 C005 119.3(5) 3_665 17 ?
Ag01 C005 Ag03 83.6(5) . 18_545 ?
Ag01 C005 Ag03 82.1(5) . . ?
Ag03 C005 Ag03 99.7(5) . 18_545 ?
C007 C005 Ag01 164.9(13) . . ?
C007 C005 Ag03 100.1(14) . 18_545 ?
C007 C005 Ag03 111.4(13) . . ?
Ag01 C006 Ag02 83.6(5) . . ?
Ag01 C006 Ag03 82.8(5) . 2_655 ?
Ag02 C006 Ag03 97.8(5) . 2_655 ?
C00B C006 Ag01 161.8(15) . . ?
C00B C006 Ag02 109.6(14) . . ?
C00B C006 Ag03 106.9(15) . 2_655 ?
C005 C007 C009 173.1(18) . . ?
H00A C008 H00B 109.5 . . ?
H00A C008 H00C 109.5 . . ?
H00B C008 H00C 109.5 . . ?
C009 C008 H00A 111.2 . . ?
C009 C008 H00B 108.3 . . ?
C009 C008 H00C 108.8 . . ?
C007 C009 C008 106(2) . . ?
C007 C009 C10 93(2) . . ?
C5 C009 C007 110.1(14) . . ?
C5 C009 C008 110.1(13) . . ?
C3 C009 C007 109.7(14) . . ?
C3 C009 C008 109.8(12) . . ?
C3 C009 C5 111.2(13) . . ?
C2 C009 C007 109(2) . . ?
C2 C009 C10 112.5(14) . . ?
C7 C009 C007 113(2) . . ?
C7 C009 C2 114.1(14) . . ?
C7 C009 C10 112.9(14) . . ?
C6 C00A C00B 106.4(16) . . ?
C4 C00A C00B 105.6(16) . . ?
C4 C00A C6 111.7(11) . . ?
C4 C00A C1 111.4(11) . . ?
C1 C00A C00B 110.3(17) . . ?
C1 C00A C6 111.1(11) . . ?
C006 C00B C00A 174(2) . . ?
C00A C6 H6A 109.5 . . ?
C00A C6 H6B 109.5 . . ?
C00A C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C00A C4 H4A 109.5 . . ?
C00A C4 H4B 109.5 . . ?
C00A C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C00A C1 H1A 109.5 . . ?
C00A C1 H1B 109.5 . . ?
C00A C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C009 C5 H5A 109.5 . . ?
C009 C5 H5B 109.5 . . ?
C009 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C009 C3 H3A 109.5 . . ?
C009 C3 H3B 109.5 . . ?
C009 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
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 . . ?
C009 C10 H10A 110.7 . . ?
C009 C10 H10B 107.3 . . ?
C009 C10 H10C 110.4 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C009 C7 H7A 109.5 . . ?
C009 C7 H7B 109.5 . . ?
C009 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
H1 O1 H1 180.0 2_665 14_455 ?
H1 O1 H1 113.6 14_455 15 ?
H1 O1 H1 113.6 13_565 15 ?
H1 O1 H1 66.4 13_565 3_565 ?
H1 O1 H1 66.4 14_455 3_565 ?
H1 O1 H1 113.6 . 3_565 ?
H1 O1 H1 180.0 . 13_565 ?
H1 O1 H1 113.6 2_665 3_565 ?
H1 O1 H1 113.6 . 2_665 ?
H1 O1 H1 66.4 . 15 ?
H1 O1 H1 66.4 13_565 2_665 ?
H1 O1 H1 66.4 2_665 15 ?
H1 O1 H1 66.4 . 14_455 ?
H1 O1 H1 180.0 3_565 15 ?
H1 O1 H1 113.6 13_565 14_455 ?
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
Ag01 Ag02 2.9506(14) . ?
Ag01 Ag03 2.9112(16) . ?
Ag01 Ag03 2.9836(19) 18_545 ?
Ag01 Ag03 2.9642(16) 2_655 ?
Ag01 C005 2.054(13) . ?
Ag01 C006 2.066(14) . ?
Ag02 C006 2.351(15) 3_665 ?
Ag02 C006 2.351(15) . ?
Ag02 C006 2.351(15) 2_655 ?
Ag03 C005 2.365(14) . ?
Ag03 C005 2.407(16) 17 ?
Ag03 C006 2.398(16) 3_665 ?
C005 C007 1.160(14) . ?
C006 C00B 1.156(14) . ?
C007 C009 1.525(10) . ?
C008 H00A 0.9602 . ?
C008 H00B 0.9602 . ?
C008 H00C 0.9598 . ?
C008 C009 1.531(12) . ?
C009 C5 1.524(12) . ?
C009 C3 1.523(12) . ?
C009 C2 1.520(13) . ?
C009 C10 1.536(13) . ?
C009 C7 1.519(13) . ?
C00A C00B 1.526(10) . ?
C00A C6 1.524(8) . ?
C00A C4 1.514(12) . ?
C00A C1 1.518(13) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9602 . ?
C10 H10C 0.9602 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
O1 H1 0.8499 14_455 ?
O1 H1 0.8501 15 ?
O1 H1 0.8500 . ?
O1 H1 0.8500 3_565 ?
O1 H1 0.8500 13_565 ?
O1 H1 0.8500 2_665 ?
