#------------------------------------------------------------------------------
#$Date: 2022-08-06 14:41:39 +0300 (Sat, 06 Aug 2022) $
#$Revision: 277099 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/71/1567108.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_1567108
loop_
_publ_author_name
'Li, Cui-Cui'
'Zhang, Siqi'
'Tang, Jian'
'Jian, Ruijun'
'Xia, Yu'
'Zhao, Liang'
_publ_section_title
;
 Pyridine dicarbanion-bonded Ag₁₃ organometallic nanoclusters:
 synthesis and on-surface oxidative coupling reaction.
;
_journal_issue                   27
_journal_name_full               'Chemical science'
_journal_page_first              8095
_journal_page_last               8103
_journal_paper_doi               10.1039/d2sc00989g
_journal_volume                  13
_journal_year                    2022
_chemical_formula_moiety         'C41 H36 Ag13 F15 N6 O15 S5, C F3 O3 S'
_chemical_formula_sum            'C42 H36 Ag13 F18 N6 O18 S6'
_chemical_formula_weight         2849.44
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2020-03-17
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-04-11 deposited with the CCDC.	2022-06-13 downloaded from the CCDC.
;
_cell_angle_alpha                82.805(4)
_cell_angle_beta                 84.350(3)
_cell_angle_gamma                88.156(4)
_cell_formula_units_Z            2
_cell_length_a                   14.0332(6)
_cell_length_b                   15.3545(7)
_cell_length_c                   22.4180(9)
_cell_measurement_reflns_used    10234
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.5520
_cell_measurement_theta_min      4.3770
_cell_volume                     4768.2(4)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2137
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -113.00 -16.00   1.00    1.77    --  -40.56 -57.00 -90.00   97
  2  ω    -66.00  28.00   1.00    1.77    --  -40.56  57.00  60.00   94
  3  ω    -51.00  33.00   1.00    1.77    --  -40.56  38.00-150.00   84
  4  ω      5.00  64.00   1.00    1.77    --   40.56 -99.00 120.00   59
  5  ω     26.00  80.00   1.00    1.77    --   40.56 -99.00-150.00   54
  6  ω    108.00 178.00   1.00    7.07    --  107.77  45.00-150.00   70
  7  ω     51.00 114.00   1.00    7.07    --  107.77 -61.00-120.00   63
  8  ω     63.00 132.00   1.00    7.07    --  107.77 -77.00  30.00   69
  9  ω     36.00  78.00   1.00    7.07    --  107.77-125.00  90.00   42
 10  ω    153.00 178.00   1.00    7.07    --  107.77  77.00-120.00   25
 11  ω     80.00 178.00   1.00    7.07    --  107.77  61.00  90.00   98
 12  ω     44.00 118.00   1.00    7.07    --  107.77 -45.00  90.00   74
 13  ω     75.00 132.00   1.00    7.07    --  107.77  77.00-120.00   57
 14  ω     39.00  65.00   1.00    7.07    --  107.77-125.00 -30.00   26
 15  ω     36.00  97.00   1.00    7.07    --  107.77 -45.00 -60.00   61
 16  ω     84.00 118.00   1.00    7.07    --  107.77-125.00 -30.00   34
 17  ω     74.00 101.00   1.00    7.07    --  107.77-125.00  60.00   27
 18  ω     69.00 117.00   1.00    7.07    --  107.77-125.00-120.00   48
 19  ω     26.00  82.00   1.00    7.07    --  107.77 -95.00-120.00   56
 20  ω     93.00 118.00   1.00    7.07    --  107.77-125.00  90.00   25
 21  ω     93.00 178.00   1.00    7.07    --  107.77   0.00-180.00   85
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0317193000
_diffrn_orient_matrix_UB_12      -0.0549798000
_diffrn_orient_matrix_UB_13      0.0605833000
_diffrn_orient_matrix_UB_21      -0.0032979000
_diffrn_orient_matrix_UB_22      0.0833757000
_diffrn_orient_matrix_UB_23      0.0319483000
_diffrn_orient_matrix_UB_31      -0.1056291000
_diffrn_orient_matrix_UB_32      0.0160309000
_diffrn_orient_matrix_UB_33      -0.0122694000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0998
_diffrn_reflns_av_unetI/netI     0.1164
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            34811
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.763
_diffrn_reflns_theta_min         3.719
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    22.889
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.15599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light bronze'
_exptl_crystal_density_diffrn    1.985
_exptl_crystal_description       block
_exptl_crystal_F_000             2686
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.796
_refine_diff_density_min         -2.729
_refine_diff_density_rms         0.347
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.195
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     922
_refine_ls_number_reflns         18877
_refine_ls_number_restraints     126
_refine_ls_restrained_S_all      1.192
_refine_ls_R_factor_all          0.1665
_refine_ls_R_factor_gt           0.1234
_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)+(0.2000P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3387
_refine_ls_wR_factor_ref         0.3901
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10652
_reflns_number_total             18877
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc00989g2.cif
_cod_data_source_block           20191113-lcc-acecluster-acetone_sq
_cod_depositor_comments
'Adding full bibliography for 1567108--1567115.cif.'
_cod_database_code               1567108
_shelxl_version_number           2013-2
_chemical_oxdiff_formula         'C H O N S F Ag'
_chemical_oxdiff_usercomment     'C H O N Fe Cl'
_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   0.208
_shelx_estimated_absorpt_t_min   0.055
_reflns_odcompleteness_completeness 99.50
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.79
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 S00F, C02K, F01R, F02J, F01D
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C73, F42, F32, F47
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 S00H, C58, F014, F021, F01U
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 F02V, C59, F02M, F01T, S00J
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C02K \\sim F01R \\sim F02J \\sim F01D \\sim S00F: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08
F42 \\sim C73 \\sim F32 \\sim F47: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
F014 \\sim C58 \\sim F01U \\sim F021 \\sim S00H: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08
S00J \\sim C59 \\sim F02V \\sim F01T \\sim F02M: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08
4.a Aromatic/amide H refined with riding coordinates:
 N00P(H00P), C025(H025), N01F(H01F), C029(H029), N00R(H00R), N00V(H00V),
 N00Z(H00Z), C010(H010), C018(H018), C01G(H01G), C01H(H01H), C01L(H01L),
 C01P(H01P), N01X(H01X), C022(H022), C027(H027), C02C(H02C), C02F(H02F)
4.b Fitted hexagon refined as free rotating group:
 C00Q(C01B,C025,C02G,N01F,C029)
4.c Idealised Me refined as rotating group:
 C01Q(H01A,H01B,H01C), C02D(H02A,H02B,H02D), C02O(H02E,H02G,H02H), C02R(H02I,
 H02J,H02K), C35(H35A,H35B,H35C), C0AA(H0AA,H0AB,H0AC)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.609
_oxdiff_exptl_absorpt_empirical_full_min 0.346
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
Ag01 Ag 0.39000(11) 0.67813(9) 0.60649(6) 0.0565(4) Uani 1 1 d . . . . .
Ag02 Ag 0.20668(11) 0.72224(10) 0.64068(6) 0.0580(4) Uani 1 1 d . . . . .
Ag03 Ag 0.25253(11) 0.55369(9) 0.68950(7) 0.0597(4) Uani 1 1 d . . . . .
Ag04 Ag 0.51972(12) 0.65085(9) 0.68967(7) 0.0602(4) Uani 1 1 d . . . . .
Ag05 Ag 0.46195(12) 0.82356(9) 0.67880(7) 0.0595(4) Uani 1 1 d . . . . .
Ag06 Ag 0.13417(12) 0.76262(11) 0.77701(7) 0.0621(4) Uani 1 1 d . . . . .
Ag07 Ag 0.37827(12) 0.51327(9) 0.77784(6) 0.0609(4) Uani 1 1 d . . . . .
Ag08 Ag 0.32737(11) 0.69511(10) 0.74424(7) 0.0579(4) Uani 1 1 d . . . . .
Ag09 Ag 0.26361(13) 0.71432(11) 0.87664(7) 0.0658(4) Uani 1 1 d . . . . .
Ag0A Ag 0.17379(12) 0.59269(11) 0.82532(7) 0.0662(5) Uani 1 1 d . . . . .
Ag0B Ag 0.46330(12) 0.64291(10) 0.83310(7) 0.0633(4) Uani 1 1 d . . . . .
Ag0C Ag 0.27292(13) 0.87468(10) 0.71139(7) 0.0624(4) Uani 1 1 d . . . . .
Ag0D Ag 0.41190(13) 0.81583(11) 0.82188(7) 0.0660(4) Uani 1 1 d . . . . .
S00E S 0.5882(4) 0.7979(4) 0.5258(3) 0.0681(14) Uani 1 1 d . . . . .
S00F S 0.6748(5) 0.5125(5) 0.7751(3) 0.0808(18) Uani 1 1 d . U . . .
S00G S 0.4932(6) 1.0215(4) 0.7485(3) 0.0848(18) Uani 1 1 d . . . . .
S00H S 0.5262(8) 0.2695(5) 1.0134(3) 0.101(2) Uani 1 1 d . U . . .
S00I S -0.0132(6) 0.8538(6) 0.6603(4) 0.096(2) Uani 1 1 d . . . . .
S00J S 0.0202(7) 0.7360(11) 0.9284(4) 0.142(5) Uani 1 1 d . U . . .
O00L O 0.5730(14) 0.8575(10) 0.4752(9) 0.083(5) Uani 1 1 d . . . . .
O00M O 0.5062(16) 0.3442(12) 1.0416(8) 0.088(6) Uani 1 1 d . . . . .
F00N F 0.6127(19) 1.0981(16) 0.8047(9) 0.136(8) Uani 1 1 d . . . . .
O00O O 0.5370(14) 0.7171(9) 0.5309(8) 0.086(6) Uani 1 1 d . . . . .
N00P N 0.3689(14) 0.9714(11) 0.5303(9) 0.065(5) Uani 1 1 d . . . . .
H00P H 0.3901 1.0206 0.5121 0.078 Uiso 1 1 calc R . . . .
C00Q C 0.0785(9) 0.6360(9) 0.7537(6) 0.077(8) Uani 1 1 d . . . . .
C01B C 0.1110(8) 0.6248(10) 0.6945(6) 0.077(7) Uani 1 1 d G . . . .
C025 C 0.0472(10) 0.6029(10) 0.6554(5) 0.079(8) Uani 1 1 d G . . . .
H025 H 0.0690 0.5953 0.6158 0.095 Uiso 1 1 calc R . . . .
C02G C -0.0491(9) 0.5921(10) 0.6755(6) 0.071(6) Uani 1 1 d G . . . .
N01F N -0.0816(8) 0.6034(10) 0.7347(6) 0.082(7) Uani 1 1 d G . . . .
H01F H -0.1411 0.5967 0.7472 0.098 Uiso 1 1 calc R . . . .
C029 C -0.0177(10) 0.6253(10) 0.7738(5) 0.069(6) Uani 1 1 d G . . . .
H029 H -0.0395 0.6328 0.8134 0.083 Uiso 1 1 calc R . . . .
N00R N 0.5207(13) 0.4299(12) 0.5937(7) 0.061(4) Uani 1 1 d . . . . .
H00R H 0.5569 0.4113 0.5645 0.074 Uiso 1 1 calc R . . . .
O00S O 0.1120(12) 0.7307(16) 0.9500(10) 0.096(6) Uani 1 1 d . . . . .
O00T O 0.4759(15) 0.9660(13) 0.8027(8) 0.084(5) Uani 1 1 d . . . . .
O00U O 0.5841(16) 0.8404(12) 0.5783(10) 0.094(6) Uani 1 1 d . . . . .
N00V N 0.7326(18) 0.7960(17) 0.7416(11) 0.092(8) Uani 1 1 d . . . . .
H00V H 0.7893 0.8075 0.7247 0.111 Uiso 1 1 calc R . . . .
O00X O 0.6583(15) 0.5506(15) 0.7155(9) 0.100(7) Uani 1 1 d . . . . .
O00Y O 0.5902(13) 0.5024(15) 0.8188(11) 0.108(8) Uani 1 1 d . . . . .
N00Z N 0.3832(14) 0.4521(13) 0.9688(8) 0.067(5) Uani 1 1 d . . . . .
H00Z H 0.4185 0.4176 0.9911 0.080 Uiso 1 1 calc R . . . .
C010 C 0.3692(19) 0.9573(13) 0.5903(10) 0.067(6) Uani 1 1 d . . . . .
H010 H 0.3865 1.0010 0.6120 0.081 Uiso 1 1 calc R . . . .
F011 F 0.6409(18) 1.1227(16) 0.7095(10) 0.130(8) Uani 1 1 d . . . . .
C012 C 0.276(2) 0.5627(15) 0.8952(14) 0.083(8) Uani 1 1 d . . . . .
C013 C 0.309(2) 0.8084(12) 0.5877(9) 0.077(8) Uani 1 1 d . . . . .
F014 F 0.7043(18) 0.2873(17) 0.9940(10) 0.132(6) Uani 1 1 d . U . . .
O015 O 0.542(2) 0.1918(17) 1.0537(12) 0.126(9) Uani 1 1 d . . . . .
C016 C 0.5753(16) 0.7566(14) 0.7307(12) 0.066(6) Uani 1 1 d . . . . .
C017 C 0.206(2) 0.8803(13) 0.8006(9) 0.070(6) Uani 1 1 d . . . . .
C018 C 0.6677(17) 0.7778(16) 0.7060(10) 0.066(6) Uani 1 1 d . . . . .
H018 H 0.6839 0.7791 0.6646 0.080 Uiso 1 1 calc R . . . .
C019 C 0.4618(16) 0.5509(10) 0.6459(8) 0.056(5) Uani 1 1 d . . . . .
F01A F 0.7299(17) 0.7301(18) 0.4639(11) 0.144(9) Uani 1 1 d . . . . .
C01C C 0.3413(16) 0.8710(11) 0.6205(11) 0.064(6) Uani 1 1 d . . . . .
F01D F 0.7939(18) 0.4011(16) 0.7263(11) 0.154(9) Uani 1 1 d . U . . .
F01E F 0.7632(16) 0.847(2) 0.5029(17) 0.175(13) Uani 1 1 d . . . . .
C01G C 0.3073(18) 0.8332(15) 0.5243(9) 0.068(6) Uani 1 1 d . . . . .
H01G H 0.2846 0.7940 0.5009 0.082 Uiso 1 1 calc R . . . .
C01H C 0.4151(17) 0.4796(15) 0.9127(10) 0.069(6) Uani 1 1 d . . . . .
H01H H 0.4763 0.4612 0.8991 0.082 Uiso 1 1 calc R . . . .
C01I C 0.3385(19) 0.9150(14) 0.4971(10) 0.072(7) Uani 1 1 d . . . . .
O01J O 0.0072(19) 0.769(3) 0.8741(11) 0.161(15) Uani 1 1 d . . . . .
C01K C 0.2657(15) 0.8616(12) 0.8495(10) 0.055(4) Uani 1 1 d . . . . .
C01L C 0.5222(14) 0.5150(13) 0.5988(10) 0.059(5) Uani 1 1 d . . . . .
H01L H 0.5623 0.5516 0.5719 0.070 Uiso 1 1 calc R . . . .
O01M O 0.504(2) 0.9811(16) 0.6941(9) 0.123(10) Uani 1 1 d . . . . .
F01N F 0.6772(18) 0.9944(17) 0.7538(15) 0.153(10) Uani 1 1 d . . . . .
C01O C 0.6150(19) 1.0614(18) 0.7560(14) 0.078(7) Uani 1 1 d . . . . .
C01P C 0.238(2) 0.5351(18) 0.9534(11) 0.084(8) Uani 1 1 d . . . . .
H01P H 0.1769 0.5535 0.9671 0.101 Uiso 1 1 calc R . . . .
C01Q C 0.484(2) 0.2800(18) 0.6223(12) 0.088(8) Uani 1 1 d . . . . .
H01A H 0.5305 0.2749 0.5887 0.132 Uiso 1 1 calc GR . . . .
H01B H 0.4246 0.2553 0.6148 0.132 Uiso 1 1 calc GR . . . .
H01C H 0.5061 0.2489 0.6583 0.132 Uiso 1 1 calc GR . . . .
F01R F 0.704(2) 0.3428(14) 0.7986(12) 0.145(8) Uani 1 1 d . U . . .
C01S C 0.4679(19) 0.3706(14) 0.6300(10) 0.067(6) Uani 1 1 d . . . . .
F01T F -0.0525(17) 0.750(2) 1.0392(9) 0.159(10) Uani 1 1 d . U . . .
F01U F 0.617(2) 0.3605(17) 0.9265(12) 0.148(9) Uani 1 1 d . U . . .
O01W O 0.7553(15) 0.540(3) 0.7982(10) 0.161(15) Uani 1 1 d . . . . .
N01X N 0.1279(17) 0.9939(19) 0.8537(12) 0.101(8) Uani 1 1 d . . . . .
H01X H 0.0872 1.0370 0.8545 0.122 Uiso 1 1 calc R . . . .
O01Y O 0.0701(15) 0.8283(18) 0.6276(13) 0.123(10) Uani 1 1 d . . . . .
F01Z F 0.747(2) 0.730(2) 0.5549(15) 0.22(2) Uani 1 1 d . . . . .
O020 O -0.0927(16) 0.802(2) 0.6654(15) 0.133(10) Uani 1 1 d . . . . .
F021 F 0.641(2) 0.2152(17) 0.9283(10) 0.142(8) Uani 1 1 d . U . . .
C022 C 0.4026(18) 0.4001(14) 0.6730(9) 0.063(5) Uani 1 1 d . . . . .
H022 H 0.3601 0.3610 0.6958 0.076 Uiso 1 1 calc R . . . .
C023 C 0.3991(16) 0.4914(15) 0.6832(9) 0.063(5) Uani 1 1 d . . . . .
O024 O 0.4378(19) 1.1015(16) 0.7460(13) 0.119(8) Uani 1 1 d . . . . .
O026 O 0.448(2) 0.254(2) 0.9753(12) 0.129(10) Uani 1 1 d . . . . .
C027 C 0.134(2) 0.9490(14) 0.8066(13) 0.085(8) Uani 1 1 d . . . . .
H027 H 0.0918 0.9618 0.7771 0.103 Uiso 1 1 calc R . . . .
C028 C 0.365(2) 0.5330(19) 0.8730(10) 0.090(9) Uani 1 1 d . . . . .
C02A C 0.294(2) 0.4782(17) 0.9924(10) 0.080(8) Uani 1 1 d . . . . .
C02B C 0.557(2) 0.7526(16) 0.7956(10) 0.077(8) Uani 1 1 d . . . . .
C02C C 0.256(2) 0.9106(14) 0.8957(10) 0.077(7) Uani 1 1 d . . . . .
H02C H 0.2995 0.9014 0.9248 0.093 Uiso 1 1 calc R . . . .
C02D C 0.344(2) 0.942(2) 0.4308(12) 0.092(9) Uani 1 1 d . . . . .
H02A H 0.3029 0.9918 0.4223 0.138 Uiso 1 1 calc GR . . . .
H02B H 0.3242 0.8939 0.4113 0.138 Uiso 1 1 calc GR . . . .
H02D H 0.4089 0.9561 0.4160 0.138 Uiso 1 1 calc GR . . . .
C02E C 0.718(2) 0.798(3) 0.8028(17) 0.109(13) Uani 1 1 d . . . . .
C02F C 0.632(2) 0.7785(17) 0.8287(10) 0.075(7) Uani 1 1 d . . . . .
H02F H 0.6190 0.7814 0.8699 0.090 Uiso 1 1 calc R . . . .
F02J F 0.638(3) 0.372(2) 0.7199(17) 0.190(10) Uani 1 1 d . U . . .
C02K C 0.703(3) 0.393(3) 0.7575(18) 0.122(7) Uani 1 1 d . U . . .
O02L O 0.003(3) 0.877(2) 0.7167(17) 0.182(16) Uani 1 1 d . . . . .
F02M F -0.1459(19) 0.784(3) 0.9710(12) 0.221(14) Uani 1 1 d . U . . .
C02O C 0.262(2) 0.446(3) 1.0564(12) 0.107(13) Uani 1 1 d . . . . .
H02E H 0.2120 0.4049 1.0579 0.160 Uiso 1 1 calc GR . . . .
H02G H 0.2386 0.4952 1.0769 0.160 Uiso 1 1 calc GR . . . .
H02H H 0.3152 0.4187 1.0757 0.160 Uiso 1 1 calc GR . . . .
C02R C -0.1244(18) 0.573(2) 0.6357(12) 0.084(7) Uani 1 1 d . . . . .
H02I H -0.1181 0.6126 0.5989 0.126 Uiso 1 1 calc GR . . . .
H02J H -0.1869 0.5806 0.6563 0.126 Uiso 1 1 calc GR . . . .
H02K H -0.1164 0.5136 0.6265 0.126 Uiso 1 1 calc GR . . . .
C02S C 0.712(3) 0.766(3) 0.512(2) 0.119(13) Uani 1 1 d . . . . .
F02V F -0.003(3) 0.870(3) 0.9607(19) 0.242(14) Uani 1 1 d . U . . .
C02X C 0.183(2) 0.975(2) 0.9017(12) 0.093(9) Uani 1 1 d . . . . .
C35 C 0.805(4) 0.812(4) 0.834(2) 0.16(2) Uani 1 1 d . . . . .
H35A H 0.8259 0.7575 0.8538 0.246 Uiso 1 1 calc GR . . . .
H35B H 0.7893 0.8530 0.8625 0.246 Uiso 1 1 calc GR . . . .
H35C H 0.8545 0.8358 0.8041 0.246 Uiso 1 1 calc GR . . . .
O43 O -0.042(3) 0.647(3) 0.946(4) 0.28(4) Uani 1 1 d . . . . .
C58 C 0.624(3) 0.286(2) 0.9625(17) 0.109(6) Uani 1 1 d . U . . .
C59 C -0.053(4) 0.782(5) 0.981(2) 0.174(11) Uani 1 1 d . U . . .
F32 F -0.120(3) 0.989(3) 0.650(2) 0.259(18) Uani 1 1 d . U . . .
F47 F -0.069(3) 0.946(3) 0.565(2) 0.231(15) Uani 1 1 d . U . . .
C73 C -0.050(5) 0.945(4) 0.621(4) 0.185(15) Uani 1 1 d . U . . .
C0AA C 0.166(4) 1.035(2) 0.9511(17) 0.140(17) Uani 1 1 d . . . . .
H0AA H 0.1558 1.0940 0.9332 0.210 Uiso 1 1 calc GR . . . .
H0AB H 0.2206 1.0317 0.9738 0.210 Uiso 1 1 calc GR . . . .
H0AC H 0.1103 1.0158 0.9774 0.210 Uiso 1 1 calc GR . . . .
F42 F 0.030(4) 1.005(3) 0.607(3) 0.29(2) Uani 1 1 d . U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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 56.66(5) . . ?
Ag02 Ag01 Ag04 120.08(6) . . ?
Ag02 Ag01 Ag05 89.92(6) . . ?
Ag02 Ag01 Ag08 60.57(5) . . ?
Ag03 Ag01 Ag05 110.36(6) . . ?
Ag03 Ag01 Ag08 55.25(5) . . ?
Ag04 Ag01 Ag03 89.26(6) . . ?
Ag04 Ag01 Ag05 54.81(5) . . ?
Ag04 Ag01 Ag08 59.51(5) . . ?
Ag05 Ag01 Ag08 55.12(5) . . ?
O00O Ag01 Ag02 145.2(4) . . ?
O00O Ag01 Ag03 155.3(3) . . ?
O00O Ag01 Ag04 84.6(5) . . ?
O00O Ag01 Ag05 85.4(4) . . ?
O00O Ag01 Ag08 136.8(5) . . ?
C013 Ag01 Ag02 50.3(6) . . ?
C013 Ag01 Ag03 106.9(6) . . ?
C013 Ag01 Ag04 122.6(7) . . ?
C013 Ag01 Ag05 68.1(7) . . ?
C013 Ag01 Ag08 85.2(5) . . ?
C013 Ag01 O00O 96.5(7) . . ?
C013 Ag01 C019 168.1(6) . . ?
C019 Ag01 Ag02 122.5(5) . . ?
C019 Ag01 Ag03 66.2(5) . . ?
C019 Ag01 Ag04 49.8(6) . . ?
C019 Ag01 Ag05 104.4(6) . . ?
C019 Ag01 Ag08 82.9(4) . . ?
C019 Ag01 O00O 92.0(6) . . ?
Ag01 Ag02 Ag03 68.58(5) . . ?
Ag01 Ag02 Ag06 122.92(7) . . ?
Ag01 Ag02 Ag08 67.46(5) . . ?
Ag01 Ag02 Ag0C 91.75(6) . . ?
Ag03 Ag02 Ag06 87.69(5) . . ?
Ag03 Ag02 Ag08 60.37(6) . . ?
Ag03 Ag02 Ag0C 115.11(7) . . ?
Ag08 Ag02 Ag06 55.81(5) . . ?
Ag08 Ag02 Ag0C 55.04(5) . . ?
Ag0C Ag02 Ag06 51.78(5) . . ?
C01B Ag02 Ag01 120.4(3) . . ?
C01B Ag02 Ag03 52.0(3) . . ?
C01B Ag02 Ag06 64.0(4) . . ?
C01B Ag02 Ag08 85.8(4) . . ?
C01B Ag02 Ag0C 115.4(4) . . ?
C01B Ag02 O01Y 90.9(6) . . ?
C013 Ag02 Ag01 54.6(6) . . ?
C013 Ag02 Ag03 123.0(6) . . ?
C013 Ag02 Ag06 118.3(6) . . ?
C013 Ag02 Ag08 92.1(8) . . ?
C013 Ag02 Ag0C 66.6(6) . . ?
C013 Ag02 C01B 175.0(7) . . ?
C013 Ag02 O01Y 94.0(8) . . ?
O01Y Ag02 Ag01 147.8(4) . . ?
O01Y Ag02 Ag03 142.8(5) . . ?
O01Y Ag02 Ag06 75.5(7) . . ?
O01Y Ag02 Ag08 127.1(8) . . ?
O01Y Ag02 Ag0C 80.0(8) . . ?
Ag01 Ag03 Ag0A 122.02(7) . . ?
Ag02 Ag03 Ag01 54.76(5) . . ?
Ag02 Ag03 Ag07 124.39(8) . . ?
Ag02 Ag03 Ag08 63.65(6) . . ?
Ag02 Ag03 Ag0A 92.20(5) . . ?
Ag07 Ag03 Ag01 94.87(6) . . ?
Ag07 Ag03 Ag08 61.05(6) . . ?
Ag07 Ag03 Ag0A 63.85(5) . . ?
Ag08 Ag03 Ag01 63.93(5) . . ?
Ag08 Ag03 Ag0A 58.56(5) . . ?
C01B Ag03 Ag01 105.6(3) . . ?
C01B Ag03 Ag02 51.0(3) . . ?
C01B Ag03 Ag07 129.6(4) . . ?
C01B Ag03 Ag08 87.4(4) . . ?
C01B Ag03 Ag0A 66.2(4) . . ?
C01B Ag03 C023 176.1(7) . . ?
C023 Ag03 Ag01 70.9(5) . . ?
C023 Ag03 Ag02 125.3(6) . . ?
C023 Ag03 Ag07 50.1(6) . . ?
C023 Ag03 Ag08 89.4(6) . . ?
C023 Ag03 Ag0A 113.8(5) . . ?
Ag01 Ag04 Ag05 70.89(6) . . ?
Ag01 Ag04 Ag07 91.62(6) . . ?
Ag01 Ag04 Ag08 67.83(5) . . ?
Ag01 Ag04 Ag0B 123.56(6) . . ?
Ag05 Ag04 Ag07 116.31(6) . . ?
Ag05 Ag04 Ag08 61.91(5) . . ?
Ag05 Ag04 Ag0B 88.02(5) . . ?
Ag08 Ag04 Ag07 54.88(4) . . ?
Ag08 Ag04 Ag0B 56.18(5) . . ?
Ag0B Ag04 Ag07 51.49(5) . . ?
O00X Ag04 Ag01 140.0(5) . . ?
O00X Ag04 Ag05 142.5(6) . . ?
O00X Ag04 Ag07 88.4(5) . . ?
O00X Ag04 Ag08 138.3(4) . . ?
O00X Ag04 Ag0B 86.6(4) . . ?
C016 Ag04 Ag01 122.7(6) . . ?
C016 Ag04 Ag05 52.1(6) . . ?
C016 Ag04 Ag07 116.6(6) . . ?
C016 Ag04 Ag08 88.4(6) . . ?
C016 Ag04 Ag0B 65.3(6) . . ?
C016 Ag04 O00X 92.4(9) . . ?
C019 Ag04 Ag01 54.6(5) . . ?
C019 Ag04 Ag05 125.2(5) . . ?
C019 Ag04 Ag07 64.9(5) . . ?
C019 Ag04 Ag08 90.8(5) . . ?
C019 Ag04 Ag0B 116.4(5) . . ?
C019 Ag04 O00X 90.0(8) . . ?
C019 Ag04 C016 177.2(8) . . ?
Ag01 Ag05 Ag0D 121.21(6) . . ?
Ag04 Ag05 Ag01 54.29(5) . . ?
Ag04 Ag05 Ag08 62.58(5) . . ?
Ag04 Ag05 Ag0C 121.80(7) . . ?
Ag04 Ag05 Ag0D 91.61(6) . . ?
Ag08 Ag05 Ag01 62.50(5) . . ?
Ag08 Ag05 Ag0D 59.18(5) . . ?
Ag0C Ag05 Ag01 90.69(6) . . ?
Ag0C Ag05 Ag08 59.96(5) . . ?
Ag0C Ag05 Ag0D 66.84(5) . . ?
C016 Ag05 Ag01 104.6(6) . . ?
C016 Ag05 Ag04 50.5(6) . . ?
C016 Ag05 Ag08 88.0(5) . . ?
C016 Ag05 Ag0C 132.9(6) . . ?
C016 Ag05 Ag0D 67.2(6) . . ?
C016 Ag05 C01C 170.8(8) . . ?
C016 Ag05 O01M 96.2(9) . . ?
C01C Ag05 Ag01 66.2(5) . . ?
C01C Ag05 Ag04 120.2(5) . . ?
C01C Ag05 Ag08 86.9(5) . . ?
C01C Ag05 Ag0C 49.4(5) . . ?
C01C Ag05 Ag0D 116.2(5) . . ?
C01C Ag05 O01M 92.9(8) . . ?
O01M Ag05 Ag01 154.9(5) . . ?
O01M Ag05 Ag04 145.8(7) . . ?
O01M Ag05 Ag08 133.3(6) . . ?
O01M Ag05 Ag0C 85.2(7) . . ?
O01M Ag05 Ag0D 79.7(4) . . ?
Ag08 Ag06 Ag02 57.48(5) . . ?
Ag08 Ag06 Ag09 61.90(5) . . ?
Ag09 Ag06 Ag02 119.16(6) . . ?
Ag0A Ag06 Ag02 92.34(6) . . ?
Ag0A Ag06 Ag08 64.19(5) . . ?
Ag0A Ag06 Ag09 55.82(6) . . ?
Ag0A Ag06 Ag0C 123.53(7) . . ?
Ag0C Ag06 Ag02 63.06(5) . . ?
Ag0C Ag06 Ag08 59.72(5) . . ?
Ag0C Ag06 Ag09 91.26(7) . . ?
C00Q Ag06 Ag02 66.5(3) . . ?
C00Q Ag06 Ag08 87.4(3) . . ?
C00Q Ag06 Ag09 107.0(3) . . ?
C00Q Ag06 Ag0A 51.2(3) . . ?
C00Q Ag06 Ag0C 129.0(3) . . ?
C017 Ag06 Ag02 111.3(5) . . ?
C017 Ag06 Ag08 86.1(6) . . ?
C017 Ag06 Ag09 68.0(6) . . ?
C017 Ag06 Ag0A 123.6(6) . . ?
C017 Ag06 Ag0C 48.2(5) . . ?
C017 Ag06 C00Q 173.2(7) . . ?
Ag03 Ag07 Ag04 84.20(5) . . ?
Ag03 Ag07 Ag08 61.47(5) . . ?
Ag03 Ag07 Ag0A 65.28(5) . . ?
Ag03 Ag07 Ag0B 122.82(6) . . ?
Ag08 Ag07 Ag04 56.67(4) . . ?
Ag08 Ag07 Ag0A 59.14(5) . . ?
Ag0A Ag07 Ag04 115.80(5) . . ?
Ag0B Ag07 Ag04 63.20(5) . . ?
Ag0B Ag07 Ag08 61.39(5) . . ?
Ag0B Ag07 Ag0A 87.39(6) . . ?
C023 Ag07 Ag03 52.0(6) . . ?
C023 Ag07 Ag04 64.2(6) . . ?
C023 Ag07 Ag08 90.9(6) . . ?
C023 Ag07 Ag0A 117.2(6) . . ?
C023 Ag07 Ag0B 127.3(6) . . ?
C023 Ag07 C028 177.0(11) . . ?
C028 Ag07 Ag03 131.0(9) . . ?
C028 Ag07 Ag04 114.7(8) . . ?
C028 Ag07 Ag08 90.7(7) . . ?
C028 Ag07 Ag0A 65.9(9) . . ?
C028 Ag07 Ag0B 51.5(8) . . ?
Ag02 Ag08 Ag01 51.97(5) . . ?
Ag02 Ag08 Ag09 126.99(6) . . ?
Ag02 Ag08 Ag0A 92.70(6) . . ?
Ag02 Ag08 Ag0D 134.62(6) . . ?
Ag03 Ag08 Ag01 60.82(5) . . ?
Ag03 Ag08 Ag02 55.99(5) . . ?
Ag03 Ag08 Ag04 88.56(6) . . ?
Ag03 Ag08 Ag05 123.19(6) . . ?
Ag03 Ag08 Ag06 91.74(6) . . ?
Ag03 Ag08 Ag09 119.30(6) . . ?
Ag03 Ag08 Ag0A 66.66(5) . . ?
Ag03 Ag08 Ag0B 115.75(6) . . ?
Ag03 Ag08 Ag0D 168.83(7) . . ?
Ag04 Ag08 Ag01 52.65(5) . . ?
Ag04 Ag08 Ag02 104.61(6) . . ?
Ag04 Ag08 Ag09 128.38(7) . . ?
Ag04 Ag08 Ag0A 134.36(6) . . ?
Ag04 Ag08 Ag0D 91.06(6) . . ?
Ag05 Ag08 Ag01 62.38(5) . . ?
Ag05 Ag08 Ag02 89.28(6) . . ?
Ag05 Ag08 Ag04 55.51(5) . . ?
Ag05 Ag08 Ag06 115.87(6) . . ?
Ag05 Ag08 Ag09 117.50(7) . . ?
Ag05 Ag08 Ag0A 168.53(7) . . ?
Ag05 Ag08 Ag0D 64.92(5) . . ?
Ag06 Ag08 Ag01 118.36(7) . . ?
Ag06 Ag08 Ag02 66.71(5) . . ?
Ag06 Ag08 Ag04 168.89(7) . . ?
Ag06 Ag08 Ag09 60.54(5) . . ?
Ag06 Ag08 Ag0A 55.15(5) . . ?
Ag06 Ag08 Ag0D 90.77(6) . . ?
Ag07 Ag08 Ag01 90.95(5) . . ?
Ag07 Ag08 Ag02 113.22(7) . . ?
Ag07 Ag08 Ag03 57.48(6) . . ?
Ag07 Ag08 Ag04 68.45(5) . . ?
Ag07 Ag08 Ag05 123.40(6) . . ?
Ag07 Ag08 Ag06 120.72(6) . . ?
Ag07 Ag08 Ag09 90.05(6) . . ?
Ag07 Ag08 Ag0A 65.91(5) . . ?
Ag07 Ag08 Ag0B 58.30(6) . . ?
Ag07 Ag08 Ag0D 112.15(7) . . ?
Ag09 Ag08 Ag01 178.81(7) . . ?
Ag0A Ag08 Ag01 126.97(7) . . ?
Ag0A Ag08 Ag09 52.99(6) . . ?
Ag0A Ag08 Ag0D 106.27(6) . . ?
Ag0B Ag08 Ag01 118.94(6) . . ?
Ag0B Ag08 Ag02 169.17(7) . . ?
Ag0B Ag08 Ag04 66.70(5) . . ?
Ag0B Ag08 Ag05 90.63(6) . . ?
Ag0B Ag08 Ag06 122.70(6) . . ?
Ag0B Ag08 Ag09 62.17(5) . . ?
Ag0B Ag08 Ag0A 89.53(6) . . ?
Ag0B Ag08 Ag0D 54.25(5) . . ?
Ag0C Ag08 Ag01 89.40(5) . . ?
Ag0C Ag08 Ag02 66.20(5) . . ?
Ag0C Ag08 Ag03 121.84(7) . . ?
Ag0C Ag08 Ag04 112.60(6) . . ?
Ag0C Ag08 Ag05 57.71(5) . . ?
Ag0C Ag08 Ag06 58.18(5) . . ?
Ag0C Ag08 Ag07 178.86(8) . . ?
Ag0C Ag08 Ag09 89.58(6) . . ?
Ag0C Ag08 Ag0A 113.03(6) . . ?
Ag0C Ag08 Ag0B 122.40(8) . . ?
Ag0C Ag08 Ag0D 68.44(6) . . ?
Ag0D Ag08 Ag01 126.76(6) . . ?
Ag0D Ag08 Ag09 53.32(6) . . ?
Ag06 Ag09 Ag08 57.56(5) . . ?
Ag06 Ag09 Ag0B 114.14(6) . . ?
Ag08 Ag09 Ag0B 56.58(5) . . ?
Ag0A Ag09 Ag06 57.15(6) . . ?
Ag0A Ag09 Ag08 62.81(5) . . ?
Ag0A Ag09 Ag0B 92.02(6) . . ?
Ag0A Ag09 Ag0D 125.63(7) . . ?
Ag0D Ag09 Ag06 94.94(6) . . ?
Ag0D Ag09 Ag08 62.88(5) . . ?
Ag0D Ag09 Ag0B 55.18(5) . . ?
O00S Ag09 Ag06 85.8(4) . . ?
O00S Ag09 Ag08 141.9(5) . . ?
O00S Ag09 Ag0A 89.6(6) . . ?
O00S Ag09 Ag0B 157.0(4) . . ?
O00S Ag09 Ag0D 138.1(6) . . ?
C012 Ag09 Ag06 108.7(9) . . ?
C012 Ag09 Ag08 87.0(7) . . ?
C012 Ag09 Ag0A 51.6(9) . . ?
C012 Ag09 Ag0B 67.6(6) . . ?
C012 Ag09 Ag0D 122.7(6) . . ?
C012 Ag09 O00S 96.0(8) . . ?
C01K Ag09 Ag06 70.7(6) . . ?
C01K Ag09 Ag08 87.1(5) . . ?
C01K Ag09 Ag0A 127.7(6) . . ?
C01K Ag09 Ag0B 106.3(5) . . ?
C01K Ag09 Ag0D 51.2(5) . . ?
C01K Ag09 O00S 90.7(7) . . ?
C01K Ag09 C012 173.2(8) . . ?
Ag06 Ag0A Ag03 87.71(5) . . ?
Ag06 Ag0A Ag07 115.30(6) . . ?
Ag06 Ag0A Ag08 60.66(5) . . ?
Ag07 Ag0A Ag03 50.87(5) . . ?
Ag08 Ag0A Ag03 54.78(5) . . ?
Ag08 Ag0A Ag07 54.95(4) . . ?
Ag09 Ag0A Ag03 118.63(7) . . ?
Ag09 Ag0A Ag06 67.03(6) . . ?
Ag09 Ag0A Ag07 89.96(7) . . ?
Ag09 Ag0A Ag08 64.20(6) . . ?
C00Q Ag0A Ag03 64.1(3) . . ?
C00Q Ag0A Ag06 52.6(4) . . ?
C00Q Ag0A Ag07 114.7(3) . . ?
C00Q Ag0A Ag08 85.8(3) . . ?
C00Q Ag0A Ag09 119.6(4) . . ?
C00Q Ag0A C012 174.2(7) . . ?
C012 Ag0A Ag03 115.9(6) . . ?
C012 Ag0A Ag06 121.8(6) . . ?
C012 Ag0A Ag07 65.0(6) . . ?
C012 Ag0A Ag08 89.7(6) . . ?
C012 Ag0A Ag09 54.9(6) . . ?
Ag07 Ag0B Ag04 65.31(5) . . ?
Ag07 Ag0B Ag08 60.32(6) . . ?
Ag07 Ag0B Ag09 90.63(7) . . ?
Ag08 Ag0B Ag04 57.12(5) . . ?
Ag08 Ag0B Ag09 61.25(5) . . ?
Ag09 Ag0B Ag04 117.98(6) . . ?
Ag0D Ag0B Ag04 91.56(6) . . ?
Ag0D Ag0B Ag07 124.98(8) . . ?
Ag0D Ag0B Ag08 65.18(6) . . ?
Ag0D Ag0B Ag09 55.83(6) . . ?
C028 Ag0B Ag04 114.6(7) . . ?
C028 Ag0B Ag07 49.3(7) . . ?
C028 Ag0B Ag08 88.5(8) . . ?
C028 Ag0B Ag09 68.8(7) . . ?
C028 Ag0B Ag0D 124.6(7) . . ?
C02B Ag0B Ag04 66.5(7) . . ?
C02B Ag0B Ag07 131.8(7) . . ?
C02B Ag0B Ag08 91.3(7) . . ?
C02B Ag0B Ag09 109.8(6) . . ?
C02B Ag0B Ag0D 54.0(6) . . ?
C02B Ag0B C028 178.4(9) . . ?
Ag02 Ag0C Ag0D 117.01(6) . . ?
Ag05 Ag0C Ag02 87.59(6) . . ?
Ag05 Ag0C Ag06 124.41(6) . . ?
Ag05 Ag0C Ag08 62.33(5) . . ?
Ag05 Ag0C Ag0D 62.47(5) . . ?
Ag06 Ag0C Ag02 65.15(5) . . ?
Ag06 Ag0C Ag08 62.10(5) . . ?
Ag06 Ag0C Ag0D 87.20(6) . . ?
Ag08 Ag0C Ag02 58.76(5) . . ?
Ag08 Ag0C Ag0D 58.28(5) . . ?
C017 Ag0C Ag02 116.8(7) . . ?
C017 Ag0C Ag05 127.0(7) . . ?
C017 Ag0C Ag06 51.7(7) . . ?
C017 Ag0C Ag08 89.9(5) . . ?
C017 Ag0C Ag0D 64.5(7) . . ?
C017 Ag0C C01C 179.1(8) . . ?
C01C Ag0C Ag02 64.0(6) . . ?
C01C Ag0C Ag05 53.0(6) . . ?
C01C Ag0C Ag06 129.1(6) . . ?
C01C Ag0C Ag08 90.8(4) . . ?
C01C Ag0C Ag0D 115.4(6) . . ?
Ag05 Ag0D Ag0C 50.70(5) . . ?
Ag08 Ag0D Ag05 55.90(5) . . ?
Ag08 Ag0D Ag0C 53.28(5) . . ?
Ag09 Ag0D Ag05 118.92(8) . . ?
Ag09 Ag0D Ag08 63.79(6) . . ?
Ag09 Ag0D Ag0C 86.59(7) . . ?
Ag0B Ag0D Ag05 88.76(6) . . ?
Ag0B Ag0D Ag08 60.58(6) . . ?
Ag0B Ag0D Ag09 68.99(6) . . ?
Ag0B Ag0D Ag0C 113.61(7) . . ?
O00T Ag0D Ag05 82.1(4) . . ?
O00T Ag0D Ag08 134.2(4) . . ?
O00T Ag0D Ag09 145.1(4) . . ?
O00T Ag0D Ag0B 143.5(5) . . ?
O00T Ag0D Ag0C 87.4(5) . . ?
C01K Ag0D Ag05 114.4(6) . . ?
C01K Ag0D Ag08 88.9(5) . . ?
C01K Ag0D Ag09 53.3(5) . . ?
C01K Ag0D Ag0B 122.2(5) . . ?
C01K Ag0D Ag0C 63.8(6) . . ?
C01K Ag0D O00T 93.5(7) . . ?
C01K Ag0D C02B 173.5(9) . . ?
C02B Ag0D Ag05 66.7(6) . . ?
C02B Ag0D Ag08 86.7(8) . . ?
C02B Ag0D Ag09 120.2(7) . . ?
C02B Ag0D Ag0B 51.3(7) . . ?
C02B Ag0D Ag0C 116.8(6) . . ?
C02B Ag0D O00T 93.0(9) . . ?
O00L S00E O00O 115.2(13) . . ?
O00L S00E O00U 111.1(12) . . ?
O00L S00E C02S 103.2(18) . . ?
O00O S00E C02S 104.8(17) . . ?
O00U S00E O00O 116.4(11) . . ?
O00U S00E C02S 104.3(18) . . ?
O00X S00F O00Y 116.0(13) . . ?
O00X S00F C02K 97.9(16) . . ?
O00Y S00F C02K 103.0(16) . . ?
O01W S00F O00X 116.5(17) . . ?
O01W S00F O00Y 114.3(15) . . ?
O01W S00F C02K 106(2) . . ?
O00T S00G O01M 117.0(13) . . ?
O00T S00G C01O 101.3(14) . . ?
O00T S00G O024 113.9(16) . . ?
O01M S00G C01O 104.5(16) . . ?
O01M S00G O024 115.5(18) . . ?
O024 S00G C01O 101.6(15) . . ?
O00M S00H O015 114.4(14) . . ?
O00M S00H O026 110.5(16) . . ?
O00M S00H C58 109.5(17) . . ?
O015 S00H O026 109.5(19) . . ?
O015 S00H C58 109.0(17) . . ?
O026 S00H C58 103.4(18) . . ?
O01Y S00I O02L 113(2) . . ?
O01Y S00I C73 105(3) . . ?
O020 S00I O01Y 119(2) . . ?
O020 S00I O02L 110(2) . . ?
O020 S00I C73 102(3) . . ?
O02L S00I C73 106(4) . . ?
O00S S00J O43 114(2) . . ?
O00S S00J C59 106(2) . . ?
O01J S00J O00S 121.9(19) . . ?
O01J S00J O43 109(3) . . ?
O01J S00J C59 113(2) . . ?
O43 S00J C59 88(4) . . ?
S00E O00O Ag01 124.5(9) . . ?
C01I N00P C010 124.5(18) . . ?
Ag0A C00Q Ag06 76.2(4) . . ?
C01B C00Q Ag06 109.8(7) . . ?
C01B C00Q Ag0A 118.1(7) . . ?
C01B C00Q C029 120.0 . . ?
C029 C00Q Ag06 111.8(7) . . ?
C029 C00Q Ag0A 112.5(7) . . ?
Ag02 C01B Ag03 77.0(3) . . ?
C00Q C01B Ag02 119.7(7) . . ?
C00Q C01B Ag03 111.4(7) . . ?
C00Q C01B C025 120.0 . . ?
C025 C01B Ag02 105.7(7) . . ?
C025 C01B Ag03 115.5(7) . . ?
C02G C025 C01B 120.0 . . ?
C025 C02G N01F 120.0 . . ?
C025 C02G C02R 123.8(13) . . ?
N01F C02G C02R 116.1(13) . . ?
C029 N01F C02G 120.0 . . ?
N01F C029 C00Q 120.0 . . ?
C01L N00R C01S 125.7(17) . . ?
S00J O00S Ag09 120.2(13) . . ?
S00G O00T Ag0D 130.2(11) . . ?
C018 N00V C02E 126(3) . . ?
S00F O00X Ag04 124.8(9) . . ?
C01H N00Z C02A 120.7(19) . . ?
N00P C010 C01C 118(2) . . ?
Ag0A C012 Ag09 73.5(9) . . ?
C01P C012 Ag09 109.6(16) . . ?
C01P C012 Ag0A 118(2) . . ?
C01P C012 C028 121(3) . . ?
C028 C012 Ag09 110.6(17) . . ?
C028 C012 Ag0A 114(2) . . ?
Ag02 C013 Ag01 75.0(6) . . ?
C01C C013 Ag01 111.0(18) . . ?
C01C C013 Ag02 112.4(13) . . ?
C01C C013 C01G 116.6(19) . . ?
C01G C013 Ag01 110.9(14) . . ?
C01G C013 Ag02 123(2) . . ?
Ag04 C016 Ag05 77.3(9) . . ?
C018 C016 Ag04 111.5(16) . . ?
C018 C016 Ag05 113.7(16) . . ?
C018 C016 C02B 117(3) . . ?
C02B C016 Ag04 116.5(17) . . ?
C02B C016 Ag05 114.9(16) . . ?
Ag0C C017 Ag06 80.1(6) . . ?
C01K C017 Ag06 114.3(14) . . ?
C01K C017 Ag0C 117.3(16) . . ?
C01K C017 C027 116.2(19) . . ?
C027 C017 Ag06 108(2) . . ?
C027 C017 Ag0C 115.4(17) . . ?
N00V C018 C016 120(2) . . ?
Ag04 C019 Ag01 75.6(5) . . ?
C01L C019 Ag01 109.4(12) . . ?
C01L C019 Ag04 117.8(17) . . ?
C023 C019 Ag01 114.7(15) . . ?
C023 C019 Ag04 115.9(14) . . ?
C023 C019 C01L 116.4(17) . . ?
Ag0C C01C Ag05 77.6(8) . . ?
C010 C01C Ag05 105.9(17) . . ?
C010 C01C Ag0C 113.2(15) . . ?
C013 C01C Ag05 114.8(14) . . ?
C013 C01C Ag0C 116.8(14) . . ?
C013 C01C C010 120(2) . . ?
C01I C01G C013 121(2) . . ?
N00Z C01H C028 125(2) . . ?
N00P C01I C01G 120(2) . . ?
N00P C01I C02D 117(2) . . ?
C01G C01I C02D 123(3) . . ?
Ag0D C01K Ag09 75.5(6) . . ?
C017 C01K Ag09 106.9(14) . . ?
C017 C01K Ag0D 114.0(14) . . ?
C02C C01K Ag09 115.2(17) . . ?
C02C C01K Ag0D 116.4(19) . . ?
C02C C01K C017 120.0(19) . . ?
N00R C01L C019 120.1(17) . . ?
S00G O01M Ag05 128.5(13) . . ?
F00N C01O S00G 109(2) . . ?
F00N C01O F011 107(3) . . ?
F00N C01O F01N 114(3) . . ?
F011 C01O S00G 110(2) . . ?
F01N C01O S00G 109(2) . . ?
F01N C01O F011 108(3) . . ?
C012 C01P C02A 119(2) . . ?
N00R C01S C01Q 118(2) . . ?
N00R C01S C022 118(2) . . ?
C022 C01S C01Q 124(2) . . ?
C027 N01X C02X 124(2) . . ?
S00I O01Y Ag02 139.0(13) . . ?
C01S C022 C023 121(2) . . ?
Ag07 C023 Ag03 78.0(6) . . ?
C019 C023 Ag03 108.2(14) . . ?
C019 C023 Ag07 115.0(16) . . ?
C019 C023 C022 118.6(17) . . ?
C022 C023 Ag03 115.3(17) . . ?
C022 C023 Ag07 114.8(14) . . ?
N01X C027 C017 121(3) . . ?
Ag07 C028 Ag0B 79.2(7) . . ?
C012 C028 Ag07 115(2) . . ?
C012 C028 Ag0B 113.0(19) . . ?
C01H C028 Ag07 119.9(19) . . ?
C01H C028 Ag0B 107(2) . . ?
C01H C028 C012 116(2) . . ?
N00Z C02A C01P 117.2(19) . . ?
N00Z C02A C02O 118(2) . . ?
C01P C02A C02O 124(2) . . ?
Ag0B C02B Ag0D 74.7(9) . . ?
C016 C02B Ag0B 111(2) . . ?
C016 C02B Ag0D 111.1(17) . . ?
C02F C02B Ag0B 120.9(16) . . ?
C02F C02B Ag0D 112.9(17) . . ?
C02F C02B C016 118(2) . . ?
C01K C02C C02X 123(2) . . ?
N00V C02E C35 116(3) . . ?
C02F C02E N00V 117(4) . . ?
C02F C02E C35 127(4) . . ?
C02E C02F C02B 122(3) . . ?
F01D C02K S00F 102(3) . . ?
F01R C02K S00F 115(3) . . ?
F01R C02K F01D 111(4) . . ?
F01R C02K F02J 111(5) . . ?
F02J C02K S00F 108(3) . . ?
F02J C02K F01D 110(3) . . ?
F01A C02S S00E 113(3) . . ?
F01A C02S F01E 106(4) . . ?
F01E C02S S00E 105(2) . . ?
F01Z C02S S00E 115(4) . . ?
F01Z C02S F01A 115(3) . . ?
F01Z C02S F01E 101(4) . . ?
N01X C02X C02C 116(2) . . ?
N01X C02X C0AA 116(3) . . ?
C02C C02X C0AA 127(3) . . ?
F014 C58 S00H 108(3) . . ?
F014 C58 F021 104(3) . . ?
F01U C58 S00H 112(3) . . ?
F01U C58 F014 110(3) . . ?
F01U C58 F021 110(3) . . ?
F021 C58 S00H 112(3) . . ?
F01T C59 S00J 120(4) . . ?
F01T C59 F02M 104(4) . . ?
F01T C59 F02V 117(6) . . ?
F02M C59 S00J 114(4) . . ?
F02M C59 F02V 113(5) . . ?
F02V C59 S00J 89(3) . . ?
F32 C73 S00I 114(6) . . ?
F32 C73 F42 106(7) . . ?
F47 C73 S00I 121(6) . . ?
F47 C73 F32 109(5) . . ?
F47 C73 F42 96(6) . . ?
F42 C73 S00I 109(4) . . ?
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 2.701(2) . ?
Ag01 Ag03 3.0782(18) . ?
Ag01 Ag04 2.718(2) . ?
Ag01 Ag05 3.164(2) . ?
Ag01 Ag08 3.1670(19) . ?
Ag01 O00O 2.573(15) . ?
Ag01 C013 2.28(2) . ?
Ag01 C019 2.287(16) . ?
Ag02 Ag03 2.763(2) . ?
Ag02 Ag06 3.2530(19) . ?
Ag02 Ag08 2.986(2) . ?
Ag02 Ag0C 3.196(2) . ?
Ag02 C01B 2.203(12) . ?
Ag02 C013 2.15(2) . ?
Ag02 O01Y 2.49(2) . ?
Ag03 Ag07 2.780(2) . ?
Ag03 Ag08 2.897(2) . ?
Ag03 Ag0A 3.2560(19) . ?
Ag03 C01B 2.235(11) . ?
Ag03 C023 2.24(2) . ?
Ag04 Ag05 2.736(2) . ?
Ag04 Ag07 3.281(2) . ?
Ag04 Ag08 2.9470(19) . ?
Ag04 Ag0B 3.2230(19) . ?
Ag04 O00X 2.509(19) . ?
Ag04 C016 2.17(3) . ?
Ag04 C019 2.14(2) . ?
Ag05 Ag08 2.929(2) . ?
Ag05 Ag0C 2.796(2) . ?
Ag05 Ag0D 3.204(2) . ?
Ag05 C016 2.21(3) . ?
Ag05 C01C 2.29(2) . ?
Ag05 O01M 2.58(2) . ?
Ag06 Ag08 2.930(2) . ?
Ag06 Ag09 3.022(2) . ?
Ag06 Ag0A 2.758(2) . ?
Ag06 Ag0C 2.817(2) . ?
Ag06 C00Q 2.256(14) . ?
Ag06 C017 2.24(3) . ?
Ag07 Ag08 2.8852(19) . ?
Ag07 Ag0A 3.218(2) . ?
Ag07 Ag0B 2.825(3) . ?
Ag07 C023 2.18(2) . ?
Ag07 C028 2.18(2) . ?
Ag08 Ag09 3.0621(19) . ?
Ag08 Ag0A 3.025(2) . ?
Ag08 Ag0B 2.915(2) . ?
Ag08 Ag0C 2.863(2) . ?
Ag08 Ag0D 3.038(2) . ?
Ag09 Ag0A 2.716(3) . ?
Ag09 Ag0B 3.089(2) . ?
Ag09 Ag0D 2.737(3) . ?
Ag09 O00S 2.584(19) . ?
Ag09 C012 2.32(2) . ?
Ag09 C01K 2.268(19) . ?
Ag0A C00Q 2.214(13) . ?
Ag0A C012 2.22(4) . ?
Ag0B Ag0D 2.716(2) . ?
Ag0B C028 2.25(3) . ?
Ag0B C02B 2.20(3) . ?
Ag0C Ag0D 3.322(2) . ?
Ag0C C017 2.13(2) . ?
Ag0C C01C 2.17(2) . ?
Ag0D O00T 2.47(2) . ?
Ag0D C01K 2.20(2) . ?
Ag0D C02B 2.28(2) . ?
S00E O00L 1.396(18) . ?
S00E O00O 1.440(18) . ?
S00E O00U 1.41(2) . ?
S00E C02S 1.80(3) . ?
S00F O00X 1.43(2) . ?
S00F O00Y 1.462(19) . ?
S00F O01W 1.38(2) . ?
S00F C02K 1.94(4) . ?
S00G O00T 1.40(2) . ?
S00G O01M 1.43(2) . ?
S00G C01O 1.86(3) . ?
S00G O024 1.43(2) . ?
S00H O00M 1.39(2) . ?
S00H O015 1.43(2) . ?
S00H O026 1.50(3) . ?
S00H C58 1.70(4) . ?
S00I O01Y 1.39(2) . ?
S00I O020 1.38(3) . ?
S00I O02L 1.40(4) . ?
S00I C73 1.66(6) . ?
S00J O00S 1.42(2) . ?
S00J O01J 1.29(3) . ?
S00J O43 1.64(4) . ?
S00J C59 1.69(4) . ?
F00N C01O 1.29(3) . ?
N00P C010 1.33(3) . ?
N00P C01I 1.32(3) . ?
C00Q C01B 1.3900 . ?
C00Q C029 1.3900 . ?
C01B C025 1.3900 . ?
C025 C02G 1.3900 . ?
C02G N01F 1.3900 . ?
C02G C02R 1.51(3) . ?
N01F C029 1.3900 . ?
N00R C01L 1.33(3) . ?
N00R C01S 1.33(3) . ?
N00V C018 1.33(4) . ?
N00V C02E 1.37(5) . ?
N00Z C01H 1.32(3) . ?
N00Z C02A 1.38(3) . ?
C010 C01C 1.46(2) . ?
F011 C01O 1.34(3) . ?
C012 C01P 1.38(4) . ?
C012 C028 1.39(4) . ?
C013 C01C 1.39(4) . ?
C013 C01G 1.43(3) . ?
F014 C58 1.39(4) . ?
C016 C018 1.39(3) . ?
C016 C02B 1.45(3) . ?
C017 C01K 1.44(3) . ?
C017 C027 1.45(3) . ?
C019 C01L 1.44(2) . ?
C019 C023 1.42(3) . ?
F01A C02S 1.28(5) . ?
F01D C02K 1.39(5) . ?
F01E C02S 1.43(5) . ?
C01G C01I 1.39(3) . ?
C01H C028 1.36(4) . ?
C01I C02D 1.49(3) . ?
C01K C02C 1.35(3) . ?
F01N C01O 1.33(4) . ?
C01P C02A 1.43(4) . ?
C01Q C01S 1.43(3) . ?
F01R C02K 1.13(4) . ?
C01S C022 1.37(3) . ?
F01T C59 1.33(5) . ?
F01U C58 1.32(4) . ?
N01X C027 1.33(4) . ?
N01X C02X 1.38(4) . ?
F01Z C02S 1.19(5) . ?
F021 C58 1.41(4) . ?
C022 C023 1.45(3) . ?
C02A C02O 1.48(3) . ?
C02B C02F 1.44(4) . ?
C02C C02X 1.42(3) . ?
C02E C02F 1.31(4) . ?
C02E C35 1.49(5) . ?
F02J C02K 1.38(6) . ?
F02M C59 1.35(6) . ?
F02V C59 1.54(8) . ?
C02X C0AA 1.52(4) . ?
F32 C73 1.34(8) . ?
F47 C73 1.30(9) . ?
C73 F42 1.44(8) . ?
