#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:32:15 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178786 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/40/4104013.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_4104013
loop_
_publ_author_name
'Shu-Dan Bian'
'Jian-Hua Jia'
'Quan-Ming Wang'
_publ_section_title
;
 High-Nuclearity Silver Clusters Templated by Carbonates Generated from
 Atmospheric Carbon Dioxide Fixation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3422
_journal_page_last               3423
_journal_paper_doi               10.1021/ja8087696
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C86 H126 Ag17 F3 O6 S'
_chemical_formula_weight         3178.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.159(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.8153(5)
_cell_length_b                   26.2742(7)
_cell_length_c                   14.8383(6)
_cell_measurement_temperature    173(2)
_cell_volume                     5117.8(3)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.860
_diffrn_measurement_device_type  'Oxford Gemini S Ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0961
_diffrn_reflns_av_sigmaI/netI    0.2880
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            31617
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.86
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    3.238
_exptl_absorpt_correction_T_max  0.8294
_exptl_absorpt_correction_T_min  0.5103
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3064
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.067
_refine_diff_density_min         -0.884
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.682
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         14144
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      0.701
_refine_ls_R_factor_all          0.2079
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0217P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0648
_refine_ls_wR_factor_ref         0.0817
_reflns_number_gt                4178
_reflns_number_total             14144
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8087696_si_002_1.cif
_cod_data_source_block           1
_cod_database_code               4104013
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.29648(6) 0.2500 0.35496(7) 0.0416(2) Uani 1 2 d S
Ag2 Ag 0.45353(4) 0.31618(2) 0.47456(5) 0.04418(18) Uani 1 1 d .
Ag3 Ag 0.36961(5) 0.31582(2) 0.22809(5) 0.0519(2) Uani 1 1 d .
Ag4 Ag 0.50936(5) 0.38812(3) 0.35211(5) 0.0654(2) Uani 1 1 d .
Ag5 Ag 0.62724(6) 0.2500 0.58157(6) 0.0340(2) Uani 1 2 d S
Ag6 Ag 0.47762(6) 0.2500 0.12460(7) 0.0418(2) Uani 1 2 d S
Ag7 Ag 0.70129(5) 0.34988(3) 0.47944(5) 0.0584(2) Uani 1 1 d .
Ag8 Ag 0.61630(5) 0.34865(3) 0.22238(5) 0.0604(2) Uani 1 1 d .
Ag9 Ag 0.85889(8) 0.2500 0.49023(8) 0.0652(3) Uani 1 2 d S
Ag10 Ag 0.76959(10) 0.2500 0.21229(9) 0.0800(4) Uani 1 2 d S
Ag11 Ag 0.83086(5) 0.33266(2) 0.35223(5) 0.0528(2) Uani 1 1 d .
C1 C 0.6056(11) 0.2500 0.3502(11) 0.163(5) Uani 1 2 d SDU
O1 O 0.6781(9) 0.2500 0.4206(9) 0.182(5) Uani 1 2 d SDU
O2 O 0.6310(10) 0.2500 0.2793(10) 0.193(5) Uani 1 2 d SDU
O3 O 0.5192(8) 0.2500 0.3468(7) 0.150(5) Uani 1 2 d SDU
S1 S -0.0051(4) 0.4749(2) -0.0501(4) 0.0855(15) Uani 0.50 1 d P
O4 O 0.0590(6) 0.4944(3) -0.0915(6) 0.151(4) Uani 0.50 1 d P
O5 O 0.0248(6) 0.4325(3) -0.0025(8) 0.164(4) Uani 0.50 1 d P
O6 O -0.1036(4) 0.4766(2) -0.1041(5) 0.096(2) Uani 0.50 1 d P
C2 C -0.0051(4) 0.4749(2) -0.0501(4) 0.0855(15) Uani 0.50 1 d P
F1 F 0.0590(6) 0.4944(3) -0.0915(6) 0.151(4) Uani 0.50 1 d P
F2 F 0.0248(6) 0.4325(3) -0.0025(8) 0.164(4) Uani 0.50 1 d P
F3 F -0.1036(4) 0.4766(2) -0.1041(5) 0.096(2) Uani 0.50 1 d P
C11 C 0.3486(8) 0.2500 0.5024(9) 0.041(3) Uani 1 2 d SD
C12 C 0.3641(9) 0.2500 0.5886(10) 0.045(3) Uani 1 2 d SD
C13 C 0.3694(11) 0.2500 0.6873(10) 0.063(4) Uani 1 2 d SD
C14 C 0.4771(13) 0.2500 0.7506(13) 0.194(12) Uani 1 2 d S
H14A H 0.5113 0.2798 0.7385 0.291 Uiso 1 1 d R
H14B H 0.4781 0.2500 0.8154 0.291 Uiso 1 2 d SR
C15 C 0.3234(13) 0.2956(6) 0.7109(10) 0.301(14) Uani 1 1 d .
H15A H 0.2520 0.2976 0.6711 0.452 Uiso 1 1 calc R
H15B H 0.3602 0.3256 0.6997 0.452 Uiso 1 1 calc R
H15C H 0.3267 0.2944 0.7778 0.452 Uiso 1 1 calc R
C21 C 0.2499(7) 0.2500 0.2096(9) 0.037(3) Uani 1 2 d S
C22 C 0.2107(8) 0.2500 0.1230(10) 0.038(3) Uani 1 2 d S
C23 C 0.1544(12) 0.2500 0.0230(12) 0.090(5) Uani 1 2 d SU
C24 C 0.2126(12) 0.2500 -0.0443(11) 0.130(6) Uani 1 2 d SU
H24A H 0.2548 0.2798 -0.0327 0.195 Uiso 1 1 d R
H24C H 0.1693 0.2500 -0.1090 0.195 Uiso 1 2 d SR
C25 C 0.0838(11) 0.2945(5) -0.0064(12) 0.242(8) Uani 1 1 d U
H25A H 0.1230 0.3262 0.0084 0.362 Uiso 1 1 calc R
H25B H 0.0336 0.2937 0.0279 0.362 Uiso 1 1 calc R
H25C H 0.0485 0.2928 -0.0748 0.362 Uiso 1 1 calc R
C31 C 0.3641(6) 0.3737(3) 0.3525(6) 0.054(3) Uani 1 1 d .
C32 C 0.2747(8) 0.3776(3) 0.3431(6) 0.051(3) Uani 1 1 d .
C33 C 0.1636(7) 0.3868(3) 0.3328(8) 0.067(3) Uani 1 1 d .
C34 C 0.1426(7) 0.4431(3) 0.3272(9) 0.123(5) Uani 1 1 d .
H34A H 0.1556 0.4571 0.2709 0.185 Uiso 1 1 calc R
H34B H 0.1871 0.4597 0.3841 0.185 Uiso 1 1 calc R
H34C H 0.0712 0.4490 0.3230 0.185 Uiso 1 1 calc R
C35 C 0.1433(8) 0.3649(4) 0.4192(9) 0.110(4) Uani 1 1 d .
H35A H 0.1560 0.3281 0.4221 0.165 Uiso 1 1 calc R
H35B H 0.0722 0.3712 0.4153 0.165 Uiso 1 1 calc R
H35C H 0.1884 0.3811 0.4764 0.165 Uiso 1 1 calc R
C36 C 0.0982(7) 0.3617(4) 0.2450(9) 0.129(5) Uani 1 1 d .
H36A H 0.1124 0.3764 0.1897 0.194 Uiso 1 1 calc R
H36B H 0.0263 0.3671 0.2394 0.194 Uiso 1 1 calc R
H36C H 0.1128 0.3251 0.2481 0.194 Uiso 1 1 calc R
C41 C 0.6175(5) 0.3292(3) 0.5892(5) 0.035(2) Uani 1 1 d .
C42 C 0.6050(5) 0.3729(3) 0.6047(5) 0.037(2) Uani 1 1 d .
C43 C 0.5897(7) 0.4258(3) 0.6366(7) 0.054(2) Uani 1 1 d U
C44 C 0.6284(8) 0.4636(3) 0.5804(8) 0.100(4) Uani 1 1 d U
H44A H 0.5885 0.4609 0.5132 0.151 Uiso 1 1 calc R
H44B H 0.7002 0.4566 0.5881 0.151 Uiso 1 1 calc R
H44C H 0.6217 0.4981 0.6030 0.151 Uiso 1 1 calc R
C45 C 0.4823(8) 0.4367(3) 0.6186(9) 0.116(4) Uani 1 1 d U
H45A H 0.4543 0.4134 0.6556 0.174 Uiso 1 1 calc R
H45B H 0.4460 0.4323 0.5509 0.174 Uiso 1 1 calc R
H45C H 0.4743 0.4719 0.6370 0.174 Uiso 1 1 calc R
C46 C 0.6529(9) 0.4319(3) 0.7422(8) 0.119(4) Uani 1 1 d U
H46A H 0.6283 0.4078 0.7806 0.178 Uiso 1 1 calc R
H46B H 0.6456 0.4668 0.7629 0.178 Uiso 1 1 calc R
H46C H 0.7248 0.4251 0.7502 0.178 Uiso 1 1 calc R
C51 C 0.4590(6) 0.3296(3) 0.1157(6) 0.042(2) Uani 1 1 d .
C52 C 0.4285(6) 0.3714(3) 0.0984(6) 0.039(2) Uani 1 1 d .
C53 C 0.3862(7) 0.4230(3) 0.0648(7) 0.062(3) Uani 1 1 d U
C54 C 0.4651(7) 0.4632(3) 0.1077(7) 0.082(3) Uani 1 1 d U
H54A H 0.5245 0.4580 0.0861 0.123 Uiso 1 1 calc R
H54B H 0.4859 0.4607 0.1770 0.123 Uiso 1 1 calc R
H54C H 0.4361 0.4970 0.0879 0.123 Uiso 1 1 calc R
C55 C 0.2949(7) 0.4339(3) 0.0984(8) 0.104(4) Uani 1 1 d U
H55A H 0.2413 0.4088 0.0710 0.155 Uiso 1 1 calc R
H55B H 0.2689 0.4682 0.0780 0.155 Uiso 1 1 calc R
H55C H 0.3156 0.4319 0.1677 0.155 Uiso 1 1 calc R
C56 C 0.3597(9) 0.4248(3) -0.0417(8) 0.130(4) Uani 1 1 d U
H56A H 0.4209 0.4179 -0.0598 0.194 Uiso 1 1 calc R
H56B H 0.3334 0.4586 -0.0645 0.194 Uiso 1 1 calc R
H56C H 0.3077 0.3991 -0.0700 0.194 Uiso 1 1 calc R
C61 C 0.6525(7) 0.4107(3) 0.3509(6) 0.068(3) Uani 1 1 d .
C62 C 0.7160(6) 0.4412(3) 0.3457(6) 0.046(2) Uani 1 1 d .
C63 C 0.7894(7) 0.4805(3) 0.3394(8) 0.057(3) Uani 1 1 d U
C64 C 0.7453(8) 0.5301(4) 0.3313(11) 0.153(5) Uani 1 1 d U
H64A H 0.7231 0.5369 0.3867 0.229 Uiso 1 1 calc R
H64B H 0.6865 0.5319 0.2736 0.229 Uiso 1 1 calc R
H64C H 0.7960 0.5555 0.3279 0.229 Uiso 1 1 calc R
C65 C 0.8820(8) 0.4756(4) 0.4235(10) 0.158(6) Uani 1 1 d U
H65A H 0.8640 0.4819 0.4814 0.237 Uiso 1 1 calc R
H65B H 0.9332 0.5005 0.4189 0.237 Uiso 1 1 calc R
H65C H 0.9099 0.4412 0.4257 0.237 Uiso 1 1 calc R
C66 C 0.8263(10) 0.4710(4) 0.2573(9) 0.135(5) Uani 1 1 d U
H66A H 0.7694 0.4740 0.1984 0.202 Uiso 1 1 calc R
H66B H 0.8552 0.4367 0.2620 0.202 Uiso 1 1 calc R
H66C H 0.8789 0.4960 0.2572 0.202 Uiso 1 1 calc R
C71 C 0.8799(6) 0.3326(3) 0.4991(6) 0.044(2) Uani 1 1 d .
C72 C 0.9114(5) 0.3426(2) 0.5835(7) 0.035(2) Uani 1 1 d .
C73 C 0.9561(6) 0.3595(3) 0.6814(6) 0.046(2) Uani 1 1 d .
C74 C 0.9009(6) 0.3367(3) 0.7471(6) 0.067(3) Uani 1 1 d .
H74A H 0.8289 0.3465 0.7245 0.100 Uiso 1 1 calc R
H74B H 0.9320 0.3495 0.8117 0.100 Uiso 1 1 calc R
H74C H 0.9065 0.2995 0.7470 0.100 Uiso 1 1 calc R
C75 C 0.9495(7) 0.4164(3) 0.6843(7) 0.087(3) Uani 1 1 d .
H75A H 0.8778 0.4268 0.6620 0.130 Uiso 1 1 calc R
H75B H 0.9855 0.4314 0.6434 0.130 Uiso 1 1 calc R
H75C H 0.9807 0.4283 0.7496 0.130 Uiso 1 1 calc R
C76 C 1.0682(6) 0.3435(4) 0.7182(7) 0.093(4) Uani 1 1 d .
H76A H 1.0730 0.3063 0.7177 0.139 Uiso 1 1 calc R
H76B H 1.0985 0.3561 0.7831 0.139 Uiso 1 1 calc R
H76C H 1.1048 0.3580 0.6772 0.139 Uiso 1 1 calc R
C81 C 0.7834(7) 0.3323(3) 0.2068(7) 0.054(3) Uani 1 1 d .
C82 C 0.7596(6) 0.3412(3) 0.1207(7) 0.040(2) Uani 1 1 d .
C83 C 0.7361(7) 0.3558(3) 0.0188(6) 0.052(2) Uani 1 1 d .
C84 C 0.6386(8) 0.3328(4) -0.0403(8) 0.106(4) Uani 1 1 d .
H84A H 0.6439 0.2956 -0.0365 0.159 Uiso 1 1 calc R
H84B H 0.6244 0.3436 -0.1063 0.159 Uiso 1 1 calc R
H84C H 0.5831 0.3440 -0.0168 0.159 Uiso 1 1 calc R
C85 C 0.7266(8) 0.4138(3) 0.0122(7) 0.088(4) Uani 1 1 d .
H85A H 0.7904 0.4293 0.0511 0.131 Uiso 1 1 calc R
H85B H 0.6707 0.4248 0.0351 0.131 Uiso 1 1 calc R
H85C H 0.7126 0.4244 -0.0540 0.131 Uiso 1 1 calc R
C86 C 0.8227(8) 0.3397(4) -0.0138(8) 0.125(5) Uani 1 1 d .
H86A H 0.8296 0.3026 -0.0093 0.187 Uiso 1 1 calc R
H86B H 0.8856 0.3556 0.0262 0.187 Uiso 1 1 calc R
H86C H 0.8099 0.3503 -0.0798 0.187 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C21 Ag1 C11 178.2(4) . .
C21 Ag1 Ag2 124.85(19) . .
C11 Ag1 Ag2 53.9(2) . .
C21 Ag1 Ag2 124.85(19) . 4_565
C11 Ag1 Ag2 53.9(2) . 4_565
Ag2 Ag1 Ag2 73.32(3) . 4_565
C21 Ag1 Ag3 52.24(19) . 4_565
C11 Ag1 Ag3 126.5(2) . 4_565
Ag2 Ag1 Ag3 113.57(3) . 4_565
Ag2 Ag1 Ag3 72.62(2) 4_565 4_565
C21 Ag1 Ag3 52.24(19) . .
C11 Ag1 Ag3 126.5(2) . .
Ag2 Ag1 Ag3 72.62(2) . .
Ag2 Ag1 Ag3 113.57(3) 4_565 .
Ag3 Ag1 Ag3 71.60(3) 4_565 .
C11 Ag2 C31 113.3(3) . .
C11 Ag2 C41 118.2(3) . .
C31 Ag2 C41 126.9(3) . .
C11 Ag2 Ag4 152.1(3) . .
C31 Ag2 Ag4 44.3(2) . .
C41 Ag2 Ag4 88.55(17) . .
C11 Ag2 Ag1 44.9(3) . .
C31 Ag2 Ag1 78.73(19) . .
C41 Ag2 Ag1 151.39(17) . .
Ag4 Ag2 Ag1 107.56(3) . .
C11 Ag2 Ag5 85.1(2) . .
C31 Ag2 Ag5 155.7(2) . .
C41 Ag2 Ag5 44.00(17) . .
Ag4 Ag2 Ag5 112.79(3) . .
Ag1 Ag2 Ag5 107.39(2) . .
C21 Ag3 C51 121.9(3) . .
C21 Ag3 C31 111.4(3) . .
C51 Ag3 C31 125.8(3) . .
C21 Ag3 Ag4 148.9(3) . .
C51 Ag3 Ag4 87.53(17) . .
C31 Ag3 Ag4 43.8(2) . .
C21 Ag3 Ag1 43.6(3) . .
C51 Ag3 Ag1 152.33(18) . .
C31 Ag3 Ag1 77.5(2) . .
Ag4 Ag3 Ag1 105.64(3) . .
C21 Ag3 Ag6 87.7(2) . .
C51 Ag3 Ag6 44.21(18) . .
C31 Ag3 Ag6 153.5(2) . .
Ag4 Ag3 Ag6 111.18(3) . .
Ag1 Ag3 Ag6 108.17(2) . .
C31 Ag4 C61 174.0(4) . .
C31 Ag4 Ag2 54.7(2) . .
C61 Ag4 Ag2 129.5(3) . .
C31 Ag4 Ag7 129.1(2) . .
C61 Ag4 Ag7 54.9(3) . .
Ag2 Ag4 Ag7 74.57(2) . .
C31 Ag4 Ag3 54.8(2) . .
C61 Ag4 Ag3 128.8(2) . .
Ag2 Ag4 Ag3 73.54(2) . .
Ag7 Ag4 Ag3 118.31(3) . .
C31 Ag4 Ag8 128.8(2) . .
C61 Ag4 Ag8 54.7(2) . .
Ag2 Ag4 Ag8 117.76(3) . .
Ag7 Ag4 Ag8 76.28(3) . .
Ag3 Ag4 Ag8 74.19(3) . .
C41 Ag5 C41 168.9(4) . 4_565
C41 Ag5 Ag2 123.61(19) . 4_565
C41 Ag5 Ag2 52.78(19) 4_565 4_565
C41 Ag5 Ag2 52.78(19) . .
C41 Ag5 Ag2 123.61(19) 4_565 .
Ag2 Ag5 Ag2 71.16(3) 4_565 .
C41 Ag5 Ag7 147.1(2) . 4_565
C41 Ag5 Ag7 43.8(2) 4_565 4_565
Ag2 Ag5 Ag7 67.123(19) 4_565 4_565
Ag2 Ag5 Ag7 121.60(3) . 4_565
C41 Ag5 Ag7 43.8(2) . .
C41 Ag5 Ag7 147.1(2) 4_565 .
Ag2 Ag5 Ag7 121.60(3) 4_565 .
Ag2 Ag5 Ag7 67.123(19) . .
Ag7 Ag5 Ag7 103.31(3) 4_565 .
C51 Ag6 C51 166.4(4) . 4_565
C51 Ag6 O2 96.0(2) . .
C51 Ag6 O2 96.0(2) 4_565 .
C51 Ag6 Ag3 52.4(2) . .
C51 Ag6 Ag3 122.3(2) 4_565 .
O2 Ag6 Ag3 86.9(2) . .
C51 Ag6 Ag3 122.3(2) . 4_565
C51 Ag6 Ag3 52.4(2) 4_565 4_565
O2 Ag6 Ag3 86.9(2) . 4_565
Ag3 Ag6 Ag3 70.38(3) . 4_565
C51 Ag6 Ag8 44.4(2) . .
C51 Ag6 Ag8 148.8(2) 4_565 .
O2 Ag6 Ag8 53.49(6) . .
Ag3 Ag6 Ag8 68.49(2) . .
Ag3 Ag6 Ag8 122.96(3) 4_565 .
C51 Ag6 Ag8 148.8(2) . 4_565
C51 Ag6 Ag8 44.4(2) 4_565 4_565
O2 Ag6 Ag8 53.49(6) . 4_565
Ag3 Ag6 Ag8 122.96(3) . 4_565
Ag3 Ag6 Ag8 68.49(2) 4_565 4_565
Ag8 Ag6 Ag8 104.39(3) . 4_565
C41 Ag7 C61 128.8(3) . .
C41 Ag7 C71 125.2(3) . .
C61 Ag7 C71 103.9(3) . .
C41 Ag7 C42 26.56(19) . .
C61 Ag7 C42 108.8(3) . .
C71 Ag7 C42 131.6(3) . .
C41 Ag7 Ag4 89.08(18) . .
C61 Ag7 Ag4 44.5(2) . .
C71 Ag7 Ag4 145.6(2) . .
C42 Ag7 Ag4 79.82(16) . .
C41 Ag7 Ag11 157.15(18) . .
C61 Ag7 Ag11 71.3(2) . .
C71 Ag7 Ag11 43.1(2) . .
C42 Ag7 Ag11 172.79(16) . .
Ag4 Ag7 Ag11 104.11(3) . .
C41 Ag7 Ag5 38.21(18) . .
C61 Ag7 Ag5 145.7(2) . .
C71 Ag7 Ag5 103.92(18) . .
C42 Ag7 Ag5 64.78(17) . .
Ag4 Ag7 Ag5 102.67(2) . .
Ag11 Ag7 Ag5 119.42(3) . .
C51 Ag8 C81 128.0(3) . .
C51 Ag8 C61 126.9(3) . .
C81 Ag8 C61 102.9(3) . .
C51 Ag8 Ag4 88.15(19) . .
C81 Ag8 Ag4 143.8(2) . .
C61 Ag8 Ag4 43.8(2) . .
C51 Ag8 Ag11 159.09(19) . .
C81 Ag8 Ag11 42.5(2) . .
C61 Ag8 Ag11 70.9(2) . .
Ag4 Ag8 Ag11 102.93(3) . .
C51 Ag8 Ag6 39.69(18) . .
C81 Ag8 Ag6 105.04(19) . .
C61 Ag8 Ag6 145.4(2) . .
Ag4 Ag8 Ag6 102.92(3) . .
Ag11 Ag8 Ag6 119.62(3) . .
C51 Ag8 Ag10 105.79(19) . .
C81 Ag8 Ag10 39.91(18) . .
C61 Ag8 Ag10 124.7(2) . .
Ag4 Ag8 Ag10 138.17(3) . .
Ag11 Ag8 Ag10 54.37(3) . .
Ag6 Ag8 Ag10 70.25(3) . .
C71 Ag9 C71 165.3(4) . 4_565
C71 Ag9 O1 97.3(2) . .
C71 Ag9 O1 97.3(2) 4_565 .
C71 Ag9 Ag11 139.9(2) . 4_565
C71 Ag9 Ag11 45.0(2) 4_565 4_565
O1 Ag9 Ag11 78.8(2) . 4_565
C71 Ag9 Ag11 45.0(2) . .
C71 Ag9 Ag11 139.9(2) 4_565 .
O1 Ag9 Ag11 78.8(2) . .
Ag11 Ag9 Ag11 95.82(4) 4_565 .
C81 Ag10 C81 167.9(4) 4_565 .
C81 Ag10 O2 96.1(2) 4_565 .
C81 Ag10 O2 96.1(2) . .
C81 Ag10 Ag11 138.7(3) 4_565 .
C81 Ag10 Ag11 44.2(3) . .
O2 Ag10 Ag11 78.5(2) . .
C81 Ag10 Ag11 44.2(3) 4_565 4_565
C81 Ag10 Ag11 138.7(3) . 4_565
O2 Ag10 Ag11 78.5(2) . 4_565
Ag11 Ag10 Ag11 95.20(4) . 4_565
C81 Ag10 Ag8 45.8(2) 4_565 4_565
C81 Ag10 Ag8 145.9(2) . 4_565
O2 Ag10 Ag8 52.71(9) . 4_565
Ag11 Ag10 Ag8 125.56(4) . 4_565
Ag11 Ag10 Ag8 56.55(2) 4_565 4_565
C81 Ag10 Ag8 145.9(2) 4_565 .
C81 Ag10 Ag8 45.8(2) . .
O2 Ag10 Ag8 52.71(9) . .
Ag11 Ag10 Ag8 56.55(2) . .
Ag11 Ag10 Ag8 125.56(4) 4_565 .
Ag8 Ag10 Ag8 100.15(4) 4_565 .
C81 Ag11 C71 179.5(3) . .
C81 Ag11 Ag9 131.4(2) . .
C71 Ag11 Ag9 48.3(2) . .
C81 Ag11 Ag10 47.6(2) . .
C71 Ag11 Ag10 132.1(2) . .
Ag9 Ag11 Ag10 83.81(3) . .
C81 Ag11 Ag7 127.0(2) . .
C71 Ag11 Ag7 53.4(2) . .
Ag9 Ag11 Ag7 69.39(3) . .
Ag10 Ag11 Ag7 117.17(3) . .
C81 Ag11 Ag8 53.2(2) . .
C71 Ag11 Ag8 127.3(2) . .
Ag9 Ag11 Ag8 116.06(3) . .
Ag10 Ag11 Ag8 69.08(3) . .
Ag7 Ag11 Ag8 73.86(2) . .
O3 C1 O1 126.5(14) . .
O3 C1 O2 121.9(14) . .
O1 C1 O2 111.6(13) . .
C1 O1 Ag9 148.5(11) . .
C1 O2 Ag10 147.2(11) . .
C1 O2 Ag6 113.0(10) . .
Ag10 O2 Ag6 99.8(5) . .
O5 S1 O4 115.7(7) . .
O5 S1 O6 116.0(6) . .
O4 S1 O6 113.9(7) . .
O5 S1 C2 103.2(7) . 3_565
O4 S1 C2 101.0(5) . 3_565
O6 S1 C2 104.4(5) . 3_565
O5 S1 S1 103.2(7) . 3_565
O4 S1 S1 101.0(5) . 3_565
O6 S1 S1 104.4(5) . 3_565
C2 S1 S1 0.0(4) 3_565 3_565
C12 C11 Ag1 170.4(10) . .
C12 C11 Ag2 105.2(6) . 4_565
Ag1 C11 Ag2 81.2(4) . 4_565
C12 C11 Ag2 105.2(6) . .
Ag1 C11 Ag2 81.2(4) . .
Ag2 C11 Ag2 93.8(4) 4_565 .
C11 C12 C13 173.1(14) . .
C12 C13 C15 110.9(8) . .
C12 C13 C15 110.9(8) . 4_565
C15 C13 C15 111.5(17) . 4_565
C12 C13 C14 111.2(12) . .
C15 C13 C14 106.0(10) . .
C15 C13 C14 106.0(10) 4_565 .
C22 C21 Ag1 172.6(9) . .
C22 C21 Ag3 100.8(6) . .
Ag1 C21 Ag3 84.1(3) . .
C22 C21 Ag3 100.8(6) . 4_565
Ag1 C21 Ag3 84.1(3) . 4_565
Ag3 C21 Ag3 94.8(3) . 4_565
C21 C22 C23 174.0(12) . .
C22 C23 C24 117.8(14) . .
C22 C23 C25 113.1(11) . 4_565
C24 C23 C25 104.3(12) . 4_565
C22 C23 C25 113.1(11) . .
C24 C23 C25 104.3(12) . .
C25 C23 C25 102.6(16) 4_565 .
C32 C31 Ag4 163.2(8) . .
C32 C31 Ag2 114.3(7) . .
Ag4 C31 Ag2 81.0(3) . .
C32 C31 Ag3 104.0(6) . .
Ag4 C31 Ag3 81.4(3) . .
Ag2 C31 Ag3 92.8(3) . .
C31 C32 C33 175.6(8) . .
C36 C33 C34 109.4(9) . .
C36 C33 C35 110.6(9) . .
C34 C33 C35 109.7(9) . .
C36 C33 C32 109.7(8) . .
C34 C33 C32 109.6(7) . .
C35 C33 C32 107.7(9) . .
C42 C41 Ag5 169.5(7) . .
C42 C41 Ag7 92.4(5) . .
Ag5 C41 Ag7 98.0(3) . .
C42 C41 Ag2 96.5(6) . .
Ag5 C41 Ag2 83.2(2) . .
Ag7 C41 Ag2 95.9(3) . .
C41 C42 C43 172.7(8) . .
C41 C42 Ag7 61.0(5) . .
C43 C42 Ag7 125.3(5) . .
C45 C43 C44 106.7(8) . .
C45 C43 C42 111.1(7) . .
C44 C43 C42 109.1(7) . .
C45 C43 C46 112.8(8) . .
C44 C43 C46 108.0(8) . .
C42 C43 C46 109.0(7) . .
C52 C51 Ag6 165.8(7) . .
C52 C51 Ag8 98.3(6) . .
Ag6 C51 Ag8 95.9(3) . .
C52 C51 Ag3 93.8(6) . .
Ag6 C51 Ag3 83.4(3) . .
Ag8 C51 Ag3 97.8(3) . .
C51 C52 C53 173.6(9) . .
C52 C53 C56 108.6(8) . .
C52 C53 C54 109.7(7) . .
C56 C53 C54 109.1(8) . .
C52 C53 C55 109.8(7) . .
C56 C53 C55 112.5(9) . .
C54 C53 C55 107.1(8) . .
C62 C61 Ag4 154.9(8) . .
C62 C61 Ag7 117.3(7) . .
Ag4 C61 Ag7 80.6(3) . .
C62 C61 Ag8 111.7(7) . .
Ag4 C61 Ag8 81.5(3) . .
Ag7 C61 Ag8 96.6(3) . .
C61 C62 C63 176.9(9) . .
C64 C63 C62 111.2(8) . .
C64 C63 C66 109.4(10) . .
C62 C63 C66 110.8(8) . .
C64 C63 C65 112.5(10) . .
C62 C63 C65 108.4(8) . .
C66 C63 C65 104.4(9) . .
C72 C71 Ag11 167.3(7) . .
C72 C71 Ag9 105.9(6) . .
Ag11 C71 Ag9 86.8(3) . .
C72 C71 Ag7 96.2(5) . .
Ag11 C71 Ag7 83.5(3) . .
Ag9 C71 Ag7 93.9(3) . .
C71 C72 C73 173.0(8) . .
C72 C73 C75 108.8(7) . .
C72 C73 C76 109.8(7) . .
C75 C73 C76 109.1(7) . .
C72 C73 C74 111.9(7) . .
C75 C73 C74 108.9(7) . .
C76 C73 C74 108.4(7) . .
C82 C81 Ag11 168.5(7) . .
C82 C81 Ag10 103.2(6) . .
Ag11 C81 Ag10 88.2(3) . .
C82 C81 Ag8 96.3(6) . .
Ag11 C81 Ag8 84.3(3) . .
Ag10 C81 Ag8 94.3(3) . .
C81 C82 C83 175.3(9) . .
C86 C83 C84 111.4(9) . .
C86 C83 C82 108.3(7) . .
C84 C83 C82 111.2(8) . .
C86 C83 C85 109.0(8) . .
C84 C83 C85 108.8(8) . .
C82 C83 C85 108.0(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C21 2.050(12) .
Ag1 C11 2.080(13) .
Ag1 Ag2 2.9120(9) .
Ag1 Ag2 2.9120(9) 4_565
Ag1 Ag3 2.9564(10) 4_565
Ag1 Ag3 2.9564(10) .
Ag2 C11 2.381(7) .
Ag2 C31 2.387(9) .
Ag2 C41 2.396(7) .
Ag2 Ag4 2.8884(9) .
Ag2 Ag5 2.9881(9) .
Ag3 C21 2.349(7) .
Ag3 C51 2.392(8) .
Ag3 C31 2.411(9) .
Ag3 Ag4 2.9169(9) .
Ag3 Ag6 3.0006(10) .
Ag4 C31 2.044(9) .
Ag4 C61 2.070(9) .
Ag4 Ag7 2.9133(10) .
Ag4 Ag8 2.9558(11) .
Ag5 C41 2.090(7) .
Ag5 C41 2.090(7) 4_565
Ag5 Ag2 2.9881(9) 4_565
Ag5 Ag7 3.3461(8) 4_565
Ag5 Ag7 3.3461(8) .
Ag6 C51 2.106(7) .
Ag6 C51 2.106(7) 4_565
Ag6 O2 2.594(13) .
Ag6 Ag3 3.0006(10) 4_565
Ag6 Ag8 3.2805(9) .
Ag6 Ag8 3.2805(9) 4_565
Ag7 C41 2.338(7) .
Ag7 C61 2.418(9) .
Ag7 C71 2.436(8) .
Ag7 C42 2.670(8) .
Ag7 Ag11 3.0131(9) .
Ag8 C51 2.309(8) .
Ag8 C81 2.429(8) .
Ag8 C61 2.439(9) .
Ag8 Ag11 3.0192(10) .
Ag8 Ag10 3.3798(10) .
Ag9 C71 2.187(7) .
Ag9 C71 2.187(7) 4_565
Ag9 O1 2.387(13) .
Ag9 Ag11 2.9268(10) 4_565
Ag9 Ag11 2.9268(10) .
Ag10 C81 2.174(8) 4_565
Ag10 C81 2.174(8) .
Ag10 O2 2.416(13) .
Ag10 Ag11 2.9411(11) .
Ag10 Ag11 2.9411(11) 4_565
Ag10 Ag8 3.3798(10) 4_565
Ag11 C81 2.050(10) .
Ag11 C71 2.071(9) .
C1 O3 1.179(12) .
C1 O1 1.201(13) .
C1 O2 1.209(13) .
S1 O5 1.313(8) .
S1 O4 1.328(7) .
S1 O6 1.348(7) .
S1 C2 1.961(10) 3_565
S1 S1 1.961(10) 3_565
C11 C12 1.229(15) .
C11 Ag2 2.381(7) 4_565
C12 C13 1.444(17) .
C13 C15 1.449(13) .
C13 C15 1.449(13) 4_565
C13 C14 1.49(2) .
C21 C22 1.229(14) .
C21 Ag3 2.349(7) 4_565
C22 C23 1.444(17) .
C23 C24 1.464(19) .
C23 C25 1.499(13) 4_565
C23 C25 1.499(13) .
C31 C32 1.203(10) .
C32 C33 1.514(12) .
C33 C36 1.488(13) .
C33 C34 1.504(11) .
C33 C35 1.510(13) .
C41 C42 1.195(8) .
C42 C43 1.504(10) .
C43 C45 1.452(11) .
C43 C44 1.499(11) .
C43 C46 1.546(12) .
C51 C52 1.175(8) .
C52 C53 1.500(10) .
C53 C56 1.508(13) .
C53 C54 1.509(11) .
C53 C55 1.521(11) .
C61 C62 1.209(10) .
C62 C63 1.470(10) .
C63 C64 1.428(11) .
C63 C66 1.481(13) .
C63 C65 1.489(14) .
C71 C72 1.219(10) .
C72 C73 1.459(11) .
C73 C75 1.500(10) .
C73 C76 1.531(10) .
C73 C74 1.535(10) .
C81 C82 1.239(11) .
C82 C83 1.494(12) .
C83 C86 1.485(10) .
C83 C84 1.488(12) .
C83 C85 1.529(10) .
