#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/29/4502929.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_4502929
loop_
_publ_author_name
'Wan, Chong-Qing'
'Wang, Zi-Jia'
'Wang, Guo'
'Liu, Hao'
'Deng, Yu-Heng'
'Jin, Qiong-Hua'
_publ_section_title
;
 Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with
 Intramolecular N···C Interaction and Its
 Supramolecular Silver(I) Complexes
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              376
_journal_paper_doi               10.1021/cg201184x
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C54 H43 Ag6 F18 N24 O21.5 S12'
_chemical_formula_weight         2746.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.159(11)
_cell_angle_beta                 97.230(11)
_cell_angle_gamma                118.277(9)
_cell_formula_units_Z            2
_cell_length_a                   15.692(8)
_cell_length_b                   16.140(8)
_cell_length_c                   20.812(11)
_cell_measurement_temperature    293(2)
_cell_volume                     4576(4)
_computing_cell_refinement       'Bruker Smart ApexII'
_computing_data_collection       'Bruker Smart ApexII detector'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0625
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24896
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    1.647
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.788348
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.988
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       colorless
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.180
_refine_diff_density_min         -0.725
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1256
_refine_ls_number_reflns         16033
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0865
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0692P)²+6.0613P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1215
_refine_ls_wR_factor_ref         0.1510
_reflns_number_gt                10020
_reflns_number_total             16033
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg201184x_si_001.cif
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C54 H43 Ag6 F18 N24 O21.50 S12'
_cod_database_code               4502929
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.43573(4) 0.66247(4) 0.25849(3) 0.05312(16) Uani 1 1 d .
Ag2 Ag 0.16255(5) 0.73880(4) 0.13106(4) 0.0791(2) Uani 1 1 d .
Ag3 Ag 0.04148(4) 0.34637(4) 0.22842(3) 0.05050(15) Uani 1 1 d .
Ag4 Ag 0.32070(4) 0.26962(3) 0.34576(3) 0.05849(17) Uani 1 1 d .
Ag5 Ag -0.40959(4) 0.04450(4) 0.23170(3) 0.06334(18) Uani 1 1 d .
Ag6 Ag -0.11360(4) -0.02955(4) 0.26923(3) 0.05740(17) Uani 1 1 d .
S1 S 0.64458(13) 0.87274(12) 0.24217(8) 0.0469(4) Uani 1 1 d .
S2 S 0.38639(12) 0.83286(11) 0.20331(8) 0.0437(4) Uani 1 1 d .
S3 S 0.19739(11) 0.56850(11) 0.18865(8) 0.0421(4) Uani 1 1 d .
S4 S 0.28231(11) 0.44240(11) 0.29691(8) 0.0438(4) Uani 1 1 d .
S5 S -0.16647(13) 0.13978(12) 0.23980(9) 0.0504(4) Uani 1 1 d .
S6 S 0.09048(12) 0.17934(10) 0.28071(8) 0.0410(4) Uani 1 1 d .
N1 N 0.6034(4) 0.6946(4) 0.2539(3) 0.0498(14) Uani 1 1 d .
N2 N 0.7714(4) 0.8082(4) 0.2653(3) 0.0499(14) Uani 1 1 d .
N4 N 0.6344(4) 0.8526(4) 0.3689(3) 0.0495(14) Uani 1 1 d .
N3 N 0.6087(4) 0.9738(4) 0.3230(3) 0.0475(13) Uani 1 1 d .
N5 N 0.3832(4) 0.7546(4) 0.3108(3) 0.0454(13) Uani 1 1 d .
N7 N 0.4240(4) 1.0127(4) 0.2046(3) 0.0549(15) Uani 1 1 d .
N8 N 0.2603(4) 0.8940(4) 0.1641(3) 0.0528(15) Uani 1 1 d .
N9 N 0.3600(4) 0.5902(4) 0.1542(3) 0.0464(13) Uani 1 1 d .
N10 N 0.2175(4) 0.5048(4) 0.0731(3) 0.0562(15) Uani 1 1 d .
N11 N 0.0594(4) 0.5827(3) 0.1083(2) 0.0447(13) Uani 1 1 d .
N12 N 0.0221(4) 0.4281(3) 0.1333(3) 0.0460(13) Uani 1 1 d .
N13 N 0.4573(4) 0.5811(3) 0.3555(3) 0.0477(14) Uani 1 1 d .
N14 N 0.4183(4) 0.4251(3) 0.3776(2) 0.0417(12) Uani 1 1 d .
N15 N 0.2558(5) 0.4763(5) 0.4178(3) 0.0694(18) Uani 1 1 d .
N16 N 0.1169(4) 0.4104(4) 0.3336(3) 0.0472(13) Uani 1 1 d .
N17 N -0.1272(4) 0.3177(4) 0.2337(3) 0.0520(14) Uani 1 1 d .
N18 N -0.2950(4) 0.2046(4) 0.2288(3) 0.0574(16) Uani 1 1 d .
N19 N -0.1601(5) 0.1995(4) 0.3634(3) 0.0605(16) Uani 1 1 d .
N20 N -0.1356(4) 0.0665(4) 0.3432(3) 0.0496(14) Uani 1 1 d .
N21 N 0.0813(4) 0.2492(4) 0.1709(3) 0.0471(13) Uani 1 1 d .
N22 N 0.1171(5) 0.1216(4) 0.1654(3) 0.0574(15) Uani 1 1 d .
N23 N 0.0481(4) -0.0011(3) 0.2829(3) 0.0513(14) Uani 1 1 d .
N24 N 0.2153(4) 0.1146(3) 0.3152(3) 0.0451(13) Uani 1 1 d .
C1 C 0.6299(6) 0.6267(5) 0.2592(4) 0.064(2) Uani 1 1 d .
H1A H 0.5814 0.5642 0.2581 0.076 Uiso 1 1 calc R
C2 C 0.7250(6) 0.6465(5) 0.2659(5) 0.071(2) Uani 1 1 d .
H2A H 0.7419 0.5986 0.2678 0.086 Uiso 1 1 calc R
C3 C 0.7940(5) 0.7380(5) 0.2699(4) 0.068(2) Uani 1 1 d .
H3A H 0.8597 0.7530 0.2761 0.082 Uiso 1 1 calc R
C4 C 0.6774(4) 0.7818(4) 0.2574(3) 0.0407(14) Uani 1 1 d .
C5 C 0.6273(4) 0.9005(4) 0.3202(3) 0.0392(14) Uani 1 1 d .
C6 C 0.6196(6) 0.8803(6) 0.4258(4) 0.065(2) Uani 1 1 d .
H6A H 0.6238 0.8485 0.4614 0.078 Uiso 1 1 calc R
C7 C 0.5989(6) 0.9524(6) 0.4346(4) 0.073(2) Uani 1 1 d .
H7A H 0.5884 0.9698 0.4747 0.088 Uiso 1 1 calc R
C8 C 0.5943(6) 0.9983(5) 0.3807(4) 0.0590(19) Uani 1 1 d .
H8A H 0.5806 1.0482 0.3849 0.071 Uiso 1 1 calc R
C9 C 0.3703(6) 0.7445(6) 0.3728(4) 0.066(2) Uani 1 1 d .
H9A H 0.3801 0.6986 0.3929 0.080 Uiso 1 1 calc R
C10 C 0.3434(7) 0.7984(8) 0.4077(4) 0.087(3) Uani 1 1 d .
H10A H 0.3313 0.7883 0.4501 0.104 Uiso 1 1 calc R
C11 C 0.3351(7) 0.8682(7) 0.3774(4) 0.083(3) Uani 1 1 d .
H11A H 0.3206 0.9085 0.4012 0.100 Uiso 1 1 calc R
N6 N 0.3466(5) 0.8822(5) 0.3153(3) 0.0629(17) Uani 1 1 d .
C12 C 0.3693(4) 0.8228(4) 0.2854(3) 0.0435(15) Uani 1 1 d .
C13 C 0.3536(5) 0.9241(4) 0.1893(3) 0.0455(16) Uani 1 1 d .
C14 C 0.3955(6) 1.0781(5) 0.1951(5) 0.077(3) Uani 1 1 d .
H14A H 0.4418 1.1416 0.2057 0.093 Uiso 1 1 calc R
C15 C 0.3022(6) 1.0558(5) 0.1707(5) 0.083(3) Uani 1 1 d .
H15A H 0.2842 1.1026 0.1651 0.099 Uiso 1 1 calc R
C16 C 0.2360(6) 0.9632(6) 0.1547(4) 0.076(2) Uani 1 1 d .
H16A H 0.1719 0.9466 0.1368 0.091 Uiso 1 1 calc R
C17 C 0.4128(6) 0.5793(6) 0.1114(4) 0.064(2) Uani 1 1 d .
H17A H 0.4798 0.6038 0.1249 0.077 Uiso 1 1 calc R
C18 C 0.3748(7) 0.5352(7) 0.0504(4) 0.077(3) Uani 1 1 d .
H18A H 0.4139 0.5306 0.0219 0.093 Uiso 1 1 calc R
C19 C 0.2756(7) 0.4976(7) 0.0326(4) 0.074(2) Uani 1 1 d .
H19A H 0.2468 0.4657 -0.0089 0.088 Uiso 1 1 calc R
C20 C 0.2647(5) 0.5525(4) 0.1317(3) 0.0416(15) Uani 1 1 d .
C21 C 0.0802(4) 0.5206(4) 0.1376(3) 0.0386(14) Uani 1 1 d .
C22 C -0.0271(5) 0.5467(5) 0.0694(3) 0.0575(19) Uani 1 1 d .
H22A H -0.0449 0.5877 0.0488 0.069 Uiso 1 1 calc R
C23 C -0.0918(5) 0.4498(5) 0.0585(3) 0.0588(19) Uani 1 1 d .
H23A H -0.1507 0.4247 0.0297 0.071 Uiso 1 1 calc R
C24 C -0.0637(5) 0.3936(5) 0.0925(3) 0.0538(18) Uani 1 1 d .
H24A H -0.1057 0.3287 0.0873 0.065 Uiso 1 1 calc R
C25 C 0.3977(4) 0.4884(4) 0.3491(3) 0.0386(14) Uani 1 1 d .
C26 C 0.5027(5) 0.4603(5) 0.4188(3) 0.0530(18) Uani 1 1 d .
H26A H 0.5193 0.4186 0.4394 0.064 Uiso 1 1 calc R
C27 C 0.5658(5) 0.5553(5) 0.4319(4) 0.0578(19) Uani 1 1 d .
H27A H 0.6227 0.5791 0.4626 0.069 Uiso 1 1 calc R
C28 C 0.5414(5) 0.6136(5) 0.3979(4) 0.0559(18) Uani 1 1 d .
H28A H 0.5846 0.6783 0.4042 0.067 Uiso 1 1 calc R
C29 C 0.2122(5) 0.4447(4) 0.3567(3) 0.0462(16) Uani 1 1 d .
C30 C 0.1981(8) 0.4748(8) 0.4591(5) 0.103(3) Uani 1 1 d .
H30A H 0.2260 0.4982 0.5024 0.123 Uiso 1 1 calc R
C31 C 0.0981(8) 0.4405(9) 0.4417(5) 0.104(4) Uani 1 1 d .
H31A H 0.0586 0.4380 0.4722 0.125 Uiso 1 1 calc R
C32 C 0.0606(6) 0.4106(6) 0.3770(4) 0.069(2) Uani 1 1 d .
H32A H -0.0056 0.3898 0.3627 0.083 Uiso 1 1 calc R
C33 C -0.1550(6) 0.3852(5) 0.2282(4) 0.065(2) Uani 1 1 d .
H33A H -0.1070 0.4475 0.2276 0.078 Uiso 1 1 calc R
C34 C -0.2498(6) 0.3658(5) 0.2237(4) 0.071(2) Uani 1 1 d .
H34A H -0.2670 0.4135 0.2206 0.085 Uiso 1 1 calc R
C35 C -0.3181(6) 0.2747(5) 0.2238(5) 0.074(2) Uani 1 1 d .
H35A H -0.3836 0.2599 0.2203 0.089 Uiso 1 1 calc R
C36 C -0.2002(5) 0.2312(4) 0.2347(3) 0.0411(15) Uani 1 1 d .
C37 C -0.1525(4) 0.1372(4) 0.3248(3) 0.0429(15) Uani 1 1 d .
C38 C -0.1262(6) 0.0592(5) 0.4075(4) 0.062(2) Uani 1 1 d .
H38A H -0.1134 0.0122 0.4228 0.074 Uiso 1 1 calc R
C39 C -0.1351(6) 0.1194(7) 0.4511(4) 0.079(3) Uani 1 1 d .
H39A H -0.1301 0.1129 0.4955 0.094 Uiso 1 1 calc R
C40 C -0.1516(6) 0.1902(7) 0.4270(4) 0.076(2) Uani 1 1 d .
H40A H -0.1568 0.2324 0.4558 0.091 Uiso 1 1 calc R
C41 C 0.0868(6) 0.2563(6) 0.1075(4) 0.066(2) Uani 1 1 d .
H41A H 0.0771 0.3026 0.0878 0.080 Uiso 1 1 calc R
C42 C 0.1064(7) 0.1970(7) 0.0712(4) 0.084(3) Uani 1 1 d .
H42A H 0.1105 0.2020 0.0272 0.100 Uiso 1 1 calc R
C43 C 0.1199(7) 0.1295(7) 0.1027(4) 0.078(3) Uani 1 1 d .
H43A H 0.1316 0.0873 0.0785 0.094 Uiso 1 1 calc R
C44 C 0.0973(4) 0.1821(4) 0.1964(3) 0.0420(15) Uani 1 1 d .
C45 C 0.1212(4) 0.0876(4) 0.2941(3) 0.0410(15) Uani 1 1 d .
C46 C 0.0757(6) -0.0681(5) 0.2891(5) 0.081(3) Uani 1 1 d .
H46A H 0.0276 -0.1313 0.2806 0.097 Uiso 1 1 calc R
C47 C 0.1699(6) -0.0478(5) 0.3072(5) 0.084(3) Uani 1 1 d .
H47A H 0.1871 -0.0955 0.3098 0.100 Uiso 1 1 calc R
C48 C 0.2395(5) 0.0458(5) 0.3216(5) 0.072(2) Uani 1 1 d .
H48A H 0.3045 0.0617 0.3359 0.086 Uiso 1 1 calc R
S7 S 0.3289(2) 0.81669(18) 0.00767(12) 0.0923(8) Uani 1 1 d .
O1 O 0.2853(6) 0.8321(7) -0.0530(4) 0.151(4) Uani 1 1 d .
O2 O 0.2618(6) 0.7368(5) 0.0346(3) 0.129(3) Uani 1 1 d .
O3 O 0.3925(5) 0.8972(5) 0.0537(4) 0.117(3) Uani 1 1 d .
F13 F 0.4622(8) 0.7632(7) 0.0229(6) 0.186(4) Uani 1 1 d .
F12 F 0.3583(8) 0.6999(6) -0.0625(4) 0.205(5) Uani 1 1 d .
F11 F 0.4712(7) 0.8442(6) -0.0548(5) 0.175(4) Uani 1 1 d .
C49 C 0.4082(13) 0.7804(10) -0.0238(8) 0.133(5) Uani 1 1 d .
S8' S 0.5248(4) 0.2281(4) 0.4324(2) 0.0454(12) Uani 0.50 1 d P
S8 S 0.5192(5) 0.2007(5) 0.4033(3) 0.0767(19) Uani 0.50 1 d PD
O4 O 0.5203(5) 0.1375(4) 0.4447(3) 0.0879(19) Uani 1 1 d .
O5 O 0.4513(5) 0.2229(6) 0.3867(5) 0.144(3) Uani 1 1 d .
O6 O 0.5431(9) 0.2896(7) 0.4854(4) 0.061(3) Uani 0.50 1 d P
O6' O 0.5157(15) 0.1615(12) 0.3337(7) 0.128(6) Uani 0.50 1 d P
F23 F 0.6360(12) 0.2359(9) 0.3492(6) 0.313(10) Uani 1 1 d D
F22 F 0.7101(5) 0.2949(7) 0.4364(5) 0.186(4) Uani 1 1 d D
F21 F 0.6492(5) 0.3643(4) 0.3789(3) 0.129(2) Uani 1 1 d D
C50 C 0.6341(7) 0.2887(8) 0.4036(6) 0.059(3) Uani 0.60 1 d PD
C50' C 0.6434(18) 0.3422(12) 0.4773(8) 0.068(6) Uani 0.40 1 d P
S9 S -0.1385(2) -0.0980(2) 0.10767(12) 0.0972(8) Uani 1 1 d .
O7 O -0.1451(6) -0.0305(6) 0.1505(3) 0.111(2) Uani 1 1 d .
O8 O -0.1049(7) -0.1561(6) 0.1410(4) 0.137(3) Uani 1 1 d .
O9 O -0.0948(7) -0.0607(6) 0.0534(3) 0.145(3) Uani 1 1 d .
F33 F -0.2659(7) -0.2547(7) 0.0347(4) 0.205(5) Uani 1 1 d .
F32 F -0.3187(6) -0.2162(8) 0.1128(4) 0.222(6) Uani 1 1 d .
F31 F -0.3015(9) -0.1418(11) 0.0321(6) 0.263(8) Uani 1 1 d .
C51 C -0.2647(12) -0.1803(14) 0.0706(6) 0.158(7) Uani 1 1 d .
S10 S 0.03518(19) 0.65145(15) 0.28102(13) 0.0800(7) Uani 1 1 d .
O12 O -0.0588(7) 0.6336(8) 0.2499(5) 0.170(4) Uani 1 1 d .
O11 O 0.1184(8) 0.7372(5) 0.2709(5) 0.164(4) Uani 1 1 d .
O10 O 0.0503(5) 0.5735(4) 0.2713(3) 0.0917(19) Uani 1 1 d .
F43 F 0.0194(14) 0.7364(9) 0.3798(7) 0.320(9) Uani 1 1 d .
F42 F 0.1057(10) 0.6684(11) 0.4031(5) 0.245(7) Uani 1 1 d .
F41 F -0.0417(8) 0.5877(8) 0.3822(5) 0.214(5) Uani 1 1 d .
C52 C 0.0273(15) 0.6596(12) 0.3641(9) 0.151(6) Uani 1 1 d .
S11 S 0.44983(18) 0.36031(14) 0.20869(10) 0.0680(6) Uani 1 1 d .
O15 O 0.5507(6) 0.3863(7) 0.2279(5) 0.163(4) Uani 1 1 d .
O14 O 0.3802(7) 0.2744(4) 0.2269(4) 0.141(4) Uani 1 1 d .
O13 O 0.4303(4) 0.4366(3) 0.2191(3) 0.0732(15) Uani 1 1 d .
F51 F 0.3410(9) 0.3253(9) 0.0974(5) 0.230(6) Uani 1 1 d .
F52 F 0.4421(11) 0.2656(7) 0.1047(4) 0.239(6) Uani 1 1 d .
F53 F 0.4892(9) 0.4108(7) 0.0956(4) 0.195(5) Uani 1 1 d .
C53 C 0.4349(16) 0.3414(11) 0.1222(7) 0.138(6) Uani 1 1 d .
S12 S 0.17410(18) 0.17559(19) 0.46982(11) 0.0791(6) Uani 1 1 d .
F63 F 0.1384(11) 0.2835(8) 0.5419(6) 0.264(8) Uani 1 1 d .
F62 F 0.2052(7) 0.2135(10) 0.5903(4) 0.227(6) Uani 1 1 d .
F61 F 0.0582(5) 0.1423(6) 0.5550(3) 0.149(3) Uani 1 1 d .
O18 O 0.2676(5) 0.2487(5) 0.4681(4) 0.135(3) Uani 1 1 d .
O17 O 0.1016(7) 0.1655(11) 0.4209(4) 0.210(6) Uani 1 1 d .
O16 O 0.1678(9) 0.0858(6) 0.4788(5) 0.170(4) Uani 1 1 d .
C54 C 0.1419(8) 0.2059(10) 0.5402(5) 0.109(4) Uani 1 1 d .
O1W O 0.0341(8) 0.7675(6) 0.0569(6) 0.241(7) Uani 1 1 d .
O2W O -0.4072(5) -0.0009(5) 0.1186(3) 0.099(2) Uani 1 1 d .
O3W O -0.1508(18) 0.6410(18) 0.1226(8) 0.208(12) Uani 0.50 1 d P
O4W O 0.1380(13) 0.9134(13) -0.0019(10) 0.155(7) Uani 0.50 1 d P
O4W' O 0.136(2) 0.862(2) -0.0727(16) 0.252(13) Uiso 0.50 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
N N 0.0061 0.0033 '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
N9 Ag1 N5 119.54(19) . .
N9 Ag1 N1 100.59(19) . .
N5 Ag1 N1 128.76(18) . .
N9 Ag1 N13 126.08(18) . .
N5 Ag1 N13 96.70(18) . .
N1 Ag1 N13 81.95(18) . .
N11 Ag2 N8 173.9(2) . .
N21 Ag3 N16 121.43(19) . .
N21 Ag3 N17 125.58(19) . .
N16 Ag3 N17 100.82(19) . .
N21 Ag3 N12 94.54(18) . .
N16 Ag3 N12 128.76(18) . .
N17 Ag3 N12 81.90(18) . .
N14 Ag4 N24 176.62(19) . .
N14 Ag4 O5 94.7(2) . .
N24 Ag4 O5 88.0(2) . .
N3 Ag5 N18 117.9(2) 1_445 .
N3 Ag5 N7 110.29(19) 1_445 1_445
N18 Ag5 N7 112.85(18) . 1_445
N3 Ag5 O2W 128.0(2) 1_445 .
N18 Ag5 O2W 93.4(2) . .
N7 Ag5 O2W 91.2(2) 1_445 .
N20 Ag6 N23 112.18(19) . .
N20 Ag6 N2 113.31(19) . 1_445
N23 Ag6 N2 112.89(18) . 1_445
N20 Ag6 O7 123.8(2) . .
N23 Ag6 O7 100.0(2) . .
N2 Ag6 O7 93.0(2) 1_445 .
C5 S1 C4 100.8(3) . .
C12 S2 C13 98.1(3) . .
C20 S3 C21 99.1(3) . .
C29 S4 C25 97.8(3) . .
C37 S5 C36 99.2(3) . .
C44 S6 C45 97.9(3) . .
C4 N1 C1 114.7(6) . .
C4 N1 Ag1 122.3(4) . .
C1 N1 Ag1 122.0(4) . .
C4 N2 C3 115.4(6) . .
C4 N2 Ag6 119.5(4) . 1_665
C3 N2 Ag6 125.1(5) . 1_665
C5 N4 C6 115.1(6) . .
C8 N3 C5 115.6(6) . .
C8 N3 Ag5 121.9(4) . 1_665
C5 N3 Ag5 122.2(4) . 1_665
C12 N5 C9 115.3(6) . .
C12 N5 Ag1 125.3(4) . .
C9 N5 Ag1 119.2(4) . .
C13 N7 C14 114.9(6) . .
C13 N7 Ag5 119.2(4) . 1_665
C14 N7 Ag5 125.4(5) . 1_665
C13 N8 C16 115.0(6) . .
C13 N8 Ag2 118.9(4) . .
C16 N8 Ag2 125.7(5) . .
C20 N9 C17 114.4(6) . .
C20 N9 Ag1 125.6(4) . .
C17 N9 Ag1 119.9(5) . .
C20 N10 C19 114.9(6) . .
C22 N11 C21 116.2(5) . .
C22 N11 Ag2 123.3(4) . .
C21 N11 Ag2 120.3(4) . .
C21 N12 C24 116.0(5) . .
C21 N12 Ag3 117.1(4) . .
C24 N12 Ag3 121.6(4) . .
C25 N13 C28 116.3(5) . .
C25 N13 Ag1 114.5(4) . .
C28 N13 Ag1 124.2(4) . .
C26 N14 C25 116.4(5) . .
C26 N14 Ag4 123.7(4) . .
C25 N14 Ag4 119.5(4) . .
C30 N15 C29 115.2(7) . .
C29 N16 C32 116.1(6) . .
C29 N16 Ag3 126.0(4) . .
C32 N16 Ag3 117.9(5) . .
C36 N17 C33 114.5(6) . .
C36 N17 Ag3 121.4(4) . .
C33 N17 Ag3 123.8(4) . .
C36 N18 C35 115.5(6) . .
C36 N18 Ag5 120.0(4) . .
C35 N18 Ag5 124.5(5) . .
C37 N19 C40 116.4(7) . .
C38 N20 C37 115.9(6) . .
C38 N20 Ag6 122.2(5) . .
C37 N20 Ag6 121.8(5) . .
C44 N21 C41 116.4(6) . .
C44 N21 Ag3 123.8(4) . .
C41 N21 Ag3 119.8(4) . .
C43 N22 C44 115.1(6) . .
C45 N23 C46 114.9(6) . .
C45 N23 Ag6 119.6(4) . .
C46 N23 Ag6 124.9(4) . .
C45 N24 C48 116.8(5) . .
C45 N24 Ag4 119.0(4) . .
C48 N24 Ag4 124.0(4) . .
N1 C1 C2 122.2(7) . .
N1 C1 H1A 118.9 . .
C2 C1 H1A 118.9 . .
C3 C2 C1 117.7(7) . .
C3 C2 H2A 121.2 . .
C1 C2 H2A 121.2 . .
N2 C3 C2 122.3(7) . .
N2 C3 H3A 118.8 . .
C2 C3 H3A 118.8 . .
N2 C4 N1 127.5(6) . .
N2 C4 S1 116.2(4) . .
N1 C4 S1 116.0(5) . .
N4 C5 N3 126.8(6) . .
N4 C5 S1 120.7(5) . .
N3 C5 S1 112.4(5) . .
N4 C6 C7 123.7(7) . .
N4 C6 H6A 118.1 . .
C7 C6 H6A 118.1 . .
C6 C7 C8 116.4(7) . .
C6 C7 H7A 121.8 . .
C8 C7 H7A 121.8 . .
N3 C8 C7 122.3(7) . .
N3 C8 H8A 118.8 . .
C7 C8 H8A 118.8 . .
N5 C9 C10 122.8(7) . .
N5 C9 H9A 118.6 . .
C10 C9 H9A 118.6 . .
C9 C10 C11 116.5(8) . .
C9 C10 H10A 121.8 . .
C11 C10 H10A 121.8 . .
N6 C11 C10 123.9(8) . .
N6 C11 H11A 118.0 . .
C10 C11 H11A 118.0 . .
C12 N6 C11 114.0(7) . .
N6 C12 N5 127.3(6) . .
N6 C12 S2 119.0(5) . .
N5 C12 S2 113.7(5) . .
N7 C13 N8 127.5(6) . .
N7 C13 S2 117.1(5) . .
N8 C13 S2 115.5(5) . .
N7 C14 C15 122.9(7) . .
N7 C14 H14A 118.5 . .
C15 C14 H14A 118.5 . .
C16 C15 C14 117.8(7) . .
C16 C15 H15A 121.1 . .
C14 C15 H15A 121.1 . .
C15 C16 N8 121.9(7) . .
C15 C16 H16A 119.0 . .
N8 C16 H16A 119.0 . .
C18 C17 N9 124.3(7) . .
C18 C17 H17A 117.8 . .
N9 C17 H17A 117.8 . .
C17 C18 C19 116.4(8) . .
C17 C18 H18A 121.8 . .
C19 C18 H18A 121.8 . .
N10 C19 C18 122.8(7) . .
N10 C19 H19A 118.6 . .
C18 C19 H19A 118.6 . .
N9 C20 N10 127.2(6) . .
N9 C20 S3 113.5(5) . .
N10 C20 S3 119.3(5) . .
N12 C21 N11 126.3(5) . .
N12 C21 S3 117.3(4) . .
N11 C21 S3 116.4(4) . .
N11 C22 C23 122.2(6) . .
N11 C22 H22A 118.9 . .
C23 C22 H22A 118.9 . .
C24 C23 C22 116.1(6) . .
C24 C23 H23A 121.9 . .
C22 C23 H23A 121.9 . .
N12 C24 C23 123.0(6) . .
N12 C24 H24A 118.5 . .
C23 C24 H24A 118.5 . .
N13 C25 N14 125.1(6) . .
N13 C25 S4 118.1(4) . .
N14 C25 S4 116.7(4) . .
N14 C26 C27 122.5(6) . .
N14 C26 H26A 118.7 . .
C27 C26 H26A 118.7 . .
C28 C27 C26 116.8(6) . .
C28 C27 H27A 121.6 . .
C26 C27 H27A 121.6 . .
N13 C28 C27 122.6(6) . .
N13 C28 H28A 118.7 . .
C27 C28 H28A 118.7 . .
N15 C29 N16 126.9(7) . .
N15 C29 S4 119.2(5) . .
N16 C29 S4 113.8(5) . .
N15 C30 C31 123.7(8) . .
N15 C30 H30A 118.2 . .
C31 C30 H30A 118.2 . .
C32 C31 C30 116.2(8) . .
C32 C31 H31A 121.9 . .
C30 C31 H31A 121.9 . .
N16 C32 C31 121.8(7) . .
N16 C32 H32A 119.1 . .
C31 C32 H32A 119.1 . .
N17 C33 C34 122.9(6) . .
N17 C33 H33A 118.6 . .
C34 C33 H33A 118.6 . .
C35 C34 C33 117.4(7) . .
C35 C34 H34A 121.3 . .
C33 C34 H34A 121.3 . .
N18 C35 C34 122.4(7) . .
N18 C35 H35A 118.8 . .
C34 C35 H35A 118.8 . .
N17 C36 N18 127.3(6) . .
N17 C36 S5 115.6(5) . .
N18 C36 S5 117.0(4) . .
N19 C37 N20 126.7(6) . .
N19 C37 S5 120.6(5) . .
N20 C37 S5 112.7(5) . .
N20 C38 C39 121.6(7) . .
N20 C38 H38A 119.2 . .
C39 C38 H38A 119.2 . .
C38 C39 C40 117.7(8) . .
C38 C39 H39A 121.1 . .
C40 C39 H39A 121.1 . .
N19 C40 C39 121.7(8) . .
N19 C40 H40A 119.2 . .
C39 C40 H40A 119.2 . .
N21 C41 C42 121.3(7) . .
N21 C41 H41A 119.3 . .
C42 C41 H41A 119.3 . .
C41 C42 C43 117.1(8) . .
C41 C42 H42A 121.5 . .
C43 C42 H42A 121.5 . .
N22 C43 C42 123.3(7) . .
N22 C43 H43A 118.3 . .
C42 C43 H43A 118.3 . .
N22 C44 N21 126.8(6) . .
N22 C44 S6 120.1(5) . .
N21 C44 S6 113.1(5) . .
N23 C45 N24 126.2(5) . .
N23 C45 S6 117.0(4) . .
N24 C45 S6 116.7(4) . .
N23 C46 C47 123.1(7) . .
N23 C46 H46A 118.5 . .
C47 C46 H46A 118.5 . .
C46 C47 C48 117.7(7) . .
C46 C47 H47A 121.2 . .
C48 C47 H47A 121.2 . .
N24 C48 C47 121.1(7) . .
N24 C48 H48A 119.5 . .
C47 C48 H48A 119.5 . .
O2 S7 O3 115.1(4) . .
O2 S7 O1 112.6(5) . .
O3 S7 O1 118.1(6) . .
O2 S7 C49 104.9(6) . .
O3 S7 C49 104.8(6) . .
O1 S7 C49 98.6(7) . .
F11 C49 F12 109.2(12) . .
F11 C49 F13 105.2(14) . .
F12 C49 F13 104.6(14) . .
F11 C49 S7 113.0(11) . .
F12 C49 S7 111.8(12) . .
F13 C49 S7 112.5(11) . .
S8 S8' O6 173.4(13) . .
S8 S8' O5 68.5(9) . .
O6 S8' O5 111.3(7) . .
S8 S8' O4 67.9(9) . .
O6 S8' O4 117.0(6) . .
O5 S8' O4 115.6(6) . .
S8 S8' C50 75.0(10) . .
O6 S8' C50 99.2(7) . .
O5 S8' C50 108.3(6) . .
O4 S8' C50 103.4(5) . .
S8 S8' C50' 128.4(13) . .
O6 S8' C50' 46.2(7) . .
O5 S8' C50' 128.5(7) . .
O4 S8' C50' 115.6(7) . .
C50 S8' C50' 53.7(8) . .
S8' S8 O5 80.8(10) . .
S8' S8 O4 83.4(10) . .
O5 S8 O4 129.0(8) . .
S8' S8 O6' 167.7(13) . .
O5 S8 O6' 94.8(9) . .
O4 S8 O6' 108.0(8) . .
S8' S8 C50 81.1(10) . .
O5 S8 C50 114.7(7) . .
O4 S8 C50 110.1(6) . .
O6' S8 C50 90.5(9) . .
S8' S8 O6 4.3(9) . .
O5 S8 O6 80.8(6) . .
O4 S8 O6 86.7(5) . .
O6' S8 O6 163.6(8) . .
C50 S8 O6 77.2(6) . .
S8' S8 F23 122.0(11) . .
O5 S8 F23 121.6(7) . .
O4 S8 F23 107.9(6) . .
O6' S8 F23 51.0(8) . .
C50 S8 F23 41.2(5) . .
O6 S8 F23 118.3(6) . .
S8 O4 S8' 28.7(3) . .
S8 O5 S8' 30.7(3) . .
S8 O5 Ag4 175.7(8) . .
S8' O5 Ag4 152.2(6) . .
S8' O6 C50' 90.3(9) . .
S8' O6 S8 2.2(4) . .
C50' O6 S8 88.5(8) . .
S8 O6' F23 82.9(9) . .
C50 F23 O6' 96.4(9) . .
C50 F23 S8 52.2(6) . .
O6' F23 S8 46.0(6) . .
C50 F22 C50' 63.2(9) . .
F22 C50 F21 112.8(10) . .
F22 C50 F23 94.8(9) . .
F21 C50 F23 99.7(9) . .
F22 C50 S8 125.2(9) . .
F21 C50 S8 120.9(8) . .
F23 C50 S8 86.6(9) . .
F22 C50 C50' 75.2(11) . .
F21 C50 C50' 89.3(10) . .
F23 C50 C50' 168.7(12) . .
S8 C50 C50' 94.7(10) . .
F22 C50 S8' 118.2(9) . .
F21 C50 S8' 116.7(8) . .
F23 C50 S8' 110.4(9) . .
S8 C50 S8' 23.9(3) . .
C50' C50 S8' 70.9(9) . .
O6 C50' C50 98.2(11) . .
O6 C50' F22 125.3(11) . .
C50 C50' F22 41.6(6) . .
O6 C50' S8' 43.5(6) . .
C50 C50' S8' 55.4(6) . .
F22 C50' S8' 84.7(7) . .
O9 S9 O7 113.8(5) . .
O9 S9 O8 115.7(6) . .
O7 S9 O8 113.7(5) . .
O9 S9 C51 102.3(6) . .
O7 S9 C51 105.2(7) . .
O8 S9 C51 104.4(8) . .
S9 O7 Ag6 120.5(4) . .
F32 C51 F31 109.7(19) . .
F32 C51 F33 106.2(16) . .
F31 C51 F33 107.8(12) . .
F32 C51 S9 111.9(9) . .
F31 C51 S9 112.3(14) . .
F33 C51 S9 108.8(13) . .
O10 S10 O12 112.3(6) . .
O10 S10 O11 111.3(5) . .
O12 S10 O11 117.8(6) . .
O10 S10 C52 104.3(6) . .
O12 S10 C52 103.1(8) . .
O11 S10 C52 106.7(7) . .
F41 C52 F42 102.2(18) . .
F41 C52 F43 109.6(15) . .
F42 C52 F43 106.5(17) . .
F41 C52 S10 115.2(13) . .
F42 C52 S10 113.5(12) . .
F43 C52 S10 109.3(14) . .
O14 S11 O13 114.2(5) . .
O14 S11 O15 116.9(6) . .
O13 S11 O15 113.1(5) . .
O14 S11 C53 104.9(7) . .
O13 S11 C53 103.2(5) . .
O15 S11 C53 102.2(8) . .
F53 C53 F52 111.4(13) . .
F53 C53 F51 103.6(13) . .
F52 C53 F51 108.6(16) . .
F53 C53 S11 115.4(12) . .
F52 C53 S11 110.1(10) . .
F51 C53 S11 107.3(11) . .
O17 S12 O18 116.5(7) . .
O17 S12 O16 110.0(8) . .
O18 S12 O16 115.3(6) . .
O17 S12 C54 104.6(6) . .
O18 S12 C54 104.7(5) . .
O16 S12 C54 104.1(6) . .
F63 C54 F62 107.3(13) . .
F63 C54 F61 105.8(12) . .
F62 C54 F61 102.8(10) . .
F63 C54 S12 115.2(9) . .
F62 C54 S12 109.1(10) . .
F61 C54 S12 115.6(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N9 2.308(5) .
Ag1 N5 2.311(5) .
Ag1 N1 2.444(5) .
Ag1 N13 2.523(5) .
Ag2 N11 2.246(5) .
Ag2 N8 2.250(5) .
Ag3 N21 2.294(5) .
Ag3 N16 2.297(5) .
Ag3 N17 2.480(6) .
Ag3 N12 2.486(5) .
Ag4 N14 2.250(5) .
Ag4 N24 2.258(5) .
Ag4 O5 2.563(7) .
Ag5 N3 2.308(5) 1_445
Ag5 N18 2.356(5) .
Ag5 N7 2.395(6) 1_445
Ag5 O2W 2.449(6) .
Ag6 N20 2.314(6) .
Ag6 N23 2.331(5) .
Ag6 N2 2.364(5) 1_445
Ag6 O7 2.456(6) .
S1 C5 1.756(7) .
S1 C4 1.797(6) .
S2 C12 1.764(7) .
S2 C13 1.798(6) .
S3 C20 1.771(7) .
S3 C21 1.791(6) .
S4 C29 1.773(7) .
S4 C25 1.784(6) .
S5 C37 1.759(7) .
S5 C36 1.791(6) .
S6 C44 1.772(7) .
S6 C45 1.783(6) .
N1 C4 1.326(8) .
N1 C1 1.347(9) .
N2 C4 1.312(8) .
N2 C3 1.342(8) .
N2 Ag6 2.364(5) 1_665
N4 C5 1.322(8) .
N4 C6 1.335(9) .
N3 C8 1.330(9) .
N3 C5 1.347(7) .
N3 Ag5 2.308(5) 1_665
N5 C12 1.335(8) .
N5 C9 1.335(9) .
N7 C13 1.321(8) .
N7 C14 1.340(9) .
N7 Ag5 2.395(6) 1_665
N8 C13 1.330(8) .
N8 C16 1.354(9) .
N9 C20 1.329(8) .
N9 C17 1.350(9) .
N10 C20 1.339(8) .
N10 C19 1.356(10) .
N11 C22 1.334(8) .
N11 C21 1.336(7) .
N12 C21 1.322(7) .
N12 C24 1.344(8) .
N13 C25 1.326(7) .
N13 C28 1.346(8) .
N14 C26 1.334(8) .
N14 C25 1.345(7) .
N15 C30 1.320(11) .
N15 C29 1.321(8) .
N16 C29 1.337(8) .
N16 C32 1.340(9) .
N17 C36 1.324(8) .
N17 C33 1.355(9) .
N18 C36 1.326(8) .
N18 C35 1.345(9) .
N19 C37 1.321(8) .
N19 C40 1.335(10) .
N20 C38 1.343(9) .
N20 C37 1.347(8) .
N21 C44 1.336(8) .
N21 C41 1.338(8) .
N22 C43 1.320(10) .
N22 C44 1.327(8) .
N23 C45 1.331(8) .
N23 C46 1.347(9) .
N24 C45 1.332(8) .
N24 C48 1.339(8) .
C1 C2 1.356(10) .
C1 H1A 0.9300 .
C2 C3 1.346(10) .
C2 H2A 0.9300 .
C3 H3A 0.9300 .
C6 C7 1.360(11) .
C6 H6A 0.9300 .
C7 C8 1.380(11) .
C7 H7A 0.9300 .
C8 H8A 0.9300 .
C9 C10 1.357(11) .
C9 H9A 0.9300 .
C10 C11 1.361(12) .
C10 H10A 0.9300 .
C11 N6 1.340(10) .
C11 H11A 0.9300 .
N6 C12 1.329(8) .
C14 C15 1.353(11) .
C14 H14A 0.9300 .
C15 C16 1.351(10) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C18 1.345(11) .
C17 H17A 0.9300 .
C18 C19 1.369(12) .
C18 H18A 0.9300 .
C19 H19A 0.9300 .
C22 C23 1.392(9) .
C22 H22A 0.9300 .
C23 C24 1.366(9) .
C23 H23A 0.9300 .
C24 H24A 0.9300 .
C26 C27 1.367(9) .
C26 H26A 0.9300 .
C27 C28 1.361(9) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C30 C31 1.385(13) .
C30 H30A 0.9300 .
C31 C32 1.370(11) .
C31 H31A 0.9300 .
C32 H32A 0.9300 .
C33 C34 1.357(10) .
C33 H33A 0.9300 .
C34 C35 1.348(10) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
C38 C39 1.373(11) .
C38 H38A 0.9300 .
C39 C40 1.384(12) .
C39 H39A 0.9300 .
C40 H40A 0.9300 .
C41 C42 1.365(11) .
C41 H41A 0.9300 .
C42 C43 1.378(11) .
C42 H42A 0.9300 .
C43 H43A 0.9300 .
C46 C47 1.352(11) .
C46 H46A 0.9300 .
C47 C48 1.372(10) .
C47 H47A 0.9300 .
C48 H48A 0.9300 .
S7 O2 1.415(7) .
S7 O3 1.428(7) .
S7 O1 1.446(8) .
S7 C49 1.785(16) .
F13 C49 1.332(16) .
F12 C49 1.322(15) .
F11 C49 1.304(15) .
S8' S8 0.707(6) .
S8' O6 1.361(10) .
S8' O5 1.367(9) .
S8' O4 1.465(8) .
S8' C50 1.723(13) .
S8' C50' 1.978(19) .
S8 O5 1.288(9) .
S8 O4 1.366(8) .
S8 O6' 1.543(15) .
S8 C50 1.684(11) .
S8 O6 2.065(11) .
S8 F23 2.127(13) .
O6 C50' 1.43(2) .
O6' F23 1.67(2) .
F23 C50 1.402(13) .
F22 C50 1.255(11) .
F22 C50' 1.83(2) .
F21 C50 1.271(10) .
C50 C50' 1.69(2) .
S9 O9 1.403(7) .
S9 O7 1.433(7) .
S9 O8 1.436(9) .
S9 C51 1.823(15) .
F33 C51 1.38(2) .
F32 C51 1.261(14) .
F31 C51 1.27(2) .
S10 O10 1.398(6) .
S10 O12 1.422(9) .
S10 O11 1.429(8) .
S10 C52 1.754(17) .
F43 C52 1.335(16) .
F42 C52 1.33(2) .
F41 C52 1.268(18) .
S11 O14 1.404(7) .
S11 O13 1.418(5) .
S11 O15 1.429(8) .
S11 C53 1.781(13) .
F51 C53 1.39(2) .
F52 C53 1.323(13) .
F53 C53 1.245(16) .
S12 O17 1.370(8) .
S12 O18 1.387(7) .
S12 O16 1.426(8) .
S12 C54 1.735(13) .
F63 C54 1.279(14) .
F62 C54 1.304(12) .
F61 C54 1.311(12) .
O4W O4W' 1.65(3) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
N9 Ag1 N1 C4 113.0(5) .
N5 Ag1 N1 C4 -29.5(6) .
N13 Ag1 N1 C4 -121.6(5) .
N9 Ag1 N1 C1 -78.7(6) .
N5 Ag1 N1 C1 138.8(5) .
N13 Ag1 N1 C1 46.7(6) .
N9 Ag1 N5 C12 -49.2(6) .
N1 Ag1 N5 C12 87.3(5) .
N13 Ag1 N5 C12 172.4(5) .
N9 Ag1 N5 C9 134.8(5) .
N1 Ag1 N5 C9 -88.6(6) .
N13 Ag1 N5 C9 -3.6(6) .
N11 Ag2 N8 C13 97.5(18) .
N11 Ag2 N8 C16 -89.8(19) .
N5 Ag1 N9 C20 -37.6(5) .
N1 Ag1 N9 C20 175.5(5) .
N13 Ag1 N9 C20 87.8(5) .
N5 Ag1 N9 C17 145.9(5) .
N1 Ag1 N9 C17 -1.0(5) .
N13 Ag1 N9 C17 -88.7(5) .
N8 Ag2 N11 C22 102.6(18) .
N8 Ag2 N11 C21 -72.8(19) .
N21 Ag3 N12 C21 -119.7(5) .
N16 Ag3 N12 C21 17.6(6) .
N17 Ag3 N12 C21 115.0(5) .
N21 Ag3 N12 C24 87.2(5) .
N16 Ag3 N12 C24 -135.5(5) .
N17 Ag3 N12 C24 -38.1(5) .
N9 Ag1 N13 C25 -18.9(5) .
N5 Ag1 N13 C25 115.5(4) .
N1 Ag1 N13 C25 -116.2(5) .
N9 Ag1 N13 C28 134.9(5) .
N5 Ag1 N13 C28 -90.7(5) .
N1 Ag1 N13 C28 37.7(5) .
N24 Ag4 N14 C26 131(3) .
O5 Ag4 N14 C26 -14.7(6) .
N24 Ag4 N14 C25 -57(3) .
O5 Ag4 N14 C25 157.7(5) .
N21 Ag3 N16 C29 40.2(6) .
N17 Ag3 N16 C29 -175.6(5) .
N12 Ag3 N16 C29 -87.3(5) .
N21 Ag3 N16 C32 -136.9(5) .
N17 Ag3 N16 C32 7.3(6) .
N12 Ag3 N16 C32 95.5(6) .
N21 Ag3 N17 C36 36.6(6) .
N16 Ag3 N17 C36 -105.5(5) .
N12 Ag3 N17 C36 126.4(5) .
N21 Ag3 N17 C33 -135.6(6) .
N16 Ag3 N17 C33 82.3(6) .
N12 Ag3 N17 C33 -45.8(6) .
N3 Ag5 N18 C36 57.8(6) 1_445
N7 Ag5 N18 C36 -171.7(5) 1_445
O2W Ag5 N18 C36 -78.9(6) .
N3 Ag5 N18 C35 -119.5(7) 1_445
N7 Ag5 N18 C35 10.9(7) 1_445
O2W Ag5 N18 C35 103.7(7) .
N23 Ag6 N20 C38 -66.3(6) .
N2 Ag6 N20 C38 63.0(6) 1_445
O7 Ag6 N20 C38 173.9(5) .
N23 Ag6 N20 C37 109.4(5) .
N2 Ag6 N20 C37 -121.3(5) 1_445
O7 Ag6 N20 C37 -10.4(6) .
N16 Ag3 N21 C44 41.2(6) .
N17 Ag3 N21 C44 -93.8(5) .
N12 Ag3 N21 C44 -177.1(5) .
N16 Ag3 N21 C41 -140.7(5) .
N17 Ag3 N21 C41 84.3(6) .
N12 Ag3 N21 C41 1.0(6) .
N20 Ag6 N23 C45 -42.2(6) .
N2 Ag6 N23 C45 -171.7(5) 1_445
O7 Ag6 N23 C45 90.8(5) .
N20 Ag6 N23 C46 128.5(7) .
N2 Ag6 N23 C46 -1.0(7) 1_445
O7 Ag6 N23 C46 -98.6(7) .
N14 Ag4 N24 C45 27(3) .
O5 Ag4 N24 C45 172.5(5) .
N14 Ag4 N24 C48 -148(3) .
O5 Ag4 N24 C48 -2.1(7) .
C4 N1 C1 C2 -1.4(11) .
Ag1 N1 C1 C2 -170.5(7) .
N1 C1 C2 C3 2.5(14) .
C4 N2 C3 C2 0.8(12) .
Ag6 N2 C3 C2 -178.6(7) 1_665
C1 C2 C3 N2 -2.2(14) .
C3 N2 C4 N1 0.4(11) .
Ag6 N2 C4 N1 179.9(5) 1_665
C3 N2 C4 S1 -173.5(6) .
Ag6 N2 C4 S1 6.0(7) 1_665
C1 N1 C4 N2 -0.1(10) .
Ag1 N1 C4 N2 168.9(5) .
C1 N1 C4 S1 173.8(5) .
Ag1 N1 C4 S1 -17.2(7) .
C5 S1 C4 N2 -99.5(5) .
C5 S1 C4 N1 85.9(5) .
C6 N4 C5 N3 1.2(10) .
C6 N4 C5 S1 -180.0(5) .
C8 N3 C5 N4 -1.5(9) .
Ag5 N3 C5 N4 -176.6(5) 1_665
C8 N3 C5 S1 179.6(5) .
Ag5 N3 C5 S1 4.5(6) 1_665
C4 S1 C5 N4 -3.7(6) .
C4 S1 C5 N3 175.3(4) .
C5 N4 C6 C7 -0.1(11) .
N4 C6 C7 C8 -0.6(13) .
C5 N3 C8 C7 0.6(10) .
Ag5 N3 C8 C7 175.8(6) 1_665
C6 C7 C8 N3 0.3(12) .
C12 N5 C9 C10 1.0(11) .
Ag1 N5 C9 C10 177.3(7) .
N5 C9 C10 C11 -3.5(14) .
C9 C10 C11 N6 3.8(15) .
C10 C11 N6 C12 -1.5(13) .
C11 N6 C12 N5 -1.4(11) .
C11 N6 C12 S2 179.9(6) .
C9 N5 C12 N6 1.7(10) .
Ag1 N5 C12 N6 -174.4(5) .
C9 N5 C12 S2 -179.6(5) .
Ag1 N5 C12 S2 4.4(7) .
C13 S2 C12 N6 -4.5(6) .
C13 S2 C12 N5 176.6(5) .
C14 N7 C13 N8 2.2(11) .
Ag5 N7 C13 N8 -169.4(6) 1_665
C14 N7 C13 S2 -178.2(6) .
Ag5 N7 C13 S2 10.3(7) 1_665
C16 N8 C13 N7 -1.4(11) .
Ag2 N8 C13 N7 172.1(6) .
C16 N8 C13 S2 178.9(6) .
Ag2 N8 C13 S2 -7.6(7) .
C12 S2 C13 N7 86.7(6) .
C12 S2 C13 N8 -93.6(6) .
C13 N7 C14 C15 -1.0(13) .
Ag5 N7 C14 C15 170.0(7) 1_665
N7 C14 C15 C16 -0.8(15) .
C14 C15 C16 N8 1.7(15) .
C13 N8 C16 C15 -0.7(13) .
Ag2 N8 C16 C15 -173.6(7) .
C20 N9 C17 C18 0.7(11) .
Ag1 N9 C17 C18 177.5(7) .
N9 C17 C18 C19 -1.8(13) .
C20 N10 C19 C18 0.6(12) .
C17 C18 C19 N10 1.0(14) .
C17 N9 C20 N10 1.3(9) .
Ag1 N9 C20 N10 -175.3(5) .
C17 N9 C20 S3 -179.7(5) .
Ag1 N9 C20 S3 3.7(6) .
C19 N10 C20 N9 -2.0(10) .
C19 N10 C20 S3 179.1(5) .
C21 S3 C20 N9 174.2(4) .
C21 S3 C20 N10 -6.7(6) .
C24 N12 C21 N11 3.9(10) .
Ag3 N12 C21 N11 -150.7(5) .
C24 N12 C21 S3 -177.4(5) .
Ag3 N12 C21 S3 28.1(6) .
C22 N11 C21 N12 -2.4(10) .
Ag2 N11 C21 N12 173.3(5) .
C22 N11 C21 S3 178.8(5) .
Ag2 N11 C21 S3 -5.5(7) .
C20 S3 C21 N12 86.0(5) .
C20 S3 C21 N11 -95.1(5) .
C21 N11 C22 C23 -1.3(11) .
Ag2 N11 C22 C23 -176.9(6) .
N11 C22 C23 C24 3.1(12) .
C21 N12 C24 C23 -1.7(10) .
Ag3 N12 C24 C23 151.7(6) .
C22 C23 C24 N12 -1.5(11) .
C28 N13 C25 N14 -5.2(10) .
Ag1 N13 C25 N14 150.7(5) .
C28 N13 C25 S4 176.7(5) .
Ag1 N13 C25 S4 -27.3(6) .
C26 N14 C25 N13 4.8(9) .
Ag4 N14 C25 N13 -168.2(5) .
C26 N14 C25 S4 -177.1(5) .
Ag4 N14 C25 S4 9.9(6) .
C29 S4 C25 N13 -92.6(5) .
C29 S4 C25 N14 89.2(5) .
C25 N14 C26 C27 0.0(10) .
Ag4 N14 C26 C27 172.7(6) .
N14 C26 C27 C28 -3.7(12) .
C25 N13 C28 C27 1.0(11) .
Ag1 N13 C28 C27 -152.4(6) .
C26 C27 C28 N13 3.2(12) .
C30 N15 C29 N16 -1.5(12) .
C30 N15 C29 S4 -179.5(7) .
C32 N16 C29 N15 1.8(11) .
Ag3 N16 C29 N15 -175.4(6) .
C32 N16 C29 S4 180.0(5) .
Ag3 N16 C29 S4 2.7(7) .
C25 S4 C29 N15 0.4(6) .
C25 S4 C29 N16 -177.9(5) .
C29 N15 C30 C31 1.9(16) .
N15 C30 C31 C32 -2.7(19) .
C29 N16 C32 C31 -2.6(12) .
Ag3 N16 C32 C31 174.9(8) .
C30 C31 C32 N16 3.0(16) .
C36 N17 C33 C34 -0.5(11) .
Ag3 N17 C33 C34 172.2(7) .
N17 C33 C34 C35 -0.9(14) .
C36 N18 C35 C34 1.1(13) .
Ag5 N18 C35 C34 178.6(7) .
C33 C34 C35 N18 0.6(14) .
C33 N17 C36 N18 2.5(10) .
Ag3 N17 C36 N18 -170.3(5) .
C33 N17 C36 S5 178.5(5) .
Ag3 N17 C36 S5 5.6(7) .
C35 N18 C36 N17 -2.9(11) .
Ag5 N18 C36 N17 179.6(5) .
C35 N18 C36 S5 -178.8(6) .
Ag5 N18 C36 S5 3.7(7) .
C37 S5 C36 N17 94.2(5) .
C37 S5 C36 N18 -89.4(6) .
C40 N19 C37 N20 -1.1(10) .
C40 N19 C37 S5 177.9(6) .
C38 N20 C37 N19 0.4(10) .
Ag6 N20 C37 N19 -175.5(5) .
C38 N20 C37 S5 -178.7(5) .
Ag6 N20 C37 S5 5.3(6) .
C36 S5 C37 N19 -5.2(6) .
C36 S5 C37 N20 174.0(4) .
C37 N20 C38 C39 1.0(10) .
Ag6 N20 C38 C39 177.0(6) .
N20 C38 C39 C40 -1.7(13) .
C37 N19 C40 C39 0.4(12) .
C38 C39 C40 N19 0.9(13) .
C44 N21 C41 C42 0.9(11) .
Ag3 N21 C41 C42 -177.3(7) .
N21 C41 C42 C43 0.2(14) .
C44 N22 C43 C42 1.9(13) .
C41 C42 C43 N22 -1.7(15) .
C43 N22 C44 N21 -0.7(11) .
C43 N22 C44 S6 179.6(6) .
C41 N21 C44 N22 -0.7(10) .
Ag3 N21 C44 N22 177.5(5) .
C41 N21 C44 S6 179.0(5) .
Ag3 N21 C44 S6 -2.8(7) .
C45 S6 C44 N22 2.3(6) .
C45 S6 C44 N21 -177.4(5) .
C46 N23 C45 N24 -5.5(11) .
Ag6 N23 C45 N24 166.0(5) .
C46 N23 C45 S6 175.4(6) .
Ag6 N23 C45 S6 -13.0(7) .
C48 N24 C45 N23 4.9(11) .
Ag4 N24 C45 N23 -170.2(5) .
C48 N24 C45 S6 -176.1(6) .
Ag4 N24 C45 S6 8.9(7) .
C44 S6 C45 N23 -86.6(6) .
C44 S6 C45 N24 94.2(5) .
C45 N23 C46 C47 1.9(13) .
Ag6 N23 C46 C47 -169.2(8) .
N23 C46 C47 C48 2.0(16) .
C45 N24 C48 C47 -0.4(12) .
Ag4 N24 C48 C47 174.4(7) .
C46 C47 C48 N24 -2.8(15) .
O2 S7 C49 F11 175.5(11) .
O3 S7 C49 F11 -63.0(13) .
O1 S7 C49 F11 59.2(13) .
O2 S7 C49 F12 51.8(13) .
O3 S7 C49 F12 173.4(11) .
O1 S7 C49 F12 -64.4(12) .
O2 S7 C49 F13 -65.6(12) .
O3 S7 C49 F13 56.0(12) .
O1 S7 C49 F13 178.2(11) .
O6 S8' S8 O5 -89(11) .
O4 S8' S8 O5 131.4(6) .
C50 S8' S8 O5 -117.0(6) .
C50' S8' S8 O5 -122.8(12) .
O6 S8' S8 O4 139(10) .
O5 S8' S8 O4 -131.4(6) .
C50 S8' S8 O4 111.6(5) .
C50' S8' S8 O4 105.9(12) .
O6 S8' S8 O6' -20(15) .
O5 S8' S8 O6' 70(6) .
O4 S8' S8 O6' -159(6) .
C50 S8' S8 O6' -47(6) .
C50' S8' S8 O6' -53(7) .
O6 S8' S8 C50 28(11) .
O5 S8' S8 C50 117.0(6) .
O4 S8' S8 C50 -111.6(5) .
C50' S8' S8 C50 -5.8(12) .
O5 S8' S8 O6 89(11) .
O4 S8' S8 O6 -139(10) .
C50 S8' S8 O6 -28(11) .
C50' S8' S8 O6 -33(10) .
O6 S8' S8 F23 32(11) .
O5 S8' S8 F23 121.6(10) .
O4 S8' S8 F23 -107.0(9) .
C50 S8' S8 F23 4.6(9) .
C50' S8' S8 F23 -1.1(18) .
O5 S8 O4 S8' -72.5(12) .
O6' S8 O4 S8' 175.4(15) .
C50 S8 O4 S8' 78.0(10) .
O6 S8 O4 S8' 2.8(8) .
F23 S8 O4 S8' 121.5(11) .
O6 S8' O4 S8 -175.2(14) .
O5 S8' O4 S8 50.7(9) .
C50 S8' O4 S8 -67.4(10) .
C50' S8' O4 S8 -123.3(13) .
O4 S8 O5 S8' 73.7(12) .
O6' S8 O5 S8' -168.5(14) .
C50 S8 O5 S8' -75.6(10) .
O6 S8 O5 S8' -4.4(9) .
F23 S8 O5 S8' -122.0(13) .
S8' S8 O5 Ag4 136(8) .
O4 S8 O5 Ag4 -150(8) .
O6' S8 O5 Ag4 -33(9) .
C50 S8 O5 Ag4 60(9) .
O6 S8 O5 Ag4 132(8) .
F23 S8 O5 Ag4 14(9) .
O6 S8' O5 S8 172.9(14) .
O4 S8' O5 S8 -50.4(9) .
C50 S8' O5 S8 65.0(10) .
C50' S8' O5 S8 122.7(15) .
S8 S8' O5 Ag4 -173.7(14) .
O6 S8' O5 Ag4 -0.7(16) .
O4 S8' O5 Ag4 135.9(10) .
C50 S8' O5 Ag4 -108.7(13) .
C50' S8' O5 Ag4 -51.0(18) .
N14 Ag4 O5 S8 -86(9) .
N24 Ag4 O5 S8 96(9) .
N14 Ag4 O5 S8' 44.0(13) .
N24 Ag4 O5 S8' -134.1(13) .
S8 S8' O6 C50' -37(11) .
O5 S8' O6 C50' -123.5(10) .
O4 S8' O6 C50' 100.6(10) .
C50 S8' O6 C50' -9.7(10) .
O5 S8' O6 S8 -87(11) .
O4 S8' O6 S8 137(11) .
C50 S8' O6 S8 27(10) .
C50' S8' O6 S8 37(11) .
O5 S8 O6 S8' 90(11) .
O4 S8 O6 S8' -40(10) .
O6' S8 O6 S8' 165(12) .
C50 S8 O6 S8' -152(11) .
F23 S8 O6 S8' -149(11) .
S8' S8 O6 C50' 143(11) .
O5 S8 O6 C50' -126.8(10) .
O4 S8 O6 C50' 102.8(10) .
O6' S8 O6 C50' -51(3) .
C50 S8 O6 C50' -8.7(9) .
F23 S8 O6 C50' -5.8(10) .
S8' S8 O6' F23 59(6) .
O5 S8 O6' F23 127.5(8) .
O4 S8 O6' F23 -98.8(8) .
C50 S8 O6' F23 12.6(8) .
O6 S8 O6' F23 54(3) .
S8 O6' F23 C50 -15.3(10) .
S8' S8 F23 C50 -6.9(13) .
O5 S8 F23 C50 92.4(10) .
O4 S8 F23 C50 -100.4(8) .
O6' S8 F23 C50 160.6(12) .
O6 S8 F23 C50 -4.3(8) .
S8' S8 F23 O6' -167.6(16) .
O5 S8 F23 O6' -68.2(11) .
O4 S8 F23 O6' 99.0(10) .
C50 S8 F23 O6' -160.6(12) .
O6 S8 F23 O6' -165.0(10) .
C50' F22 C50 F21 82.8(12) .
C50' F22 C50 F23 -174.6(11) .
C50' F22 C50 S8 -85.3(13) .
C50' F22 C50 S8' -58.3(11) .
O6' F23 C50 F22 139.0(10) .
S8 F23 C50 F22 125.1(9) .
O6' F23 C50 F21 -106.9(10) .
S8 F23 C50 F21 -120.8(9) .
O6' F23 C50 S8 13.9(9) .
O6' F23 C50 C50' 111(7) .
S8 F23 C50 C50' 97(7) .
O6' F23 C50 S8' 16.5(11) .
S8 F23 C50 S8' 2.6(5) .
S8' S8 C50 F22 80.5(15) .
O5 S8 C50 F22 156.0(12) .
O4 S8 C50 F22 0.9(15) .
O6' S8 C50 F22 -108.5(14) .
O6 S8 C50 F22 82.6(12) .
F23 S8 C50 F22 -93.5(12) .
S8' S8 C50 F21 -86.6(13) .
O5 S8 C50 F21 -11.2(14) .
O4 S8 C50 F21 -166.2(9) .
O6' S8 C50 F21 84.4(12) .
O6 S8 C50 F21 -84.6(10) .
F23 S8 C50 F21 99.3(12) .
S8' S8 C50 F23 174.0(11) .
O5 S8 C50 F23 -110.5(10) .
O4 S8 C50 F23 94.5(8) .
O6' S8 C50 F23 -14.9(10) .
O6 S8 C50 F23 176.1(8) .
S8' S8 C50 C50' 5.3(12) .
O5 S8 C50 C50' 80.8(11) .
O4 S8 C50 C50' -74.3(9) .
O6' S8 C50 C50' 176.3(10) .
O6 S8 C50 C50' 7.4(8) .
F23 S8 C50 C50' -168.7(11) .
O5 S8 C50 S8' 75.5(11) .
O4 S8 C50 S8' -79.6(10) .
O6' S8 C50 S8' 171.0(13) .
O6 S8 C50 S8' 2.1(8) .
F23 S8 C50 S8' -174.0(11) .
S8 S8' C50 F22 -113.9(13) .
O6 S8' C50 F22 69.2(11) .
O5 S8' C50 F22 -174.7(10) .
O4 S8' C50 F22 -51.6(11) .
C50' S8' C50 F22 60.5(12) .
S8 S8' C50 F21 106.5(13) .
O6 S8' C50 F21 -70.4(10) .
O5 S8' C50 F21 45.7(11) .
O4 S8' C50 F21 168.8(9) .
C50' S8' C50 F21 -79.1(12) .
S8 S8' C50 F23 -6.3(12) .
O6 S8' C50 F23 176.7(9) .
O5 S8' C50 F23 -67.1(10) .
O4 S8' C50 F23 56.0(9) .
C50' S8' C50 F23 168.1(12) .
O6 S8' C50 S8 -176.9(12) .
O5 S8' C50 S8 -60.8(9) .
O4 S8' C50 S8 62.3(8) .
C50' S8' C50 S8 174.4(12) .
S8 S8' C50 C50' -174.4(12) .
O6 S8' C50 C50' 8.7(9) .
O5 S8' C50 C50' 124.8(9) .
O4 S8' C50 C50' -112.1(8) .
S8' O6 C50' C50 9.9(10) .
S8 O6 C50' C50 8.6(9) .
S8' O6 C50' F22 -24.7(15) .
S8 O6 C50' F22 -26.0(14) .
S8 O6 C50' S8' -1.3(4) .
F22 C50 C50' O6 -135.8(12) .
F21 C50 C50' O6 110.4(11) .
F23 C50 C50' O6 -107(7) .
S8 C50 C50' O6 -10.5(11) .
S8' C50 C50' O6 -8.3(8) .
F21 C50 C50' F22 -113.9(9) .
F23 C50 C50' F22 29(6) .
S8 C50 C50' F22 125.2(9) .
S8' C50 C50' F22 127.5(8) .
F22 C50 C50' S8' -127.5(8) .
F21 C50 C50' S8' 118.7(7) .
F23 C50 C50' S8' -99(7) .
S8 C50 C50' S8' -2.3(5) .
C50 F22 C50' O6 57.8(15) .
C50 F22 C50' S8' 41.0(7) .
S8 S8' C50' O6 175.0(15) .
O5 S8' C50' O6 83.1(11) .
O4 S8' C50' O6 -103.8(9) .
C50 S8' C50' O6 168.1(12) .
S8 S8' C50' C50 6.9(15) .
O6 S8' C50' C50 -168.1(12) .
O5 S8' C50' C50 -85.0(11) .
O4 S8' C50' C50 88.2(7) .
S8 S8' C50' F22 -25.0(16) .
O6 S8' C50' F22 160.0(13) .
O5 S8' C50' F22 -116.9(9) .
O4 S8' C50' F22 56.2(9) .
C50 S8' C50' F22 -31.9(6) .
O9 S9 O7 Ag6 -140.1(6) .
O8 S9 O7 Ag6 -4.8(8) .
C51 S9 O7 Ag6 108.8(8) .
N20 Ag6 O7 S9 -174.2(4) .
N23 Ag6 O7 S9 60.4(5) .
N2 Ag6 O7 S9 -53.4(5) 1_445
O9 S9 C51 F32 -174.7(15) .
O7 S9 C51 F32 -55.5(18) .
O8 S9 C51 F32 64.4(17) .
O9 S9 C51 F31 -50.8(15) .
O7 S9 C51 F31 68.3(14) .
O8 S9 C51 F31 -171.7(13) .
O9 S9 C51 F33 68.3(14) .
O7 S9 C51 F33 -172.5(11) .
O8 S9 C51 F33 -52.6(13) .
O10 S10 C52 F41 -60.3(16) .
O12 S10 C52 F41 57.2(16) .
O11 S10 C52 F41 -178.2(14) .
O10 S10 C52 F42 57.1(15) .
O12 S10 C52 F42 174.5(14) .
O11 S10 C52 F42 -60.8(16) .
O10 S10 C52 F43 175.8(14) .
O12 S10 C52 F43 -66.7(16) .
O11 S10 C52 F43 58.0(17) .
O14 S11 C53 F53 178.5(13) .
O13 S11 C53 F53 58.6(15) .
O15 S11 C53 F53 -59.0(14) .
O14 S11 C53 F52 -54.4(16) .
O13 S11 C53 F52 -174.3(13) .
O15 S11 C53 F52 68.1(15) .
O14 S11 C53 F51 63.7(12) .
O13 S11 C53 F51 -56.2(12) .
O15 S11 C53 F51 -173.8(11) .
O17 S12 C54 F63 -61.6(14) .
O18 S12 C54 F63 61.4(13) .
O16 S12 C54 F63 -177.1(12) .
O17 S12 C54 F62 177.5(12) .
O18 S12 C54 F62 -59.4(12) .
O16 S12 C54 F62 62.0(12) .
O17 S12 C54 F61 62.3(12) .
O18 S12 C54 F61 -174.6(9) .
O16 S12 C54 F61 -53.2(11) .
