#------------------------------------------------------------------------------
#$Date: 2019-11-17 07:47:18 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228733 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/83/1548384.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_1548384
loop_
_publ_author_name
'He, Xin'
'Xue, Yang'
'Li, Cui-Cui'
'Wang, Yuechao'
'Jiang, Hong'
'Zhao, Liang'
_publ_section_title
;
 Synthesis of stable polymetalated aromatic complexes through
 metal-macrocycle capsule-triggered cyclization.
;
_journal_issue                   6
_journal_name_full               'Chemical science'
_journal_page_first              1481
_journal_page_last               1487
_journal_paper_doi               10.1039/c7sc04503d
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety
'C58 H54 Ag5 F3 N17 O3 S, 0.5(C Cl3), C H Cl3, 3(C F3 O3 S), 0.75(O), 0.5(C O)'
_chemical_formula_sum            'C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4'
_chemical_formula_weight         2317.36
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_date             2017-06-06
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2017-06-28 deposited with the CCDC.
2017-12-04 downloaded from the CCDC.
;
_cell_angle_alpha                103.51(3)
_cell_angle_beta                 90.23(3)
_cell_angle_gamma                118.57(3)
_cell_formula_units_Z            2
_cell_length_a                   13.189(3)
_cell_length_b                   13.561(3)
_cell_length_c                   28.427(6)
_cell_measurement_reflns_used    13646
_cell_measurement_temperature    173.15(10)
_cell_measurement_theta_max      27.4798
_cell_measurement_theta_min      1.7308
_cell_volume                     4302(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173.15(10)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0701
_diffrn_reflns_av_unetI/netI     0.0571
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            52869
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.77
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.447
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5185
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2283
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.608
_refine_diff_density_min         -2.364
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1169
_refine_ls_number_reflns         15156
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0795
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0757P)²+29.6736P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1949
_refine_ls_wR_factor_ref         0.2003
_reflns_number_gt                13790
_reflns_number_total             15156
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7sc04503d2.cif
_cod_data_source_block           y_CCDC4
_cod_depositor_comments
'Adding full bibliography for 1548380--1548386.cif.'
_cod_original_cell_volume        4301.6(16)
_cod_original_formula_sum        'C63 H55 Ag5 Cl4.50 F12 N17 O13.25 S4'
_cod_database_code               1548384
_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. Restrained distances
 S5-F13 = S5-F14 = S5-F15
 2.7 with sigma of 0.03
 S5-C62
 1.68 with sigma of 0.02
 C62-F13 = C62-F14 = C62-F15
 1.4 with sigma of 0.02
 O17-C67
 1.38 with sigma of 0.05
 F13-F14 \\sim F14-F15 \\sim F13-F15
 with sigma of 0.02
 S2-F6 \\sim S2-F4 \\sim S2-F5
 with sigma of 0.02
 F6-F4 \\sim F6-F5 \\sim F4-F5
 with sigma of 0.02
 O6-O5 \\sim O5-O4 \\sim O6-O4
 with sigma of 0.02
 C59-O6 \\sim C59-O5 \\sim C59-O4
 with sigma of 0.02
 Cl8-C65 \\sim Cl9-C65 \\sim Cl7-C65
 with sigma of 0.02
 Cl3-C63 \\sim Cl1-C63 \\sim Cl2-C63
 with sigma of 0.02
 Cl1-Cl2 \\sim Cl1-Cl3 \\sim Cl2-Cl3
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(F5) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(O15) \\sim Ueq: with sigma of
0.002 and sigma for terminal atoms of 0.002
4. Others
 Sof(Cl7)=Sof(Cl8)=Sof(Cl9)=Sof(C65)=Sof(H65)=1-FVAR(1)
 Sof(Cl4)=Sof(Cl5)=Sof(Cl6)=Sof(C64)=Sof(H64)=FVAR(1)
 Fixed Sof: Cl1(0.25) Cl2(0.25) Cl3(0.25) C63(0.25) Cl10(0.5) Cl11(0.25)
 C66(0.25) S2(0.75) F4(0.75) F5(0.75) F6(0.75) O4(0.75) O5(0.75) O6(0.75)
 C59(0.75) S4(0.5) F10(0.5) F11(0.5) F12(0.5) O10(0.5) O11(0.5) O12(0.5)
 C61(0.5) S5(0.75) F13(0.75) F14(0.75) F15(0.75) O13(0.75) O14(0.75) O15(0.75)
 C62(0.75) O16(0.25) O17(0.5) C67(0.5) O18(0.25) O19(0.25)
 Fixed Uiso: F15(0.15) C62(0.1)
5.a Ternary CH refined with riding coordinates:
 C64(H64), C65(H65)
5.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C3(H3), C5(H5), C6(H6), C7(H7), C8(H8), C11(H11), C12(H12), C13(H13),
 C17(H17), C18(H18), C19(H19), C23(H23), C24(H24), C25(H25), C29(H29), C30(H30),
  C31(H31), C35(H35), C36(H36), C37(H37), C41(H41), C42(H42), C43(H43),
 C47(H47), C48(H48), C49(H49), C53(H53), C54(H54), C55(H55)
5.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C21(H21A,H21B,H21C), C27(H27A,H27B,H27C), C33(H33A,H33B,
 H33C), C39(H39A,H39B,H39C), C45(H45A,H45B,H45C), C51(H51A,H51B,H51C), C57(H57A,
 H57B,H57C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Ag1 Ag -0.20944(6) 0.26905(5) 0.29835(2) 0.04138(18) Uani 1 d . . . .
Ag2 Ag -0.33045(6) 0.42368(6) 0.27756(2) 0.04123(18) Uani 1 d . . . .
Ag3 Ag -0.19724(5) 0.48613(5) 0.20485(2) 0.03723(17) Uani 1 d . . . .
Ag4 Ag -0.08125(6) 0.33086(6) 0.22452(3) 0.04633(19) Uani 1 d . . . .
Ag5 Ag -0.41492(5) 0.14263(5) 0.16967(2) 0.03357(16) Uani 1 d . . . .
S3 S -0.63861(18) -0.13329(17) 0.06977(7) 0.0359(5) Uani 1 d . . . .
F7 F -0.8383(5) -0.3271(5) 0.0533(2) 0.0700(18) Uani 1 d . . . .
F8 F -0.8372(5) -0.1818(6) 0.1036(3) 0.077(2) Uani 1 d . . . .
F9 F -0.7515(6) -0.2664(6) 0.1262(2) 0.078(2) Uani 1 d . . . .
O7 O -0.5829(6) -0.0366(5) 0.1128(2) 0.0534(17) Uani 1 d . . . .
O8 O -0.5814(6) -0.2022(6) 0.0568(3) 0.0559(17) Uani 1 d . . . .
O9 O -0.6742(6) -0.1053(6) 0.0296(2) 0.0552(17) Uani 1 d . . . .
N1 N 0.0040(7) 0.4970(7) 0.3259(3) 0.054(2) Uani 1 d . . . .
H1 H 0.0334 0.4560 0.3320 0.065 Uiso 1 calc . . R .
N2 N -0.3136(6) 0.1145(6) 0.3235(2) 0.0368(15) Uani 1 d . . . .
N3 N -0.1933(7) 0.2333(7) 0.3983(3) 0.051(2) Uani 1 d . . . .
N4 N -0.2770(6) 0.3420(6) 0.3868(3) 0.0394(16) Uani 1 d . . . .
N5 N -0.3769(7) 0.4333(6) 0.3724(3) 0.0438(17) Uani 1 d . . . .
N6 N -0.4904(6) 0.2954(6) 0.3007(2) 0.0325(14) Uani 1 d . . . .
N7 N -0.5988(6) 0.1724(5) 0.2256(2) 0.0338(15) Uani 1 d . . . .
N8 N -0.4839(5) 0.2578(5) 0.1691(2) 0.0304(14) Uani 1 d . . . .
N9 N -0.3801(6) 0.3172(5) 0.1051(2) 0.0333(15) Uani 1 d . . . .
N10 N -0.2181(6) 0.5039(6) 0.1312(2) 0.0335(15) Uani 1 d . . . .
N11 N -0.0685(6) 0.6954(6) 0.1636(3) 0.0404(17) Uani 1 d . . . .
N12 N 0.0215(6) 0.5927(6) 0.1771(3) 0.0354(15) Uani 1 d . . . .
N13 N 0.1021(6) 0.4793(6) 0.1845(3) 0.0422(17) Uani 1 d . . . .
N14 N -0.0616(6) 0.3028(6) 0.1466(2) 0.0335(15) Uani 1 d . . . .
N15 N -0.2281(6) 0.1213(6) 0.1152(2) 0.0337(15) Uani 1 d . . . .
N16 N -0.3103(6) 0.0677(5) 0.1842(2) 0.0331(15) Uani 1 d . . . .
N17 N -0.4171(6) 0.0004(6) 0.2462(3) 0.0383(16) Uani 1 d . . . .
C1 C -0.0914(7) 0.4427(7) 0.2924(3) 0.0362(18) Uani 1 d . . . .
C2 C -0.1381(7) 0.5120(7) 0.2806(3) 0.0369(18) Uani 1 d . . . .
C3 C -0.0842(7) 0.6267(7) 0.3055(3) 0.0376(19) Uani 1 d . . . .
H3 H -0.1145 0.6721 0.2987 0.045 Uiso 1 calc . . R .
C4 C 0.0136(8) 0.6804(8) 0.3404(3) 0.051(2) Uani 1 d . . . .
C5 C 0.0655(11) 0.8013(9) 0.3659(4) 0.072(3) Uani 1 d . . . .
H5 H 0.0348 0.8469 0.3599 0.087 Uiso 1 calc . . R .
C6 C 0.1626(11) 0.8474(11) 0.3995(5) 0.083(4) Uani 1 d . . . .
H6 H 0.1994 0.9265 0.4155 0.100 Uiso 1 calc . . R .
C7 C 0.2082(11) 0.7806(12) 0.4106(4) 0.080(4) Uani 1 d . . . .
H7 H 0.2730 0.8146 0.4341 0.097 Uiso 1 calc . . R .
C8 C 0.1579(9) 0.6660(10) 0.3871(4) 0.064(3) Uani 1 d . . . .
H8 H 0.1885 0.6214 0.3945 0.077 Uiso 1 calc . . R .
C9 C 0.0587(8) 0.6133(8) 0.3513(3) 0.048(2) Uani 1 d . . . .
C10 C -0.4079(7) 0.0154(7) 0.2967(3) 0.0346(18) Uani 1 d . . . .
C11 C -0.4911(8) -0.0631(8) 0.3184(3) 0.0399(19) Uani 1 d . . . .
H11 H -0.5561 -0.1297 0.2997 0.048 Uiso 1 calc . . R .
C12 C -0.4745(10) -0.0393(9) 0.3686(4) 0.057(3) Uani 1 d . . . .
H12 H -0.5301 -0.0904 0.3839 0.069 Uiso 1 calc . . R .
C13 C -0.3780(10) 0.0579(9) 0.3965(4) 0.054(3) Uani 1 d . . . .
H13 H -0.3662 0.0730 0.4303 0.065 Uiso 1 calc . . R .
C14 C -0.2997(9) 0.1318(8) 0.3722(3) 0.043(2) Uani 1 d . . . .
C15 C -0.1206(12) 0.2119(11) 0.4294(4) 0.077(4) Uani 1 d . . . .
H15A H -0.1347 0.2290 0.4626 0.115 Uiso 1 calc . . GR .
H15B H -0.0399 0.2610 0.4272 0.115 Uiso 1 calc . . GR .
H15C H -0.1399 0.1316 0.4185 0.115 Uiso 1 calc . . GR .
C16 C -0.1891(9) 0.3404(8) 0.4099(3) 0.048(2) Uani 1 d . . . .
C17 C -0.0956(10) 0.4401(10) 0.4410(4) 0.064(3) Uani 1 d . . . .
H17 H -0.0346 0.4369 0.4557 0.077 Uiso 1 calc . . R .
C18 C -0.0981(11) 0.5414(10) 0.4487(4) 0.073(3) Uani 1 d . . . .
H18 H -0.0362 0.6099 0.4681 0.088 Uiso 1 calc . . R .
C19 C -0.1925(11) 0.5442(9) 0.4280(4) 0.063(3) Uani 1 d . . . .
H19 H -0.1965 0.6127 0.4347 0.075 Uiso 1 calc . . R .
C20 C -0.2805(8) 0.4415(8) 0.3971(3) 0.042(2) Uani 1 d . . . .
C21 C -0.4122(11) 0.5234(10) 0.3909(4) 0.067(3) Uani 1 d . . . .
H21A H -0.4792 0.5063 0.3701 0.100 Uiso 1 calc . . GR .
H21B H -0.3492 0.5988 0.3911 0.100 Uiso 1 calc . . GR .
H21C H -0.4309 0.5230 0.4235 0.100 Uiso 1 calc . . GR .
C22 C -0.4729(7) 0.3202(7) 0.3494(3) 0.0359(18) Uani 1 d . . . .
C23 C -0.5417(9) 0.2462(9) 0.3755(4) 0.054(2) Uani 1 d . . . .
H23 H -0.5272 0.2658 0.4094 0.065 Uiso 1 calc . . R .
C24 C -0.6346(9) 0.1403(9) 0.3492(4) 0.056(3) Uani 1 d . . . .
H24 H -0.6820 0.0863 0.3655 0.067 Uiso 1 calc . . R .
C25 C -0.6566(8) 0.1152(8) 0.3006(4) 0.047(2) Uani 1 d . . . .
H25 H -0.7208 0.0455 0.2833 0.056 Uiso 1 calc . . R .
C26 C -0.5828(7) 0.1942(7) 0.2760(3) 0.0345(18) Uani 1 d . . . .
C27 C -0.7052(8) 0.0671(8) 0.1962(4) 0.050(2) Uani 1 d . . . .
H27A H -0.7112 -0.0012 0.2034 0.074 Uiso 1 calc . . GR .
H27B H -0.7000 0.0612 0.1621 0.074 Uiso 1 calc . . GR .
H27C H -0.7728 0.0734 0.2043 0.074 Uiso 1 calc . . GR .
C28 C -0.5516(7) 0.2651(7) 0.2031(3) 0.0319(17) Uani 1 d . . . .
C29 C -0.5756(7) 0.3561(8) 0.2150(3) 0.0397(19) Uani 1 d . . . .
H29 H -0.6215 0.3606 0.2392 0.048 Uiso 1 calc . . R .
C30 C -0.5291(7) 0.4401(7) 0.1897(3) 0.0375(19) Uani 1 d . . . .
H30 H -0.5413 0.5038 0.1976 0.045 Uiso 1 calc . . R .
C31 C -0.4650(7) 0.4294(7) 0.1530(3) 0.0358(18) Uani 1 d . . . .
H31 H -0.4358 0.4841 0.1350 0.043 Uiso 1 calc . . R .
C32 C -0.4443(6) 0.3366(6) 0.1430(3) 0.0308(17) Uani 1 d . . . .
C33 C -0.4487(9) 0.2116(7) 0.0647(3) 0.048(2) Uani 1 d . . . .
H33A H -0.4970 0.2248 0.0445 0.071 Uiso 1 calc . . GR .
H33B H -0.4969 0.1474 0.0778 0.071 Uiso 1 calc . . GR .
H33C H -0.3969 0.1937 0.0455 0.071 Uiso 1 calc . . GR .
C34 C -0.2946(7) 0.4152(7) 0.0932(3) 0.0320(17) Uani 1 d . . . .
C35 C -0.2838(7) 0.4235(8) 0.0455(3) 0.041(2) Uani 1 d . . . .
H35 H -0.3331 0.3612 0.0194 0.049 Uiso 1 calc . . R .
C36 C -0.1984(9) 0.5261(9) 0.0376(4) 0.055(3) Uani 1 d . . . .
H36 H -0.1894 0.5332 0.0059 0.066 Uiso 1 calc . . R .
C37 C -0.1267(8) 0.6181(8) 0.0766(4) 0.049(2) Uani 1 d . . . .
H37 H -0.0709 0.6886 0.0716 0.058 Uiso 1 calc . . R .
C38 C -0.1388(7) 0.6043(7) 0.1224(3) 0.0349(18) Uani 1 d . . . .
C39 C -0.0696(9) 0.8062(8) 0.1703(4) 0.055(3) Uani 1 d . . . .
H39A H 0.0054 0.8657 0.1663 0.082 Uiso 1 calc . . GR .
H39B H -0.0870 0.8289 0.2024 0.082 Uiso 1 calc . . GR .
H39C H -0.1279 0.7961 0.1464 0.082 Uiso 1 calc . . GR .
C40 C 0.0174(7) 0.6931(7) 0.1913(3) 0.0348(18) Uani 1 d . . . .
C41 C 0.0933(8) 0.7869(7) 0.2301(3) 0.043(2) Uani 1 d . . . .
H41 H 0.0883 0.8547 0.2396 0.052 Uiso 1 calc . . R .
C42 C 0.1769(7) 0.7738(8) 0.2540(4) 0.047(2) Uani 1 d . . . .
H42 H 0.2284 0.8337 0.2803 0.056 Uiso 1 calc . . R .
C43 C 0.1844(7) 0.6741(7) 0.2394(4) 0.044(2) Uani 1 d . . . .
H43 H 0.2410 0.6662 0.2551 0.053 Uiso 1 calc . . R .
C44 C 0.1048(7) 0.5847(7) 0.2004(3) 0.0380(19) Uani 1 d . . . .
C45 C 0.2062(9) 0.4711(9) 0.1962(4) 0.063(3) Uani 1 d . . . .
H45A H 0.1885 0.3913 0.1851 0.094 Uiso 1 calc . . GR .
H45B H 0.2295 0.4986 0.2309 0.094 Uiso 1 calc . . GR .
H45C H 0.2684 0.5179 0.1802 0.094 Uiso 1 calc . . GR .
C46 C 0.0321(7) 0.4009(7) 0.1405(3) 0.0381(19) Uani 1 d . . . .
C47 C 0.0560(8) 0.4174(8) 0.0946(4) 0.050(2) Uani 1 d . . . .
H47 H 0.1197 0.4849 0.0910 0.060 Uiso 1 calc . . R .
C48 C -0.0185(8) 0.3296(9) 0.0543(4) 0.051(2) Uani 1 d . . . .
H48 H -0.0042 0.3385 0.0231 0.062 Uiso 1 calc . . R .
C49 C -0.1129(8) 0.2298(8) 0.0595(3) 0.044(2) Uani 1 d . . . .
H49 H -0.1626 0.1717 0.0324 0.052 Uiso 1 calc . . R .
C50 C -0.1327(7) 0.2176(7) 0.1072(3) 0.0332(17) Uani 1 d . . . .
C51 C -0.3032(8) 0.0228(8) 0.0729(3) 0.047(2) Uani 1 d . . . .
H51A H -0.3345 0.0497 0.0514 0.071 Uiso 1 calc . . GR .
H51B H -0.3658 -0.0368 0.0841 0.071 Uiso 1 calc . . GR .
H51C H -0.2579 -0.0083 0.0557 0.071 Uiso 1 calc . . GR .
C52 C -0.2199(7) 0.0871(7) 0.1584(3) 0.0347(18) Uani 1 d . . . .
C53 C -0.1314(8) 0.0696(8) 0.1713(4) 0.045(2) Uani 1 d . . . .
H53 H -0.0708 0.0827 0.1525 0.054 Uiso 1 calc . . R .
C54 C -0.1330(8) 0.0322(8) 0.2127(3) 0.046(2) Uani 1 d . . . .
H54 H -0.0714 0.0237 0.2232 0.055 Uiso 1 calc . . R .
C55 C -0.2283(8) 0.0072(7) 0.2386(3) 0.041(2) Uani 1 d . . . .
H55 H -0.2327 -0.0213 0.2657 0.050 Uiso 1 calc . . R .
C56 C -0.3151(7) 0.0253(7) 0.2233(3) 0.0362(18) Uani 1 d . . . .
C57 C -0.5275(8) -0.0936(8) 0.2169(3) 0.050(2) Uani 1 d . . . .
H57A H -0.5353 -0.1676 0.2171 0.075 Uiso 1 calc . . GR .
H57B H -0.5280 -0.0875 0.1839 0.075 Uiso 1 calc . . GR .
H57C H -0.5912 -0.0871 0.2305 0.075 Uiso 1 calc . . GR .
C60 C -0.7732(8) -0.2311(8) 0.0891(4) 0.053(2) Uani 1 d . . . .
Cl1 Cl 0.274(2) 0.119(2) 1.0723(9) 0.145(8) Uiso 0.25 d A 2 D .
Cl2 Cl 0.1425(12) 0.1870(12) 1.1182(5) 0.079(3) Uiso 0.25 d A 2 D .
Cl3 Cl 0.2591(17) 0.2844(17) 1.0534(7) 0.120(6) Uiso 0.25 d A 2 D .
C63 C 0.184(8) 0.164(7) 1.066(3) 0.16(4) Uiso 0.25 d A 2 D .
Cl4 Cl 0.4141(7) 0.2798(4) 0.8486(2) 0.0825(17) Uani 0.800(10) d B 1 . .
Cl5 Cl 0.3758(9) 0.3340(12) 0.9470(3) 0.200(6) Uani 0.800(10) d B 1 . .
Cl6 Cl 0.5997(5) 0.4638(5) 0.9216(2) 0.117(3) Uani 0.800(10) d B 1 . .
C64 C 0.4759(15) 0.3269(14) 0.9089(6) 0.067(4) Uani 0.800(10) d B 1 . .
H64 H 0.4975 0.2712 0.9154 0.081 Uiso 0.800(10) calc B 1 R .
Cl7 Cl 0.374(2) 0.262(3) 0.8626(10) 0.090(9) Uiso 0.200(10) d B 2 D .
Cl8 Cl 0.286(2) 0.239(2) 0.9421(9) 0.107(8) Uiso 0.200(10) d B 2 D .
Cl9 Cl 0.4997(19) 0.4434(18) 0.9502(7) 0.093(7) Uiso 0.200(10) d B 2 D .
C65 C 0.413(4) 0.304(4) 0.9224(11) 0.071(18) Uiso 0.200(10) d B 2 D .
H65 H 0.4543 0.2632 0.9286 0.085 Uiso 0.200(10) calc B 2 R .
Cl10 Cl 0.0167(12) 0.1170(10) 0.5200(4) 0.140(4) Uani 0.50 d . . . .
Cl11 Cl 0.0962(13) 0.0727(11) 0.4333(5) 0.075(3) Uani 0.25 d . . . .
C66 C 0.091(4) 0.049(4) 0.4911(16) 0.061(11) Uiso 0.25 d . . . .
S1 S 0.6948(4) 0.7210(3) 0.28602(11) 0.0813(11) Uani 1 d . . . .
F1 F 0.6400(10) 0.7897(8) 0.3711(3) 0.114(3) Uani 1 d . . . .
F2 F 0.8070(9) 0.8000(7) 0.3733(3) 0.113(3) Uani 1 d . . . .
F3 F 0.7819(11) 0.9255(7) 0.3487(3) 0.126(4) Uani 1 d . . . .
O1 O 0.6408(8) 0.6060(7) 0.2925(3) 0.076(2) Uani 1 d . . . .
O2 O 0.8067(13) 0.7581(10) 0.2686(5) 0.139(5) Uani 1 d . . . .
O3 O 0.6207(12) 0.7513(9) 0.2635(4) 0.117(4) Uani 1 d . . . .
C58 C 0.7269(16) 0.8117(11) 0.3474(5) 0.088(5) Uani 1 d . . . .
S2 S 0.1378(5) 0.2954(6) 0.3049(2) 0.0910(15) Uani 0.75 d C 1 D .
F4 F 0.1361(12) 0.1817(14) 0.3646(4) 0.144(6) Uani 0.75 d C 1 D .
F5 F 0.0852(14) 0.0840(12) 0.2897(6) 0.166(6) Uani 0.75 d C 1 D U
F6 F -0.0299(10) 0.1314(10) 0.3288(4) 0.105(4) Uani 0.75 d C 1 D .
O4 O 0.0737(10) 0.2871(11) 0.2668(4) 0.087(4) Uani 0.75 d C 1 D .
O5 O 0.1229(14) 0.3765(15) 0.3540(6) 0.162(8) Uani 0.75 d C 1 D .
O6 O 0.2620(9) 0.3371(13) 0.3079(5) 0.110(5) Uani 0.75 d C 1 D .
C59 C 0.0798(15) 0.178(2) 0.3241(7) 0.098(6) Uani 0.75 d C 1 D .
S4 S 0.5634(5) 0.9002(5) 0.50063(18) 0.0590(13) Uani 0.50 d D 1 . .
F10 F 0.383(2) 0.7110(15) 0.5001(6) 0.128(8) Uani 0.50 d D 1 . .
F11 F 0.4315(16) 0.7114(17) 0.4330(6) 0.124(7) Uani 0.50 d D 1 . .
F12 F 0.503(2) 0.6780(14) 0.4840(5) 0.107(7) Uani 0.50 d D 1 . .
O10 O 0.6593(16) 0.922(2) 0.4747(6) 0.098(6) Uani 0.50 d D 1 . .
O11 O 0.4867(19) 0.940(2) 0.4883(8) 0.106(8) Uani 0.50 d . 1 . .
O12 O 0.5908(15) 0.9169(14) 0.5514(5) 0.079(5) Uani 0.50 d D 1 . .
C61 C 0.481(2) 0.754(3) 0.4803(7) 0.069(7) Uani 0.50 d D 1 . .
S5 S 0.0398(6) 0.0058(6) 1.0672(2) 0.113(2) Uani 0.75 d E 1 D .
F13 F 0.2317(6) 0.0575(7) 1.0528(3) 0.0514(18) Uiso 0.75 d E 1 D .
F14 F 0.1864(17) 0.2203(14) 1.0970(6) 0.188(8) Uiso 0.75 d E 1 D .
F15 F 0.1604(14) 0.1516(13) 1.0103(5) 0.150 Uiso 0.75 d E 1 D .
O13 O 0.044(3) -0.081(3) 1.0311(12) 0.244(12) Uani 0.75 d E 1 . U
O14 O -0.0430(15) 0.0375(18) 1.0601(7) 0.135(6) Uani 0.75 d E 1 . .
O15 O 0.071(2) 0.010(2) 1.1167(9) 0.180(8) Uani 0.75 d E 1 . U
C62 C 0.1653(15) 0.1243(15) 1.0569(6) 0.100 Uiso 0.75 d E 1 D .
O16 O 0.147(3) 0.250(3) 0.2839(10) 0.046(7) Uiso 0.25 d F 2 . .
O17 O 0.380(2) 0.626(2) 0.3172(9) 0.121(8) Uiso 0.50 d . . D .
C67 C 0.4138(19) 0.6560(19) 0.2784(8) 0.057(5) Uiso 0.50 d . . D .
O18 O 0.355(4) 0.581(4) 0.4724(17) 0.111(14) Uiso 0.25 d G 2 . .
O19 O 0.318(4) 0.441(4) 0.4578(16) 0.104(13) Uiso 0.25 d H 3 . .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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'
S S 0.1246 0.1234 '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_3
Ag4 Ag1 Ag2 87.62(3) .
N2 Ag1 Ag2 118.76(18) .
N2 Ag1 Ag4 139.42(18) .
C1 Ag1 Ag2 63.6(2) .
C1 Ag1 Ag4 52.0(2) .
C1 Ag1 N2 165.8(3) .
Ag3 Ag2 Ag1 91.25(3) .
N6 Ag2 Ag1 86.56(16) .
N6 Ag2 Ag3 148.90(18) .
C2 Ag2 Ag1 65.3(2) .
C2 Ag2 Ag3 50.8(2) .
C2 Ag2 N6 148.7(3) .
Ag2 Ag3 Ag4 88.59(3) .
N10 Ag3 Ag2 138.51(17) .
N10 Ag3 Ag4 120.10(17) .
C2 Ag3 Ag2 52.1(2) .
C2 Ag3 Ag4 63.5(2) .
C2 Ag3 N10 165.5(3) .
Ag1 Ag4 Ag3 92.53(3) .
N14 Ag4 Ag1 150.79(18) .
N14 Ag4 Ag3 85.78(17) .
N14 Ag4 C1 148.8(3) .
C1 Ag4 Ag1 50.6(2) .
C1 Ag4 Ag3 67.0(2) .
N8 Ag5 O7 96.1(2) .
N8 Ag5 N16 164.7(2) .
N16 Ag5 O7 99.1(2) .
O7 S3 O8 115.3(4) .
O7 S3 C60 102.7(4) .
O8 S3 C60 103.6(5) .
O9 S3 O7 113.9(4) .
O9 S3 O8 114.3(4) .
O9 S3 C60 105.2(5) .
S3 O7 Ag5 156.3(4) .
C1 N1 H1 117.4 .
C1 N1 C9 125.3(9) .
C9 N1 H1 117.4 .
C10 N2 Ag1 125.1(5) .
C14 N2 Ag1 114.8(6) .
C14 N2 C10 117.9(8) .
C14 N3 C15 115.8(8) .
C16 N3 C14 118.4(8) .
C16 N3 C15 119.9(8) .
C20 N4 C16 118.2(8) .
C20 N5 C21 119.3(8) .
C20 N5 C22 118.8(7) .
C22 N5 C21 113.5(8) .
C22 N6 Ag2 107.5(5) .
C22 N6 C26 118.6(7) .
C26 N6 Ag2 132.6(5) .
C26 N7 C27 119.8(7) .
C26 N7 C28 120.9(6) .
C28 N7 C27 113.3(7) .
C28 N8 Ag5 117.0(5) .
C28 N8 C32 119.2(7) .
C32 N8 Ag5 122.5(5) .
C32 N9 C33 114.9(7) .
C34 N9 C32 116.8(6) .
C34 N9 C33 117.2(7) .
C34 N10 Ag3 124.0(5) .
C38 N10 Ag3 116.3(5) .
C38 N10 C34 119.0(7) .
C38 N11 C39 117.0(7) .
C40 N11 C38 122.4(7) .
C40 N11 C39 119.2(7) .
C44 N12 C40 118.3(7) .
C44 N13 C45 119.4(7) .
C44 N13 C46 119.0(7) .
C46 N13 C45 114.5(7) .
C46 N14 Ag4 108.2(5) .
C50 N14 Ag4 131.0(5) .
C50 N14 C46 119.9(7) .
C50 N15 C51 119.0(7) .
C50 N15 C52 118.6(7) .
C52 N15 C51 113.9(7) .
C52 N16 Ag5 116.1(5) .
C52 N16 C56 118.8(7) .
C56 N16 Ag5 123.6(5) .
C10 N17 C56 118.3(7) .
C10 N17 C57 117.2(7) .
C56 N17 C57 116.1(7) .
Ag1 C1 Ag4 77.4(3) .
N1 C1 Ag1 111.5(6) .
N1 C1 Ag4 114.7(6) .
N1 C1 C2 117.6(8) .
C2 C1 Ag1 119.4(5) .
C2 C1 Ag4 109.7(5) .
Ag3 C2 Ag2 77.0(3) .
C1 C2 Ag2 111.6(5) .
C1 C2 Ag3 119.8(6) .
C3 C2 Ag2 113.4(6) .
C3 C2 Ag3 111.2(6) .
C3 C2 C1 117.3(8) .
C2 C3 H3 118.0 .
C2 C3 C4 123.9(9) .
C4 C3 H3 118.0 .
C3 C4 C5 121.4(11) .
C9 C4 C3 118.5(8) .
C9 C4 C5 120.1(10) .
C4 C5 H5 121.3 .
C6 C5 C4 117.5(13) .
C6 C5 H5 121.3 .
C5 C6 H6 118.7 .
C5 C6 C7 122.7(11) .
C7 C6 H6 118.7 .
C6 C7 H7 120.1 .
C8 C7 C6 119.8(11) .
C8 C7 H7 120.1 .
C7 C8 H8 119.8 .
C7 C8 C9 120.4(12) .
C9 C8 H8 119.8 .
N1 C9 C4 117.4(8) .
N1 C9 C8 123.1(10) .
C4 C9 C8 119.5(9) .
N2 C10 N17 115.7(7) .
N2 C10 C11 121.9(8) .
C11 C10 N17 122.4(8) .
C10 C11 H11 121.1 .
C12 C11 C10 117.8(9) .
C12 C11 H11 121.1 .
C11 C12 H12 119.2 .
C13 C12 C11 121.6(9) .
C13 C12 H12 119.2 .
C12 C13 H13 121.5 .
C14 C13 C12 116.9(9) .
C14 C13 H13 121.5 .
N2 C14 N3 115.5(8) .
N2 C14 C13 123.7(9) .
C13 C14 N3 120.7(8) .
N3 C15 H15A 109.5 .
N3 C15 H15B 109.5 .
N3 C15 H15C 109.5 .
H15A C15 H15B 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
N3 C16 C17 121.8(9) .
N4 C16 N3 114.7(8) .
N4 C16 C17 123.3(9) .
C16 C17 H17 121.4 .
C18 C17 C16 117.2(10) .
C18 C17 H17 121.4 .
C17 C18 H18 119.6 .
C17 C18 C19 120.8(10) .
C19 C18 H18 119.6 .
C18 C19 H19 121.0 .
C20 C19 C18 118.0(10) .
C20 C19 H19 121.0 .
N4 C20 N5 113.8(8) .
N4 C20 C19 122.2(9) .
C19 C20 N5 123.9(8) .
N5 C21 H21A 109.5 .
N5 C21 H21B 109.5 .
N5 C21 H21C 109.5 .
H21A C21 H21B 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
N6 C22 N5 114.1(7) .
N6 C22 C23 123.5(8) .
C23 C22 N5 122.4(8) .
C22 C23 H23 121.5 .
C22 C23 C24 117.0(9) .
C24 C23 H23 121.5 .
C23 C24 H24 119.7 .
C25 C24 C23 120.7(9) .
C25 C24 H24 119.7 .
C24 C25 H25 120.2 .
C24 C25 C26 119.6(9) .
C26 C25 H25 120.2 .
N6 C26 N7 116.8(7) .
N6 C26 C25 120.6(8) .
N7 C26 C25 122.6(8) .
N7 C27 H27A 109.5 .
N7 C27 H27B 109.5 .
N7 C27 H27C 109.5 .
H27A C27 H27B 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
N8 C28 N7 115.6(7) .
N8 C28 C29 122.2(7) .
C29 C28 N7 122.2(7) .
C28 C29 H29 121.0 .
C30 C29 C28 118.0(8) .
C30 C29 H29 121.0 .
C29 C30 H30 120.1 .
C31 C30 C29 119.9(8) .
C31 C30 H30 120.1 .
C30 C31 H31 120.4 .
C30 C31 C32 119.2(8) .
C32 C31 H31 120.4 .
N8 C32 N9 115.3(7) .
N8 C32 C31 121.4(7) .
C31 C32 N9 123.2(7) .
N9 C33 H33A 109.5 .
N9 C33 H33B 109.5 .
N9 C33 H33C 109.5 .
H33A C33 H33B 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
N10 C34 N9 116.2(7) .
N10 C34 C35 120.6(7) .
C35 C34 N9 123.2(7) .
C34 C35 H35 120.6 .
C36 C35 C34 118.7(8) .
C36 C35 H35 120.6 .
C35 C36 H36 120.0 .
C37 C36 C35 120.1(9) .
C37 C36 H36 120.0 .
C36 C37 H37 120.6 .
C38 C37 C36 118.9(8) .
C38 C37 H37 120.6 .
N10 C38 N11 116.3(7) .
N10 C38 C37 122.4(8) .
C37 C38 N11 121.3(8) .
N11 C39 H39A 109.5 .
N11 C39 H39B 109.5 .
N11 C39 H39C 109.5 .
H39A C39 H39B 109.5 .
H39A C39 H39C 109.5 .
H39B C39 H39C 109.5 .
N11 C40 C41 122.8(8) .
N12 C40 N11 114.2(7) .
N12 C40 C41 123.0(8) .
C40 C41 H41 121.7 .
C42 C41 C40 116.7(8) .
C42 C41 H41 121.7 .
C41 C42 H42 119.4 .
C43 C42 C41 121.2(8) .
C43 C42 H42 119.4 .
C42 C43 H43 120.9 .
C42 C43 C44 118.3(8) .
C44 C43 H43 120.9 .
N12 C44 N13 114.9(7) .
N12 C44 C43 122.4(8) .
N13 C44 C43 122.6(8) .
N13 C45 H45A 109.5 .
N13 C45 H45B 109.5 .
N13 C45 H45C 109.5 .
H45A C45 H45B 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 109.5 .
N14 C46 N13 113.8(8) .
N14 C46 C47 121.9(8) .
C47 C46 N13 124.3(8) .
C46 C47 H47 121.1 .
C46 C47 C48 117.8(8) .
C48 C47 H47 121.1 .
C47 C48 H48 119.3 .
C49 C48 C47 121.3(9) .
C49 C48 H48 119.3 .
C48 C49 H49 120.8 .
C48 C49 C50 118.5(8) .
C50 C49 H49 120.8 .
N14 C50 N15 117.7(7) .
N14 C50 C49 120.7(7) .
N15 C50 C49 121.6(7) .
N15 C51 H51A 109.5 .
N15 C51 H51B 109.5 .
N15 C51 H51C 109.5 .
H51A C51 H51B 109.5 .
H51A C51 H51C 109.5 .
H51B C51 H51C 109.5 .
N16 C52 N15 114.6(7) .
N16 C52 C53 122.4(8) .
C53 C52 N15 122.9(8) .
C52 C53 H53 120.5 .
C52 C53 C54 118.9(8) .
C54 C53 H53 120.5 .
C53 C54 H54 120.4 .
C53 C54 C55 119.2(8) .
C55 C54 H54 120.4 .
C54 C55 H55 120.6 .
C56 C55 C54 118.8(8) .
C56 C55 H55 120.6 .
N16 C56 N17 114.7(7) .
N16 C56 C55 121.7(8) .
C55 C56 N17 123.6(8) .
N17 C57 H57A 109.5 .
N17 C57 H57B 109.5 .
N17 C57 H57C 109.5 .
H57A C57 H57B 109.5 .
H57A C57 H57C 109.5 .
H57B C57 H57C 109.5 .
F7 C60 S3 111.5(7) .
F7 C60 F9 106.4(8) .
F8 C60 S3 112.5(7) .
F8 C60 F7 107.7(8) .
F8 C60 F9 107.4(9) .
F9 C60 S3 111.1(7) .
Cl2 C63 Cl1 107(4) .
Cl3 C63 Cl1 105(4) .
Cl3 C63 Cl2 110(4) .
Cl4 C64 Cl5 109.8(9) .
Cl4 C64 Cl6 111.6(10) .
Cl4 C64 H64 108.9 .
Cl5 C64 Cl6 108.8(9) .
Cl5 C64 H64 108.9 .
Cl6 C64 H64 108.9 .
Cl7 C65 H65 106.0 .
Cl8 C65 Cl7 102(2) .
Cl8 C65 Cl9 117(3) .
Cl8 C65 H65 106.0 .
Cl9 C65 Cl7 120(3) .
Cl9 C65 H65 106.0 .
C66 Cl10 C66 75(2) 2_556
Cl10 C66 Cl10 105(2) 2_556
Cl10 C66 Cl11 103(2) .
Cl11 C66 Cl10 105(2) 2_556
O1 S1 O2 114.5(6) .
O1 S1 C58 103.0(5) .
O2 S1 C58 104.8(8) .
O3 S1 O1 116.3(7) .
O3 S1 O2 114.3(8) .
O3 S1 C58 101.4(7) .
F1 C58 S1 115.7(13) .
F1 C58 F2 107.4(11) .
F1 C58 F3 109.0(11) .
F2 C58 S1 108.7(9) .
F3 C58 S1 111.5(9) .
F3 C58 F2 103.8(14) .
O4 S2 O5 109.3(8) .
O4 S2 O6 124.0(8) .
O4 S2 C59 112.9(8) .
O6 S2 O5 104.7(8) .
O6 S2 C59 107.2(8) .
C59 S2 O5 94.2(8) .
F4 C59 S2 116.9(15) .
F4 C59 F5 99.5(15) .
F5 C59 S2 110.4(14) .
F6 C59 S2 118.0(14) .
F6 C59 F4 107.3(17) .
F6 C59 F5 102.2(16) .
O10 S4 O11 117.7(13) .
O10 S4 O12 113.3(11) .
O10 S4 C61 101.5(12) .
O11 S4 C61 102.9(14) .
O12 S4 O11 115.9(13) .
O12 S4 C61 102.2(10) .
S4 O11 O11 120(2) 2_676
F10 C61 S4 113.0(18) .
F10 C61 F11 97(2) .
F11 C61 S4 115.9(19) .
F12 C61 S4 130(2) .
F12 C61 F10 94(2) .
F12 C61 F11 100(2) .
O13 S5 O15 115.0(17) .
O13 S5 C62 96.8(15) .
O14 S5 O13 119.5(16) .
O14 S5 O15 116.9(13) .
O14 S5 C62 100.8(11) .
O15 S5 C62 102.0(12) .
F13 C62 S5 91.2(9) .
F14 C62 S5 104.5(12) .
F14 C62 F13 124.3(14) .
F14 C62 F15 111.1(12) .
F15 C62 S5 116.9(14) .
F15 C62 F13 108.0(11) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag2 3.3264(12) .
Ag1 Ag4 2.7315(13) .
Ag1 N2 2.178(7) .
Ag1 C1 2.163(8) .
Ag2 Ag3 2.7386(13) .
Ag2 N6 2.223(7) .
Ag2 C2 2.218(8) .
Ag3 Ag4 3.2728(12) .
Ag3 N10 2.194(7) .
Ag3 C2 2.178(8) .
Ag4 N14 2.197(7) .
Ag4 C1 2.207(8) .
Ag5 O7 2.533(6) .
Ag5 N8 2.154(6) .
Ag5 N16 2.155(7) .
S3 O7 1.441(6) .
S3 O8 1.447(7) .
S3 O9 1.427(7) .
S3 C60 1.819(9) .
F7 C60 1.332(11) .
F8 C60 1.320(12) .
F9 C60 1.337(12) .
N1 H1 0.8600 .
N1 C1 1.345(11) .
N1 C9 1.380(12) .
N2 C10 1.360(11) .
N2 C14 1.345(11) .
N3 C14 1.443(12) .
N3 C15 1.471(12) .
N3 C16 1.385(12) .
N4 C16 1.342(12) .
N4 C20 1.337(11) .
N5 C20 1.393(12) .
N5 C21 1.494(12) .
N5 C22 1.432(11) .
N6 C22 1.339(10) .
N6 C26 1.344(10) .
N7 C26 1.387(11) .
N7 C27 1.491(11) .
N7 C28 1.416(10) .
N8 C28 1.337(10) .
N8 C32 1.342(10) .
N9 C32 1.427(10) .
N9 C33 1.475(10) .
N9 C34 1.390(10) .
N10 C34 1.363(10) .
N10 C38 1.344(10) .
N11 C38 1.405(11) .
N11 C39 1.477(11) .
N11 C40 1.394(11) .
N12 C40 1.354(10) .
N12 C44 1.341(11) .
N13 C44 1.377(11) .
N13 C45 1.473(12) .
N13 C46 1.405(11) .
N14 C46 1.364(10) .
N14 C50 1.350(10) .
N15 C50 1.382(10) .
N15 C51 1.478(11) .
N15 C52 1.430(10) .
N16 C52 1.350(10) .
N16 C56 1.354(11) .
N17 C10 1.399(11) .
N17 C56 1.422(11) .
N17 C57 1.469(11) .
C1 C2 1.441(12) .
C2 C3 1.359(11) .
C3 H3 0.9300 .
C3 C4 1.391(12) .
C4 C5 1.431(14) .
C4 C9 1.387(15) .
C5 H5 0.9300 .
C5 C6 1.374(17) .
C6 H6 0.9300 .
C6 C7 1.39(2) .
C7 H7 0.9300 .
C7 C8 1.351(17) .
C8 H8 0.9300 .
C8 C9 1.419(13) .
C10 C11 1.382(11) .
C11 H11 0.9300 .
C11 C12 1.379(13) .
C12 H12 0.9300 .
C12 C13 1.374(15) .
C13 H13 0.9300 .
C13 C14 1.373(14) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.403(14) .
C17 H17 0.9300 .
C17 C18 1.357(16) .
C18 H18 0.9300 .
C18 C19 1.396(16) .
C19 H19 0.9300 .
C19 C20 1.391(13) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C23 1.365(13) .
C23 H23 0.9300 .
C23 C24 1.390(14) .
C24 H24 0.9300 .
C24 C25 1.338(14) .
C25 H25 0.9300 .
C25 C26 1.393(12) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 C29 1.385(11) .
C29 H29 0.9300 .
C29 C30 1.381(12) .
C30 H30 0.9300 .
C30 C31 1.372(12) .
C31 H31 0.9300 .
C31 C32 1.378(11) .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 C35 1.388(11) .
C35 H35 0.9300 .
C35 C36 1.380(13) .
C36 H36 0.9300 .
C36 C37 1.377(14) .
C37 H37 0.9300 .
C37 C38 1.360(12) .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 C41 1.399(12) .
C41 H41 0.9300 .
C41 C42 1.395(13) .
C42 H42 0.9300 .
C42 C43 1.369(13) .
C43 H43 0.9300 .
C43 C44 1.395(12) .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 C47 1.388(13) .
C47 H47 0.9300 .
C47 C48 1.390(13) .
C48 H48 0.9300 .
C48 C49 1.374(12) .
C49 H49 0.9300 .
C49 C50 1.412(12) .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C52 C53 1.363(12) .
C53 H53 0.9300 .
C53 C54 1.384(13) .
C54 H54 0.9300 .
C54 C55 1.397(13) .
C55 H55 0.9300 .
C55 C56 1.370(12) .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
Cl1 C63 1.60(5) .
Cl2 C63 1.59(4) .
Cl3 C63 1.58(5) .
Cl4 C64 1.728(16) .
Cl5 C64 1.736(17) .
Cl6 C64 1.739(18) .
C64 H64 0.9800 .
Cl7 C65 1.66(3) .
Cl8 C65 1.65(3) .
Cl9 C65 1.66(3) .
C65 H65 0.9800 .
Cl10 C66 1.74(5) .
Cl10 C66 1.95(5) 2_556
Cl11 C66 1.74(5) .
C66 Cl10 1.95(5) 2_556
S1 O1 1.430(8) .
S1 O2 1.446(13) .
S1 O3 1.427(11) .
S1 C58 1.797(13) .
F1 C58 1.277(18) .
F2 C58 1.376(17) .
F3 C58 1.345(14) .
S2 O4 1.321(11) .
S2 O5 1.640(15) .
S2 O6 1.449(12) .
S2 C59 1.63(2) .
F4 C59 1.347(19) .
F5 C59 1.45(2) .
F6 C59 1.294(19) .
S4 O10 1.407(18) .
S4 O11 1.42(2) .
S4 O12 1.424(15) .
S4 C61 1.69(3) .
F10 C61 1.33(3) .
F11 C61 1.36(3) .
F12 C61 1.22(3) .
O11 O11 1.48(5) 2_676
S5 O13 1.39(3) .
S5 O14 1.380(15) .
S5 O15 1.45(2) .
S5 C62 1.757(16) .
F13 C62 1.520(16) .
F14 C62 1.425(17) .
F15 C62 1.463(16) .
O17 C67 1.28(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
_geom_torsion_site_symmetry_4
Ag1 Ag2 Ag3 Ag4 0.73(2) . .
Ag1 Ag2 Ag3 N10 137.6(3) . .
Ag1 Ag2 Ag3 C2 -56.1(3) . .
Ag1 Ag2 N6 C22 76.4(5) . .
Ag1 Ag2 N6 C26 -89.7(7) . .
Ag1 Ag2 C2 Ag3 114.0(2) . .
Ag1 Ag2 C2 C1 -3.2(5) . .
Ag1 Ag2 C2 C3 -138.2(7) . .
Ag1 Ag4 N14 C46 165.5(4) . .
Ag1 Ag4 N14 C50 -4.0(9) . .
Ag1 Ag4 C1 N1 108.1(7) . .
Ag1 Ag4 C1 C2 -117.0(6) . .
Ag1 N2 C10 N17 19.0(10) . .
Ag1 N2 C10 C11 -158.9(6) . .
Ag1 N2 C14 N3 -20.9(9) . .
Ag1 N2 C14 C13 160.9(8) . .
Ag1 C1 C2 Ag2 5.1(8) . .
Ag1 C1 C2 Ag3 -81.9(7) . .
Ag1 C1 C2 C3 138.3(7) . .
Ag2 Ag1 Ag4 Ag3 0.74(2) . .
Ag2 Ag1 Ag4 N14 -85.1(3) . .
Ag2 Ag1 Ag4 C1 57.9(3) . .
Ag2 Ag1 N2 C10 67.0(7) . .
Ag2 Ag1 N2 C14 -95.7(6) . .
Ag2 Ag1 C1 Ag4 -109.2(2) . .
Ag2 Ag1 C1 N1 139.0(7) . .
Ag2 Ag1 C1 C2 -3.5(5) . .
Ag2 Ag3 Ag4 Ag1 -0.90(3) . .
Ag2 Ag3 Ag4 N14 149.89(18) . .
Ag2 Ag3 Ag4 C1 -45.7(2) . .
Ag2 Ag3 N10 C34 -58.6(7) . .
Ag2 Ag3 N10 C38 130.9(5) . .
Ag2 Ag3 C2 C1 107.6(7) . .
Ag2 Ag3 C2 C3 -110.4(7) . .
Ag2 N6 C22 N5 15.6(8) . .
Ag2 N6 C22 C23 -166.0(8) . .
Ag2 N6 C26 N7 -16.0(10) . .
Ag2 N6 C26 C25 162.8(6) . .
Ag2 C2 C3 C4 133.6(8) . .
Ag3 Ag2 N6 C22 163.1(4) . .
Ag3 Ag2 N6 C26 -3.0(9) . .
Ag3 Ag2 C2 C1 -117.2(6) . .
Ag3 Ag2 C2 C3 107.8(7) . .
Ag3 Ag4 N14 C46 77.8(5) . .
Ag3 Ag4 N14 C50 -91.6(7) . .
Ag3 Ag4 C1 Ag1 114.3(2) . .
Ag3 Ag4 C1 N1 -137.6(7) . .
Ag3 Ag4 C1 C2 -2.7(5) . .
Ag3 N10 C34 N9 14.6(10) . .
Ag3 N10 C34 C35 -163.9(6) . .
Ag3 N10 C38 N11 -13.8(9) . .
Ag3 N10 C38 C37 166.5(7) . .
Ag3 C2 C3 C4 -141.8(8) . .
Ag4 Ag1 Ag2 Ag3 -0.88(3) . .
Ag4 Ag1 Ag2 N6 148.07(18) . .
Ag4 Ag1 Ag2 C2 -46.0(2) . .
Ag4 Ag1 N2 C10 -57.6(7) . .
Ag4 Ag1 N2 C14 139.7(5) . .
Ag4 Ag1 C1 N1 -111.9(7) . .
Ag4 Ag1 C1 C2 105.6(7) . .
Ag4 Ag3 N10 C34 69.2(6) . .
Ag4 Ag3 N10 C38 -101.3(5) . .
Ag4 Ag3 C2 Ag2 -110.7(2) . .
Ag4 Ag3 C2 C1 -3.1(5) . .
Ag4 Ag3 C2 C3 138.9(7) . .
Ag4 N14 C46 N13 12.5(8) . .
Ag4 N14 C46 C47 -169.6(7) . .
Ag4 N14 C50 N15 -10.0(11) . .
Ag4 N14 C50 C49 167.0(6) . .
Ag4 C1 C2 Ag2 91.4(5) . .
Ag4 C1 C2 Ag3 4.3(7) . .
Ag4 C1 C2 C3 -135.5(7) . .
Ag5 N8 C28 N7 -18.5(9) . .
Ag5 N8 C28 C29 162.5(6) . .
Ag5 N8 C32 N9 17.9(9) . .
Ag5 N8 C32 C31 -161.9(6) . .
Ag5 N16 C52 N15 -18.9(8) . .
Ag5 N16 C52 C53 164.2(7) . .
Ag5 N16 C56 N17 18.4(9) . .
Ag5 N16 C56 C55 -162.4(6) . .
O7 Ag5 N8 C28 90.1(6) . .
O7 Ag5 N8 C32 -103.0(6) . .
O7 Ag5 N16 C52 99.6(6) . .
O7 Ag5 N16 C56 -94.5(6) . .
O7 S3 C60 F7 179.4(7) . .
O7 S3 C60 F8 58.3(8) . .
O7 S3 C60 F9 -62.1(8) . .
O8 S3 O7 Ag5 46.7(12) . .
O8 S3 C60 F7 -60.3(8) . .
O8 S3 C60 F8 178.6(7) . .
O8 S3 C60 F9 58.2(8) . .
O9 S3 O7 Ag5 -88.3(12) . .
O9 S3 C60 F7 60.0(9) . .
O9 S3 C60 F8 -61.2(8) . .
O9 S3 C60 F9 178.5(7) . .
N1 C1 C2 Ag2 -135.2(7) . .
N1 C1 C2 Ag3 137.8(7) . .
N1 C1 C2 C3 -2.0(12) . .
N2 Ag1 Ag2 Ag3 -148.5(2) . .
N2 Ag1 Ag2 N6 0.5(3) . .
N2 Ag1 Ag2 C2 166.4(3) . .
N2 Ag1 Ag4 Ag3 134.5(3) . .
N2 Ag1 Ag4 N14 48.6(5) . .
N2 Ag1 Ag4 C1 -168.4(4) . .
N2 Ag1 C1 Ag4 147.6(10) . .
N2 Ag1 C1 N1 35.8(15) . .
N2 Ag1 C1 C2 -106.7(12) . .
N2 C10 C11 C12 -1.4(13) . .
N3 C16 C17 C18 177.9(11) . .
N4 C16 C17 C18 2.2(17) . .
N5 C22 C23 C24 177.9(9) . .
N6 Ag2 Ag3 Ag4 -84.7(3) . .
N6 Ag2 Ag3 N10 52.2(4) . .
N6 Ag2 Ag3 C2 -141.5(4) . .
N6 Ag2 C2 Ag3 141.8(4) . .
N6 Ag2 C2 C1 24.6(9) . .
N6 Ag2 C2 C3 -110.4(7) . .
N6 C22 C23 C24 -0.3(14) . .
N7 C28 C29 C30 -177.5(8) . .
N8 Ag5 O7 S3 121.3(11) . .
N8 Ag5 N16 C52 -84.5(11) . .
N8 Ag5 N16 C56 81.4(11) . .
N8 C28 C29 C30 1.3(13) . .
N9 C34 C35 C36 177.8(8) . .
N10 Ag3 Ag4 Ag1 -149.3(2) . .
N10 Ag3 Ag4 N14 1.5(3) . .
N10 Ag3 Ag4 C1 165.9(3) . .
N10 Ag3 C2 Ag2 141.4(10) . .
N10 Ag3 C2 C1 -111.0(11) . .
N10 Ag3 C2 C3 31.0(15) . .
N10 C34 C35 C36 -3.8(13) . .
N11 C40 C41 C42 -178.5(8) . .
N12 C40 C41 C42 0.9(12) . .
N13 C46 C47 C48 177.1(9) . .
N14 Ag4 C1 Ag1 145.5(4) . .
N14 Ag4 C1 N1 -106.4(8) . .
N14 Ag4 C1 C2 28.5(8) . .
N14 C46 C47 C48 -0.6(14) . .
N15 C52 C53 C54 -177.5(8) . .
N16 Ag5 O7 S3 -59.8(11) . .
N16 Ag5 N8 C28 -85.8(11) . .
N16 Ag5 N8 C32 81.0(11) . .
N16 C52 C53 C54 -0.9(13) . .
N17 C10 C11 C12 -179.1(8) . .
C1 Ag1 Ag2 Ag3 47.3(2) . .
C1 Ag1 Ag2 N6 -163.7(3) . .
C1 Ag1 Ag2 C2 2.2(3) . .
C1 Ag1 Ag4 Ag3 -57.1(3) . .
C1 Ag1 Ag4 N14 -143.0(4) . .
C1 Ag1 N2 C10 162.8(10) . .
C1 Ag1 N2 C14 0.1(15) . .
C1 Ag4 N14 C46 49.2(8) . .
C1 Ag4 N14 C50 -120.2(7) . .
C1 N1 C9 C4 -2.0(14) . .
C1 N1 C9 C8 178.6(9) . .
C1 C2 C3 C4 1.2(13) . .
C2 Ag2 Ag3 Ag4 56.8(3) . .
C2 Ag2 Ag3 N10 -166.3(4) . .
C2 Ag2 N6 C22 51.3(8) . .
C2 Ag2 N6 C26 -114.8(8) . .
C2 Ag3 Ag4 Ag1 46.7(2) . .
C2 Ag3 Ag4 N14 -162.5(3) . .
C2 Ag3 Ag4 C1 1.9(3) . .
C2 Ag3 N10 C34 169.4(10) . .
C2 Ag3 N10 C38 -1.1(14) . .
C2 C3 C4 C5 -179.1(9) . .
C2 C3 C4 C9 -0.8(14) . .
C3 C4 C5 C6 -179.4(11) . .
C3 C4 C9 N1 1.0(14) . .
C3 C4 C9 C8 -179.6(9) . .
C4 C5 C6 C7 -2(2) . .
C5 C4 C9 N1 179.3(9) . .
C5 C4 C9 C8 -1.2(15) . .
C5 C6 C7 C8 1(2) . .
C6 C7 C8 C9 -0.2(19) . .
C7 C8 C9 N1 179.6(11) . .
C7 C8 C9 C4 0.1(16) . .
C9 N1 C1 Ag1 -140.8(8) . .
C9 N1 C1 Ag4 133.7(8) . .
C9 N1 C1 C2 2.5(13) . .
C9 C4 C5 C6 2.4(17) . .
C10 N2 C14 N3 175.1(7) . .
C10 N2 C14 C13 -3.1(13) . .
C10 N17 C56 N16 -147.4(7) . .
C10 N17 C56 C55 33.5(11) . .
C10 C11 C12 C13 -1.0(15) . .
C11 C12 C13 C14 1.3(15) . .
C12 C13 C14 N2 0.8(15) . .
C12 C13 C14 N3 -177.2(9) . .
C14 N2 C10 N17 -178.8(7) . .
C14 N2 C10 C11 3.4(12) . .
C14 N3 C16 N4 -13.1(13) . .
C14 N3 C16 C17 170.8(9) . .
C15 N3 C14 N2 -124.8(10) . .
C15 N3 C14 C13 53.4(13) . .
C15 N3 C16 N4 -164.8(10) . .
C15 N3 C16 C17 19.1(16) . .
C16 N3 C14 N2 82.4(11) . .
C16 N3 C14 C13 -99.4(11) . .
C16 N4 C20 N5 -178.1(8) . .
C16 N4 C20 C19 4.6(14) . .
C16 C17 C18 C19 2.6(19) . .
C17 C18 C19 C20 -3.6(19) . .
C18 C19 C20 N4 -0.1(17) . .
C18 C19 C20 N5 -177.1(10) . .
C20 N4 C16 N3 178.2(8) . .
C20 N4 C16 C17 -5.7(15) . .
C20 N5 C22 N6 -114.6(9) . .
C20 N5 C22 C23 67.0(12) . .
C21 N5 C20 N4 161.3(9) . .
C21 N5 C20 C19 -21.4(14) . .
C21 N5 C22 N6 97.4(9) . .
C21 N5 C22 C23 -81.0(11) . .
C22 N5 C20 N4 15.2(12) . .
C22 N5 C20 C19 -167.6(9) . .
C22 N6 C26 N7 179.1(7) . .
C22 N6 C26 C25 -2.0(11) . .
C22 C23 C24 C25 -2.2(16) . .
C23 C24 C25 C26 2.6(15) . .
C24 C25 C26 N6 -0.5(13) . .
C24 C25 C26 N7 178.3(9) . .
C26 N6 C22 N5 -176.0(7) . .
C26 N6 C22 C23 2.4(12) . .
C26 N7 C28 N8 125.6(8) . .
C26 N7 C28 C29 -55.5(11) . .
C27 N7 C26 N6 -174.5(7) . .
C27 N7 C26 C25 6.7(12) . .
C27 N7 C28 N8 -81.7(9) . .
C27 N7 C28 C29 97.2(9) . .
C28 N7 C26 N6 -23.6(10) . .
C28 N7 C26 C25 157.6(8) . .
C28 N8 C32 N9 -175.5(6) . .
C28 N8 C32 C31 4.7(11) . .
C28 C29 C30 C31 2.3(13) . .
C29 C30 C31 C32 -2.4(13) . .
C30 C31 C32 N8 -1.2(12) . .
C30 C31 C32 N9 179.1(7) . .
C32 N8 C28 N7 174.1(6) . .
C32 N8 C28 C29 -4.8(12) . .
C32 N9 C34 N10 49.9(10) . .
C32 N9 C34 C35 -131.7(8) . .
C33 N9 C32 N8 66.4(9) . .
C33 N9 C32 C31 -113.8(9) . .
C33 N9 C34 N10 -168.0(7) . .
C33 N9 C34 C35 10.5(12) . .
C34 N9 C32 N8 -150.5(7) . .
C34 N9 C32 C31 29.2(11) . .
C34 N10 C38 N11 175.2(7) . .
C34 N10 C38 C37 -4.5(12) . .
C34 C35 C36 C37 -0.6(15) . .
C35 C36 C37 C38 2.4(15) . .
C36 C37 C38 N10 0.2(14) . .
C36 C37 C38 N11 -179.6(9) . .
C38 N10 C34 N9 -175.1(7) . .
C38 N10 C34 C35 6.4(11) . .
C38 N11 C40 N12 -4.1(11) . .
C38 N11 C40 C41 175.3(8) . .
C39 N11 C38 N10 -123.1(9) . .
C39 N11 C38 C37 56.6(11) . .
C39 N11 C40 N12 -170.4(8) . .
C39 N11 C40 C41 9.1(12) . .
C40 N11 C38 N10 70.4(10) . .
C40 N11 C38 C37 -109.8(10) . .
C40 N12 C44 N13 178.9(7) . .
C40 N12 C44 C43 2.1(12) . .
C40 C41 C42 C43 0.8(13) . .
C41 C42 C43 C44 -1.0(14) . .
C42 C43 C44 N12 -0.5(13) . .
C42 C43 C44 N13 -177.1(8) . .
C44 N12 C40 N11 177.1(7) . .
C44 N12 C40 C41 -2.4(12) . .
C44 N13 C46 N14 -111.3(8) . .
C44 N13 C46 C47 70.8(11) . .
C45 N13 C44 N12 161.9(9) . .
C45 N13 C44 C43 -21.2(13) . .
C45 N13 C46 N14 98.2(9) . .
C45 N13 C46 C47 -79.7(11) . .
C46 N13 C44 N12 12.9(11) . .
C46 N13 C44 C43 -170.3(8) . .
C46 N14 C50 N15 -178.4(7) . .
C46 N14 C50 C49 -1.5(11) . .
C46 C47 C48 C49 0.1(15) . .
C47 C48 C49 C50 -0.4(15) . .
C48 C49 C50 N14 1.1(13) . .
C48 C49 C50 N15 177.9(8) . .
C50 N14 C46 N13 -176.7(7) . .
C50 N14 C46 C47 1.2(12) . .
C50 N15 C52 N16 131.1(7) . .
C50 N15 C52 C53 -52.1(11) . .
C51 N15 C50 N14 -175.8(7) . .
C51 N15 C50 C49 7.3(12) . .
C51 N15 C52 N16 -81.3(9) . .
C51 N15 C52 C53 95.5(10) . .
C52 N15 C50 N14 -29.8(10) . .
C52 N15 C50 C49 153.3(8) . .
C52 N16 C56 N17 -176.0(7) . .
C52 N16 C56 C55 3.1(12) . .
C52 C53 C54 C55 3.5(14) . .
C53 C54 C55 C56 -2.8(13) . .
C54 C55 C56 N16 -0.6(13) . .
C54 C55 C56 N17 178.5(8) . .
C56 N16 C52 N15 174.4(6) . .
C56 N16 C52 C53 -2.4(12) . .
C56 N17 C10 N2 43.8(10) . .
C56 N17 C10 C11 -138.3(8) . .
C57 N17 C10 N2 -169.1(8) . .
C57 N17 C10 C11 8.7(12) . .
C57 N17 C56 N16 65.2(10) . .
C57 N17 C56 C55 -113.9(9) . .
C60 S3 O7 Ag5 158.5(11) . .
C66 Cl10 C66 Cl10 0.001(2) 2_556 2_556
C66 Cl10 C66 Cl11 109(3) 2_556 .
O1 S1 C58 F1 -56.4(11) . .
O1 S1 C58 F2 64.5(12) . .
O1 S1 C58 F3 178.3(12) . .
O2 S1 C58 F1 -176.5(10) . .
O2 S1 C58 F2 -55.6(12) . .
O2 S1 C58 F3 58.2(14) . .
O3 S1 C58 F1 64.3(11) . .
O3 S1 C58 F2 -174.9(10) . .
O3 S1 C58 F3 -61.0(14) . .
O4 S2 C59 F4 -176.3(13) . .
O4 S2 C59 F5 71.0(13) . .
O4 S2 C59 F6 -45.9(18) . .
O5 S2 C59 F4 -63.3(15) . .
O5 S2 C59 F5 -176.0(12) . .
O5 S2 C59 F6 67.1(16) . .
O6 S2 C59 F4 43.6(17) . .
O6 S2 C59 F5 -69.1(13) . .
O6 S2 C59 F6 173.9(13) . .
O10 S4 O11 O11 -86(3) . 2_676
O10 S4 C61 F10 180.0(18) . .
O10 S4 C61 F11 -69(2) . .
O10 S4 C61 F12 62(2) . .
O11 S4 C61 F10 -58(2) . .
O11 S4 C61 F11 53(2) . .
O11 S4 C61 F12 -176(2) . .
O12 S4 O11 O11 53(3) . 2_676
O12 S4 C61 F10 63(2) . .
O12 S4 C61 F11 173.6(19) . .
O12 S4 C61 F12 -55(2) . .
C61 S4 O11 O11 163(2) . 2_676
O13 S5 C62 F13 -43.9(16) . .
O13 S5 C62 F14 -169.9(17) . .
O13 S5 C62 F15 67.0(18) . .
O14 S5 C62 F13 -165.8(11) . .
O14 S5 C62 F14 68.2(14) . .
O14 S5 C62 F15 -54.9(14) . .
O15 S5 C62 F13 73.5(12) . .
O15 S5 C62 F14 -52.5(15) . .
O15 S5 C62 F15 -175.6(14) . .
