#------------------------------------------------------------------------------
#$Date: 2023-01-25 12:17:52 +0200 (Wed, 25 Jan 2023) $
#$Revision: 280601 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/65/8106594.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_8106594
loop_
_publ_author_name
'Yu, Xiao'
'Li, Yue-Xue'
'Lin, Sen'
'Cui, Yang-Zhe'
'Jin, Qiong-Hua'
_publ_section_title
;
 Crystal structure of bis(1,3-bis(diphenylphosphino)propane-κ 2
 P,P′)silver(I) trifluorosulfonate--methanol (1:0.5),
 [Ag(C27H26P2)]SO3CF3⋅0.5CH3OH
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              529
_journal_page_last               531
_journal_paper_doi               10.1515/ncrs-2016-0284
_journal_volume                  232
_journal_year                    2017
_chemical_formula_sum            'C55.5 H54 Ag F3 O3.5 P4 S'
_chemical_formula_weight         1097.80
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                109.742(2)
_cell_angle_beta                 92.8910(10)
_cell_angle_gamma                100.9980(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7859(10)
_cell_length_b                   12.8900(11)
_cell_length_c                   18.8971(17)
_cell_measurement_reflns_used    7084
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.177
_cell_measurement_theta_min      2.623
_cell_volume                     2631.9(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13239
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    0.598
_exptl_absorpt_correction_T_max  0.7788
_exptl_absorpt_correction_T_min  0.7622
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1130
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.44
_refine_diff_density_max         0.457
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     686
_refine_ls_number_reflns         9148
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0405
_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)+(0.0475P)²+2.4170P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                7183
_reflns_number_total             9148
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2016-0284_suppl.cif
_cod_data_source_block           120627c
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C55.50 H54 Ag F3 O3.50 P4 S'
_cod_database_code               8106594
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.73131(2) 0.40116(2) 0.710396(15) 0.03650(10) Uani 1 1 d U . .
F1 F 0.3067(14) 0.9805(12) 0.9439(8) 0.143(5) Uani 0.650(13) 1 d P A 1
F2 F 0.4691(9) 1.0002(11) 0.9029(5) 0.155(4) Uani 0.650(13) 1 d P A 1
F3 F 0.3806(15) 0.8346(8) 0.8936(5) 0.157(6) Uani 0.650(13) 1 d P A 1
O1 O 0.3260(12) 1.0329(9) 0.8026(5) 0.120(4) Uani 0.650(13) 1 d P A 1
O2 O 0.3395(10) 0.8411(10) 0.7475(4) 0.110(4) Uani 0.650(13) 1 d P A 1
O3 O 0.1680(8) 0.8892(10) 0.8055(6) 0.165(5) Uani 0.650(13) 1 d P A 1
F1' F 0.4602(13) 0.8906(18) 0.8893(8) 0.113(7) Uani 0.350(13) 1 d P A 2
F2' F 0.2816(15) 0.8317(12) 0.8935(8) 0.110(5) Uani 0.350(13) 1 d P A 2
F3' F 0.3654(19) 1.0060(18) 0.9535(14) 0.106(8) Uani 0.350(13) 1 d P A 2
O1' O 0.2435(18) 1.0073(17) 0.8147(9) 0.109(8) Uani 0.350(13) 1 d P A 2
O2' O 0.4123(16) 0.946(2) 0.7637(10) 0.141(7) Uani 0.350(13) 1 d P A 2
O3' O 0.244(2) 0.8089(17) 0.7576(12) 0.154(9) Uani 0.350(13) 1 d P A 2
O4 O 0.0391(11) 0.0147(12) 0.9151(9) 0.176(5) Uani 0.50 1 d P . .
H4 H 0.0817 -0.0243 0.8914 0.263 Uiso 0.50 1 calc PR . .
P1 P 0.77302(8) 0.20748(7) 0.65369(5) 0.0361(2) Uani 1 1 d U . .
P2 P 0.51586(8) 0.32974(8) 0.68705(6) 0.0405(2) Uani 1 1 d . . .
P3 P 0.84451(8) 0.57410(8) 0.69561(6) 0.0395(2) Uani 1 1 d . . .
P4 P 0.81558(9) 0.46875(8) 0.84765(5) 0.0409(2) Uani 1 1 d . . .
S1 S 0.2860(8) 0.9188(5) 0.8038(4) 0.097(2) Uani 0.650(13) 1 d P A 1
S1' S 0.3080(12) 0.9239(11) 0.7974(7) 0.085(4) Uani 0.350(13) 1 d P A 2
C1 C 0.6620(3) 0.1032(3) 0.6737(3) 0.0506(10) Uani 1 1 d . . .
H1A H 0.6768 0.0287 0.6485 0.061 Uiso 1 1 calc R . .
H1B H 0.6719 0.1181 0.7278 0.061 Uiso 1 1 calc R . .
C2 C 0.5356(4) 0.1003(3) 0.6498(3) 0.0582(11) Uani 1 1 d . . .
H2A H 0.4885 0.0277 0.6461 0.070 Uiso 1 1 calc R . .
H2B H 0.5301 0.1045 0.5995 0.070 Uiso 1 1 calc R . .
C3 C 0.4823(3) 0.1937(3) 0.7019(2) 0.0496(10) Uani 1 1 d . . .
H3A H 0.5095 0.2064 0.7541 0.059 Uiso 1 1 calc R . .
H3B H 0.3983 0.1668 0.6947 0.059 Uiso 1 1 calc R . .
C4 C 0.9099(3) 0.1881(3) 0.69145(19) 0.0381(8) Uani 1 1 d . . .
C5 C 1.0091(3) 0.2681(3) 0.6956(2) 0.0487(9) Uani 1 1 d . . .
H5 H 1.0032 0.3286 0.6805 0.058 Uiso 1 1 calc R . .
C6 C 1.1179(4) 0.2590(4) 0.7222(2) 0.0583(11) Uani 1 1 d . . .
H6 H 1.1842 0.3127 0.7242 0.070 Uiso 1 1 calc R . .
C7 C 1.1268(4) 0.1705(4) 0.7455(2) 0.0586(11) Uani 1 1 d . . .
H7 H 1.1992 0.1644 0.7635 0.070 Uiso 1 1 calc R . .
C8 C 1.0294(4) 0.0917(4) 0.7421(2) 0.0581(11) Uani 1 1 d . . .
H8 H 1.0356 0.0319 0.7580 0.070 Uiso 1 1 calc R . .
C9 C 0.9213(4) 0.1001(3) 0.7152(2) 0.0493(10) Uani 1 1 d . . .
H9 H 0.8555 0.0457 0.7131 0.059 Uiso 1 1 calc R . .
C10 C 0.7785(3) 0.1493(3) 0.5516(2) 0.0410(8) Uani 1 1 d . . .
C11 C 0.8539(4) 0.0810(3) 0.5198(2) 0.0522(10) Uani 1 1 d . . .
H11 H 0.9024 0.0606 0.5507 0.063 Uiso 1 1 calc R . .
C12 C 0.8575(4) 0.0428(4) 0.4422(3) 0.0670(13) Uani 1 1 d . . .
H12 H 0.9078 -0.0038 0.4215 0.080 Uiso 1 1 calc R . .
C13 C 0.7878(4) 0.0729(4) 0.3955(2) 0.0644(12) Uani 1 1 d . . .
H13 H 0.7917 0.0479 0.3436 0.077 Uiso 1 1 calc R . .
C14 C 0.7127(4) 0.1396(4) 0.4257(2) 0.0610(12) Uani 1 1 d . . .
H14 H 0.6649 0.1599 0.3943 0.073 Uiso 1 1 calc R . .
C15 C 0.7074(4) 0.1776(3) 0.5036(2) 0.0519(10) Uani 1 1 d . . .
H15 H 0.6554 0.2226 0.5237 0.062 Uiso 1 1 calc R . .
C16 C 0.4450(3) 0.2981(3) 0.5916(2) 0.0464(9) Uani 1 1 d . . .
C17 C 0.3423(4) 0.2175(4) 0.5618(3) 0.0671(13) Uani 1 1 d . . .
H17 H 0.3064 0.1782 0.5908 0.081 Uiso 1 1 calc R . .
C18 C 0.2926(5) 0.1955(5) 0.4882(3) 0.0851(17) Uani 1 1 d . . .
H18 H 0.2244 0.1405 0.4680 0.102 Uiso 1 1 calc R . .
C19 C 0.3434(5) 0.2539(5) 0.4460(3) 0.0827(16) Uani 1 1 d . . .
H19 H 0.3091 0.2393 0.3972 0.099 Uiso 1 1 calc R . .
C20 C 0.4444(5) 0.3338(5) 0.4747(3) 0.0755(14) Uani 1 1 d . . .
H20 H 0.4792 0.3729 0.4453 0.091 Uiso 1 1 calc R . .
C21 C 0.4952(4) 0.3569(4) 0.5479(3) 0.0586(11) Uani 1 1 d . . .
H21 H 0.5635 0.4122 0.5675 0.070 Uiso 1 1 calc R . .
C22 C 0.4261(3) 0.4144(3) 0.7475(2) 0.0478(9) Uani 1 1 d . . .
C23 C 0.4130(4) 0.4133(4) 0.8195(3) 0.0657(12) Uani 1 1 d . . .
H23 H 0.4443 0.3634 0.8360 0.079 Uiso 1 1 calc R . .
C24 C 0.3536(5) 0.4859(5) 0.8675(3) 0.0844(16) Uani 1 1 d . . .
H24 H 0.3448 0.4836 0.9156 0.101 Uiso 1 1 calc R . .
C25 C 0.3079(5) 0.5604(5) 0.8444(4) 0.0853(17) Uani 1 1 d . . .
H25 H 0.2693 0.6096 0.8771 0.102 Uiso 1 1 calc R . .
C26 C 0.3188(4) 0.5630(4) 0.7735(3) 0.0772(15) Uani 1 1 d . . .
H26 H 0.2871 0.6135 0.7576 0.093 Uiso 1 1 calc R . .
C27 C 0.3778(4) 0.4895(4) 0.7247(3) 0.0601(11) Uani 1 1 d . . .
H27 H 0.3846 0.4912 0.6763 0.072 Uiso 1 1 calc R . .
C28 C 0.9911(3) 0.6154(3) 0.7482(2) 0.0503(10) Uani 1 1 d . . .
H28A H 1.0324 0.5563 0.7257 0.060 Uiso 1 1 calc R . .
H28B H 1.0325 0.6834 0.7415 0.060 Uiso 1 1 calc R . .
C29 C 0.9964(4) 0.6372(3) 0.8335(2) 0.0538(10) Uani 1 1 d . . .
H29A H 0.9408 0.6827 0.8537 0.065 Uiso 1 1 calc R . .
H29B H 1.0733 0.6817 0.8576 0.065 Uiso 1 1 calc R . .
C30 C 0.9717(3) 0.5321(3) 0.8570(2) 0.0504(10) Uani 1 1 d . . .
H30A H 1.0050 0.5533 0.9092 0.060 Uiso 1 1 calc R . .
H30B H 1.0101 0.4759 0.8258 0.060 Uiso 1 1 calc R . .
C31 C 0.8696(3) 0.5765(3) 0.6018(2) 0.0459(9) Uani 1 1 d . . .
C32 C 0.8173(4) 0.4824(4) 0.5396(3) 0.0621(12) Uani 1 1 d . . .
H32 H 0.7752 0.4188 0.5468 0.075 Uiso 1 1 calc R . .
C33 C 0.8270(5) 0.4817(5) 0.4663(3) 0.0831(16) Uani 1 1 d . . .
H33 H 0.7910 0.4182 0.4248 0.100 Uiso 1 1 calc R . .
C34 C 0.8893(5) 0.5741(5) 0.4559(3) 0.0840(16) Uani 1 1 d . . .
H34 H 0.8952 0.5741 0.4070 0.101 Uiso 1 1 calc R . .
C35 C 0.9431(5) 0.6663(5) 0.5159(3) 0.0860(17) Uani 1 1 d . . .
H35 H 0.9863 0.7288 0.5078 0.103 Uiso 1 1 calc R . .
C36 C 0.9344(4) 0.6689(4) 0.5896(3) 0.0704(13) Uani 1 1 d . . .
H36 H 0.9721 0.7325 0.6305 0.084 Uiso 1 1 calc R . .
C37 C 0.7819(4) 0.6973(3) 0.7353(2) 0.0457(9) Uani 1 1 d . . .
C38 C 0.6614(4) 0.6814(4) 0.7253(3) 0.0589(11) Uani 1 1 d . . .
H38 H 0.6164 0.6090 0.7001 0.071 Uiso 1 1 calc R . .
C39 C 0.6068(5) 0.7702(4) 0.7519(3) 0.0754(14) Uani 1 1 d . . .
H39 H 0.5261 0.7579 0.7445 0.090 Uiso 1 1 calc R . .
C40 C 0.6731(6) 0.8770(4) 0.7894(3) 0.0829(16) Uani 1 1 d . . .
H40 H 0.6371 0.9375 0.8072 0.099 Uiso 1 1 calc R . .
C41 C 0.7926(5) 0.8951(4) 0.8010(3) 0.0782(15) Uani 1 1 d . . .
H41 H 0.8368 0.9675 0.8274 0.094 Uiso 1 1 calc R . .
C42 C 0.8472(4) 0.8060(3) 0.7734(3) 0.0607(12) Uani 1 1 d . . .
H42 H 0.9281 0.8191 0.7805 0.073 Uiso 1 1 calc R . .
C43 C 0.8094(4) 0.3611(3) 0.8908(2) 0.0487(10) Uani 1 1 d . . .
C44 C 0.7067(5) 0.3262(4) 0.9175(3) 0.0737(14) Uani 1 1 d . . .
H44 H 0.6452 0.3616 0.9163 0.088 Uiso 1 1 calc R . .
C45 C 0.6948(6) 0.2391(5) 0.9460(3) 0.0898(17) Uani 1 1 d . . .
H45 H 0.6257 0.2160 0.9636 0.108 Uiso 1 1 calc R . .
C46 C 0.7857(6) 0.1871(4) 0.9480(3) 0.0851(17) Uani 1 1 d . . .
H46 H 0.7781 0.1288 0.9672 0.102 Uiso 1 1 calc R . .
C47 C 0.8867(6) 0.2205(4) 0.9222(3) 0.0775(15) Uani 1 1 d . . .
H47 H 0.9480 0.1850 0.9238 0.093 Uiso 1 1 calc R . .
C48 C 0.8987(4) 0.3071(4) 0.8936(2) 0.0602(11) Uani 1 1 d . . .
H48 H 0.9682 0.3291 0.8760 0.072 Uiso 1 1 calc R . .
C49 C 0.7617(4) 0.5793(3) 0.9174(2) 0.0487(10) Uani 1 1 d . . .
C50 C 0.8099(5) 0.6229(4) 0.9925(3) 0.0804(15) Uani 1 1 d . . .
H50 H 0.8695 0.5948 1.0084 0.096 Uiso 1 1 calc R . .
C51 C 0.7692(6) 0.7083(5) 1.0441(3) 0.101(2) Uani 1 1 d . . .
H51 H 0.8030 0.7386 1.0943 0.121 Uiso 1 1 calc R . .
C52 C 0.6807(6) 0.7479(5) 1.0218(4) 0.0952(19) Uani 1 1 d . . .
H52 H 0.6521 0.8036 1.0571 0.114 Uiso 1 1 calc R . .
C53 C 0.6338(6) 0.7065(5) 0.9482(4) 0.0929(18) Uani 1 1 d . . .
H53 H 0.5741 0.7351 0.9329 0.111 Uiso 1 1 calc R . .
C54 C 0.6742(4) 0.6214(4) 0.8952(3) 0.0646(12) Uani 1 1 d . . .
H54 H 0.6416 0.5933 0.8447 0.078 Uiso 1 1 calc R . .
C55 C 0.3624(9) 0.9268(6) 0.8888(4) 0.102(2) Uani 1 1 d . . .
C56 C 0.040(2) 0.010(3) 0.9855(17) 0.192(11) Uani 0.50 1 d P . .
H56A H -0.0160 -0.0551 0.9851 0.288 Uiso 0.50 1 d PR . .
H56B H 0.0209 0.0772 1.0190 0.288 Uiso 0.50 1 d PR . .
H56C H 0.1163 0.0053 1.0027 0.288 Uiso 0.50 1 d PR . .
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'
P P 0.1023 0.0942 '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
P3 Ag1 P2 127.51(3) . .
P3 Ag1 P1 124.47(3) . .
P2 Ag1 P1 93.95(3) . .
P3 Ag1 P4 91.22(3) . .
P2 Ag1 P4 114.25(3) . .
P1 Ag1 P4 104.44(3) . .
C56 O4 H4 109.5 . .
C4 P1 C10 101.73(16) . .
C4 P1 C1 103.44(17) . .
C10 P1 C1 105.26(18) . .
C4 P1 Ag1 116.15(11) . .
C10 P1 Ag1 118.93(12) . .
C1 P1 Ag1 109.74(13) . .
C22 P2 C16 103.11(18) . .
C22 P2 C3 104.36(19) . .
C16 P2 C3 104.19(19) . .
C22 P2 Ag1 118.35(12) . .
C16 P2 Ag1 117.13(13) . .
C3 P2 Ag1 108.16(13) . .
C31 P3 C37 102.46(17) . .
C31 P3 C28 104.31(19) . .
C37 P3 C28 104.33(19) . .
C31 P3 Ag1 120.41(13) . .
C37 P3 Ag1 113.18(12) . .
C28 P3 Ag1 110.60(13) . .
C43 P4 C49 103.02(18) . .
C43 P4 C30 104.53(19) . .
C49 P4 C30 102.72(19) . .
C43 P4 Ag1 116.51(13) . .
C49 P4 Ag1 119.21(14) . .
C30 P4 Ag1 109.11(13) . .
O3 S1 O2 118.3(7) . .
O3 S1 O1 113.9(10) . .
O2 S1 O1 108.9(10) . .
O3 S1 C55 110.0(8) . .
O2 S1 C55 101.3(6) . .
O1 S1 C55 102.5(6) . .
O1' S1' O2' 116.7(15) . .
O1' S1' O3' 116.9(19) . .
O2' S1' O3' 109.5(16) . .
O1' S1' C55 103.5(10) . .
O2' S1' C55 103.1(10) . .
O3' S1' C55 105.3(10) . .
C2 C1 P1 116.1(3) . .
C2 C1 H1A 108.3 . .
P1 C1 H1A 108.3 . .
C2 C1 H1B 108.3 . .
P1 C1 H1B 108.3 . .
H1A C1 H1B 107.4 . .
C1 C2 C3 116.4(4) . .
C1 C2 H2A 108.2 . .
C3 C2 H2A 108.2 . .
C1 C2 H2B 108.2 . .
C3 C2 H2B 108.2 . .
H2A C2 H2B 107.4 . .
C2 C3 P2 115.3(3) . .
C2 C3 H3A 108.5 . .
P2 C3 H3A 108.5 . .
C2 C3 H3B 108.5 . .
P2 C3 H3B 108.5 . .
H3A C3 H3B 107.5 . .
C9 C4 C5 118.2(4) . .
C9 C4 P1 125.1(3) . .
C5 C4 P1 116.7(3) . .
C4 C5 C6 120.8(4) . .
C4 C5 H5 119.6 . .
C6 C5 H5 119.6 . .
C7 C6 C5 119.8(4) . .
C7 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
C8 C7 C6 119.9(4) . .
C8 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
C7 C8 C9 120.4(4) . .
C7 C8 H8 119.8 . .
C9 C8 H8 119.8 . .
C4 C9 C8 120.9(4) . .
C4 C9 H9 119.5 . .
C8 C9 H9 119.5 . .
C11 C10 C15 118.1(4) . .
C11 C10 P1 123.0(3) . .
C15 C10 P1 118.9(3) . .
C10 C11 C12 120.5(4) . .
C10 C11 H11 119.8 . .
C12 C11 H11 119.8 . .
C13 C12 C11 120.8(4) . .
C13 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
C14 C13 C12 119.5(4) . .
C14 C13 H13 120.2 . .
C12 C13 H13 120.2 . .
C13 C14 C15 120.2(4) . .
C13 C14 H14 119.9 . .
C15 C14 H14 119.9 . .
C10 C15 C14 120.8(4) . .
C10 C15 H15 119.6 . .
C14 C15 H15 119.6 . .
C21 C16 C17 118.9(4) . .
C21 C16 P2 118.9(3) . .
C17 C16 P2 122.2(3) . .
C16 C17 C18 119.9(5) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C19 C18 C17 120.4(5) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C20 120.4(5) . .
C18 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
C19 C20 C21 120.0(5) . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C16 C21 C20 120.4(4) . .
C16 C21 H21 119.8 . .
C20 C21 H21 119.8 . .
C23 C22 C27 117.9(4) . .
C23 C22 P2 121.5(3) . .
C27 C22 P2 120.3(3) . .
C22 C23 C24 120.9(5) . .
C22 C23 H23 119.5 . .
C24 C23 H23 119.5 . .
C25 C24 C23 120.3(5) . .
C25 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
C26 C25 C24 120.2(5) . .
C26 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
C25 C26 C27 119.7(5) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C22 C27 C26 120.9(5) . .
C22 C27 H27 119.5 . .
C26 C27 H27 119.5 . .
C29 C28 P3 115.9(3) . .
C29 C28 H28A 108.3 . .
P3 C28 H28A 108.3 . .
C29 C28 H28B 108.3 . .
P3 C28 H28B 108.3 . .
H28A C28 H28B 107.4 . .
C28 C29 C30 116.7(3) . .
C28 C29 H29A 108.1 . .
C30 C29 H29A 108.1 . .
C28 C29 H29B 108.1 . .
C30 C29 H29B 108.1 . .
H29A C29 H29B 107.3 . .
C29 C30 P4 113.3(3) . .
C29 C30 H30A 108.9 . .
P4 C30 H30A 108.9 . .
C29 C30 H30B 108.9 . .
P4 C30 H30B 108.9 . .
H30A C30 H30B 107.7 . .
C36 C31 C32 118.5(4) . .
C36 C31 P3 123.4(3) . .
C32 C31 P3 118.1(3) . .
C31 C32 C33 120.9(5) . .
C31 C32 H32 119.6 . .
C33 C32 H32 119.6 . .
C34 C33 C32 119.6(5) . .
C34 C33 H33 120.2 . .
C32 C33 H33 120.2 . .
C35 C34 C33 120.6(5) . .
C35 C34 H34 119.7 . .
C33 C34 H34 119.7 . .
C34 C35 C36 120.8(5) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C31 C36 C35 119.7(5) . .
C31 C36 H36 120.1 . .
C35 C36 H36 120.1 . .
C42 C37 C38 118.1(4) . .
C42 C37 P3 124.1(3) . .
C38 C37 P3 117.8(3) . .
C39 C38 C37 121.7(5) . .
C39 C38 H38 119.2 . .
C37 C38 H38 119.2 . .
C40 C39 C38 119.2(5) . .
C40 C39 H39 120.4 . .
C38 C39 H39 120.4 . .
C39 C40 C41 120.4(5) . .
C39 C40 H40 119.8 . .
C41 C40 H40 119.8 . .
C40 C41 C42 120.3(5) . .
C40 C41 H41 119.9 . .
C42 C41 H41 119.9 . .
C41 C42 C37 120.3(5) . .
C41 C42 H42 119.8 . .
C37 C42 H42 119.8 . .
C48 C43 C44 118.1(4) . .
C48 C43 P4 123.3(3) . .
C44 C43 P4 118.5(3) . .
C45 C44 C43 120.7(5) . .
C45 C44 H44 119.7 . .
C43 C44 H44 119.7 . .
C46 C45 C44 119.7(5) . .
C46 C45 H45 120.2 . .
C44 C45 H45 120.2 . .
C47 C46 C45 120.3(5) . .
C47 C46 H46 119.9 . .
C45 C46 H46 119.9 . .
C46 C47 C48 120.3(5) . .
C46 C47 H47 119.9 . .
C48 C47 H47 119.9 . .
C43 C48 C47 121.0(5) . .
C43 C48 H48 119.5 . .
C47 C48 H48 119.5 . .
C54 C49 C50 119.2(4) . .
C54 C49 P4 119.8(3) . .
C50 C49 P4 121.0(4) . .
C49 C50 C51 119.9(5) . .
C49 C50 H50 120.0 . .
C51 C50 H50 120.0 . .
C52 C51 C50 120.4(6) . .
C52 C51 H51 119.8 . .
C50 C51 H51 119.8 . .
C51 C52 C53 120.0(5) . .
C51 C52 H52 120.0 . .
C53 C52 H52 120.0 . .
C52 C53 C54 120.5(6) . .
C52 C53 H53 119.7 . .
C54 C53 H53 119.7 . .
C49 C54 C53 119.9(5) . .
C49 C54 H54 120.1 . .
C53 C54 H54 120.1 . .
F3 C55 F3' 114.3(12) . .
F3 C55 F1 112.8(11) . .
F3' C55 F1 30.7(11) . .
F3 C55 F1' 49.7(8) . .
F3' C55 F1' 107.9(13) . .
F1 C55 F1' 132.3(11) . .
F3 C55 F2 107.0(11) . .
F3' C55 F2 72.9(13) . .
F1 C55 F2 102.5(10) . .
F1' C55 F2 59.0(10) . .
F3 C55 F2' 50.3(8) . .
F3' C55 F2' 104.0(15) . .
F1 C55 F2' 80.7(10) . .
F1' C55 F2' 99.9(11) . .
F2 C55 F2' 154.6(9) . .
F3 C55 S1 117.4(8) . .
F3' C55 S1 123.8(10) . .
F1 C55 S1 105.9(10) . .
F1' C55 S1 121.6(9) . .
F2 C55 S1 110.1(6) . .
F2' C55 S1 92.8(8) . .
F3 C55 S1' 117.6(8) . .
F3' C55 S1' 126.8(11) . .
F1 C55 S1' 113.0(10) . .
F1' C55 S1' 113.8(9) . .
F2 C55 S1' 101.8(7) . .
F2' C55 S1' 100.0(9) . .
S1 C55 S1' 9.5(7) . .
C56 C56 O4 126(4) 2_557 .
C56 C56 H56A 41.6 2_557 .
O4 C56 H56A 110.3 . .
C56 C56 H56B 67.9 2_557 .
O4 C56 H56B 108.8 . .
H56A C56 H56B 109.5 . .
C56 C56 H56C 122.6 2_557 .
O4 C56 H56C 109.3 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 P3 2.4802(9) .
Ag1 P2 2.4922(10) .
Ag1 P1 2.5172(9) .
Ag1 P4 2.5211(10) .
F1 C55 1.323(16) .
F2 C55 1.375(12) .
F3 C55 1.279(10) .
O1 S1 1.464(12) .
O2 S1 1.456(10) .
O3 S1 1.375(12) .
F1' C55 1.325(15) .
F2' C55 1.433(15) .
F3' C55 1.30(2) .
O1' S1' 1.392(17) .
O2' S1' 1.44(2) .
O3' S1' 1.45(2) .
O4 C56 1.35(2) .
O4 H4 0.8200 .
P1 C4 1.825(4) .
P1 C10 1.829(4) .
P1 C1 1.839(4) .
P2 C22 1.826(4) .
P2 C16 1.827(4) .
P2 C3 1.842(4) .
P3 C31 1.821(4) .
P3 C37 1.824(4) .
P3 C28 1.837(4) .
P4 C43 1.824(4) .
P4 C49 1.825(4) .
P4 C30 1.839(4) .
S1 C55 1.763(9) .
S1' C55 1.797(12) .
C1 C2 1.525(6) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.537(6) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C9 1.379(5) .
C4 C5 1.383(5) .
C5 C6 1.394(6) .
C5 H5 0.9300 .
C6 C7 1.372(6) .
C6 H6 0.9300 .
C7 C8 1.364(6) .
C7 H7 0.9300 .
C8 C9 1.385(6) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 C11 1.386(5) .
C10 C15 1.386(5) .
C11 C12 1.386(6) .
C11 H11 0.9300 .
C12 C13 1.372(6) .
C12 H12 0.9300 .
C13 C14 1.363(6) .
C13 H13 0.9300 .
C14 C15 1.395(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C21 1.381(6) .
C16 C17 1.385(6) .
C17 C18 1.393(7) .
C17 H17 0.9300 .
C18 C19 1.357(7) .
C18 H18 0.9300 .
C19 C20 1.365(7) .
C19 H19 0.9300 .
C20 C21 1.389(6) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 C23 1.380(6) .
C22 C27 1.385(6) .
C23 C24 1.389(7) .
C23 H23 0.9300 .
C24 C25 1.364(8) .
C24 H24 0.9300 .
C25 C26 1.363(8) .
C25 H25 0.9300 .
C26 C27 1.399(6) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.537(6) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.543(5) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C36 1.383(6) .
C31 C32 1.383(6) .
C32 C33 1.392(6) .
C32 H32 0.9300 .
C33 C34 1.355(7) .
C33 H33 0.9300 .
C34 C35 1.353(8) .
C34 H34 0.9300 .
C35 C36 1.392(7) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C42 1.388(6) .
C37 C38 1.390(6) .
C38 C39 1.379(6) .
C38 H38 0.9300 .
C39 C40 1.372(7) .
C39 H39 0.9300 .
C40 C41 1.376(8) .
C40 H40 0.9300 .
C41 C42 1.385(6) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 C48 1.376(6) .
C43 C44 1.390(6) .
C44 C45 1.387(7) .
C44 H44 0.9300 .
C45 C46 1.373(8) .
C45 H45 0.9300 .
C46 C47 1.357(8) .
C46 H46 0.9300 .
C47 C48 1.383(6) .
C47 H47 0.9300 .
C48 H48 0.9300 .
C49 C54 1.363(6) .
C49 C50 1.383(6) .
C50 C51 1.384(7) .
C50 H50 0.9300 .
C51 C52 1.353(9) .
C51 H51 0.9300 .
C52 C53 1.354(8) .
C52 H52 0.9300 .
C53 C54 1.393(7) .
C53 H53 0.9300 .
C54 H54 0.9300 .
C56 C56 1.14(4) 2_557
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
P3 Ag1 P1 C4 66.87(14) . . . .
P2 Ag1 P1 C4 -151.16(13) . . . .
P4 Ag1 P1 C4 -34.86(13) . . . .
P3 Ag1 P1 C10 -55.13(14) . . . .
P2 Ag1 P1 C10 86.84(14) . . . .
P4 Ag1 P1 C10 -156.87(14) . . . .
P3 Ag1 P1 C1 -176.31(15) . . . .
P2 Ag1 P1 C1 -34.34(15) . . . .
P4 Ag1 P1 C1 81.95(15) . . . .
P3 Ag1 P2 C22 -65.05(17) . . . .
P1 Ag1 P2 C22 154.76(16) . . . .
P4 Ag1 P2 C22 46.98(16) . . . .
P3 Ag1 P2 C16 59.42(15) . . . .
P1 Ag1 P2 C16 -80.76(14) . . . .
P4 Ag1 P2 C16 171.46(14) . . . .
P3 Ag1 P2 C3 176.68(15) . . . .
P1 Ag1 P2 C3 36.49(15) . . . .
P4 Ag1 P2 C3 -71.28(15) . . . .
P2 Ag1 P3 C31 -76.93(15) . . . .
P1 Ag1 P3 C31 52.29(15) . . . .
P4 Ag1 P3 C31 160.78(15) . . . .
P2 Ag1 P3 C37 44.64(15) . . . .
P1 Ag1 P3 C37 173.85(14) . . . .
P4 Ag1 P3 C37 -77.66(15) . . . .
P2 Ag1 P3 C28 161.29(14) . . . .
P1 Ag1 P3 C28 -69.50(15) . . . .
P4 Ag1 P3 C28 38.99(15) . . . .
P3 Ag1 P4 C43 -159.52(16) . . . .
P2 Ag1 P4 C43 67.83(17) . . . .
P1 Ag1 P4 C43 -33.36(17) . . . .
P3 Ag1 P4 C49 75.92(16) . . . .
P2 Ag1 P4 C49 -56.73(16) . . . .
P1 Ag1 P4 C49 -157.92(15) . . . .
P3 Ag1 P4 C30 -41.51(14) . . . .
P2 Ag1 P4 C30 -174.16(14) . . . .
P1 Ag1 P4 C30 84.65(14) . . . .
C4 P1 C1 C2 178.8(3) . . . .
C10 P1 C1 C2 -74.9(3) . . . .
Ag1 P1 C1 C2 54.2(3) . . . .
P1 C1 C2 C3 -78.1(4) . . . .
C1 C2 C3 P2 82.2(4) . . . .
C22 P2 C3 C2 172.9(3) . . . .
C16 P2 C3 C2 65.1(3) . . . .
Ag1 P2 C3 C2 -60.3(3) . . . .
C10 P1 C4 C9 -98.3(3) . . . .
C1 P1 C4 C9 10.7(4) . . . .
Ag1 P1 C4 C9 131.0(3) . . . .
C10 P1 C4 C5 81.1(3) . . . .
C1 P1 C4 C5 -169.9(3) . . . .
Ag1 P1 C4 C5 -49.6(3) . . . .
C9 C4 C5 C6 0.8(6) . . . .
P1 C4 C5 C6 -178.7(3) . . . .
C4 C5 C6 C7 -0.8(6) . . . .
C5 C6 C7 C8 0.3(6) . . . .
C6 C7 C8 C9 0.2(6) . . . .
C5 C4 C9 C8 -0.3(6) . . . .
P1 C4 C9 C8 179.1(3) . . . .
C7 C8 C9 C4 -0.2(6) . . . .
C4 P1 C10 C11 16.2(4) . . . .
C1 P1 C10 C11 -91.4(4) . . . .
Ag1 P1 C10 C11 145.2(3) . . . .
C4 P1 C10 C15 -161.4(3) . . . .
C1 P1 C10 C15 91.0(3) . . . .
Ag1 P1 C10 C15 -32.4(4) . . . .
C15 C10 C11 C12 0.2(6) . . . .
P1 C10 C11 C12 -177.5(3) . . . .
C10 C11 C12 C13 0.8(7) . . . .
C11 C12 C13 C14 -1.1(7) . . . .
C12 C13 C14 C15 0.4(7) . . . .
C11 C10 C15 C14 -0.8(6) . . . .
P1 C10 C15 C14 176.9(3) . . . .
C13 C14 C15 C10 0.6(7) . . . .
C22 P2 C16 C21 103.6(3) . . . .
C3 P2 C16 C21 -147.7(3) . . . .
Ag1 P2 C16 C21 -28.3(4) . . . .
C22 P2 C16 C17 -76.1(4) . . . .
C3 P2 C16 C17 32.6(4) . . . .
Ag1 P2 C16 C17 152.0(3) . . . .
C21 C16 C17 C18 1.2(7) . . . .
P2 C16 C17 C18 -179.1(4) . . . .
C16 C17 C18 C19 -1.1(8) . . . .
C17 C18 C19 C20 0.8(9) . . . .
C18 C19 C20 C21 -0.7(9) . . . .
C17 C16 C21 C20 -1.1(7) . . . .
P2 C16 C21 C20 179.1(4) . . . .
C19 C20 C21 C16 0.9(8) . . . .
C16 P2 C22 C23 149.8(4) . . . .
C3 P2 C22 C23 41.2(4) . . . .
Ag1 P2 C22 C23 -79.0(4) . . . .
C16 P2 C22 C27 -36.1(4) . . . .
C3 P2 C22 C27 -144.7(3) . . . .
Ag1 P2 C22 C27 95.0(3) . . . .
C27 C22 C23 C24 -0.3(7) . . . .
P2 C22 C23 C24 173.9(4) . . . .
C22 C23 C24 C25 -0.6(8) . . . .
C23 C24 C25 C26 1.0(9) . . . .
C24 C25 C26 C27 -0.5(8) . . . .
C23 C22 C27 C26 0.8(6) . . . .
P2 C22 C27 C26 -173.5(3) . . . .
C25 C26 C27 C22 -0.4(7) . . . .
C31 P3 C28 C29 171.6(3) . . . .
C37 P3 C28 C29 64.4(3) . . . .
Ag1 P3 C28 C29 -57.6(3) . . . .
P3 C28 C29 C30 77.0(4) . . . .
C28 C29 C30 P4 -79.8(4) . . . .
C43 P4 C30 C29 -172.2(3) . . . .
C49 P4 C30 C29 -64.9(3) . . . .
Ag1 P4 C30 C29 62.5(3) . . . .
C37 P3 C31 C36 55.1(4) . . . .
C28 P3 C31 C36 -53.4(4) . . . .
Ag1 P3 C31 C36 -178.2(3) . . . .
C37 P3 C31 C32 -122.4(4) . . . .
C28 P3 C31 C32 129.0(3) . . . .
Ag1 P3 C31 C32 4.2(4) . . . .
C36 C31 C32 C33 -1.8(7) . . . .
P3 C31 C32 C33 175.9(4) . . . .
C31 C32 C33 C34 0.6(8) . . . .
C32 C33 C34 C35 0.7(9) . . . .
C33 C34 C35 C36 -0.8(9) . . . .
C32 C31 C36 C35 1.7(7) . . . .
P3 C31 C36 C35 -175.9(4) . . . .
C34 C35 C36 C31 -0.4(9) . . . .
C31 P3 C37 C42 -87.0(4) . . . .
C28 P3 C37 C42 21.5(4) . . . .
Ag1 P3 C37 C42 141.8(3) . . . .
C31 P3 C37 C38 91.6(3) . . . .
C28 P3 C37 C38 -159.8(3) . . . .
Ag1 P3 C37 C38 -39.5(3) . . . .
C42 C37 C38 C39 0.3(6) . . . .
P3 C37 C38 C39 -178.5(4) . . . .
C37 C38 C39 C40 -0.3(7) . . . .
C38 C39 C40 C41 -0.5(8) . . . .
C39 C40 C41 C42 1.4(8) . . . .
C40 C41 C42 C37 -1.4(8) . . . .
C38 C37 C42 C41 0.5(6) . . . .
P3 C37 C42 C41 179.2(4) . . . .
C49 P4 C43 C48 -134.5(4) . . . .
C30 P4 C43 C48 -27.4(4) . . . .
Ag1 P4 C43 C48 93.1(4) . . . .
C49 P4 C43 C44 50.1(4) . . . .
C30 P4 C43 C44 157.1(4) . . . .
Ag1 P4 C43 C44 -82.4(4) . . . .
C48 C43 C44 C45 -0.2(7) . . . .
P4 C43 C44 C45 175.5(4) . . . .
C43 C44 C45 C46 0.2(9) . . . .
C44 C45 C46 C47 -0.1(9) . . . .
C45 C46 C47 C48 0.0(9) . . . .
C44 C43 C48 C47 0.0(7) . . . .
P4 C43 C48 C47 -175.5(4) . . . .
C46 C47 C48 C43 0.1(8) . . . .
C43 P4 C49 C54 -128.7(4) . . . .
C30 P4 C49 C54 122.9(4) . . . .
Ag1 P4 C49 C54 2.2(4) . . . .
C43 P4 C49 C50 52.6(4) . . . .
C30 P4 C49 C50 -55.9(4) . . . .
Ag1 P4 C49 C50 -176.6(3) . . . .
C54 C49 C50 C51 -0.1(8) . . . .
P4 C49 C50 C51 178.7(5) . . . .
C49 C50 C51 C52 1.5(10) . . . .
C50 C51 C52 C53 -2.1(10) . . . .
C51 C52 C53 C54 1.4(10) . . . .
C50 C49 C54 C53 -0.6(7) . . . .
P4 C49 C54 C53 -179.4(4) . . . .
C52 C53 C54 C49 0.0(9) . . . .
O3 S1 C55 F3 83.5(13) . . . .
O2 S1 C55 F3 -42.6(14) . . . .
O1 S1 C55 F3 -155.1(14) . . . .
O3 S1 C55 F3' -71.3(19) . . . .
O2 S1 C55 F3' 162.6(17) . . . .
O1 S1 C55 F3' 50(2) . . . .
O3 S1 C55 F1 -43.6(12) . . . .
O2 S1 C55 F1 -169.6(10) . . . .
O1 S1 C55 F1 77.8(14) . . . .
O3 S1 C55 F1' 141.0(15) . . . .
O2 S1 C55 F1' 15.0(16) . . . .
O1 S1 C55 F1' -97.5(16) . . . .
O3 S1 C55 F2 -153.7(10) . . . .
O2 S1 C55 F2 80.3(10) . . . .
O1 S1 C55 F2 -32.3(13) . . . .
O3 S1 C55 F2' 37.5(10) . . . .
O2 S1 C55 F2' -88.5(10) . . . .
O1 S1 C55 F2' 159.0(12) . . . .
O3 S1 C55 S1' 177(4) . . . .
O2 S1 C55 S1' 51(3) . . . .
O1 S1 C55 S1' -61(3) . . . .
O1' S1' C55 F3 150.5(18) . . . .
O2' S1' C55 F3 -87.4(17) . . . .
O3' S1' C55 F3 27(2) . . . .
O1' S1' C55 F3' -16(3) . . . .
O2' S1' C55 F3' 106(2) . . . .
O3' S1' C55 F3' -139(2) . . . .
O1' S1' C55 F1 16(2) . . . .
O2' S1' C55 F1 138.3(15) . . . .
O3' S1' C55 F1 -107.0(16) . . . .
O1' S1' C55 F1' -154.0(18) . . . .
O2' S1' C55 F1' -32.0(18) . . . .
O3' S1' C55 F1' 83(2) . . . .
O1' S1' C55 F2 -92.9(17) . . . .
O2' S1' C55 F2 29.1(14) . . . .
O3' S1' C55 F2 143.9(15) . . . .
O1' S1' C55 F2' 100.3(17) . . . .
O2' S1' C55 F2' -137.7(14) . . . .
O3' S1' C55 F2' -22.9(16) . . . .
O1' S1' C55 S1 59(3) . . . .
O2' S1' C55 S1 -179(4) . . . .
O3' S1' C55 S1 -64(4) . . . .
