#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:28:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179112 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/74/4307490.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_4307490
loop_
_publ_author_name
'Maribel Arroyo'
'Sylvain Bernès'
'Margarita Cerón'
'Verónica Cortina'
'Consuelo Mendoza'
'Hugo Torrens'
_publ_contact_author_address
;
Centro de Química del Instituto de Ciencias de la BUAP 
Edificio 193 del Complejo de Ciencias 
Ciudad Universitaria 
San Manuel 
72571 Puebla, Pue. 
Mexico
;
_publ_contact_author_email       slarroyo@siu.buap.mx
_publ_contact_author_fax         (52)2222295551
_publ_contact_author_name        'Arroyo, Maribel'
_publ_contact_author_phone       (52)2222295500x7293
_publ_section_title
;
Carbon-Fluorine Bond Cleavage in the Preparation of Osmium(III) and
Osmium(IV) Fluorothiolate Complexes. Fluorine by Fluorine NMR-Assignment
and Fluxional Processes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4857
_journal_page_last               4867
_journal_paper_doi               10.1021/ic0619660
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C36 H18 F11 O Os P S3'
_chemical_formula_sum            'C36 H18 F11 O Os P S3'
_chemical_formula_weight         992.85
_chemical_melting_point          443
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2006-02-15
_audit_creation_method           SHELXTL-Plus
_cell_angle_alpha                90.00
_cell_angle_beta                 100.694(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3807(11)
_cell_length_b                   22.029(3)
_cell_length_c                   15.8319(17)
_cell_measurement_reflns_used    72
_cell_measurement_temperature    296(1)
_cell_measurement_theta_max      12.42
_cell_measurement_theta_min      4.72
_cell_volume                     3557.5(7)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1996)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  SHELXTL-Plus
_computing_structure_refinement  SHELXTL-Plus
_computing_structure_solution    'SHELXTL-Plus (Sheldrick, 1998)'
_diffrn_ambient_temperature      296(1)
_diffrn_detector                 'Scintillation counter'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0560
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9592
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.00
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30
_diffrn_source_power             1.5
_diffrn_source_type              FN4
_diffrn_source_voltage           50
_diffrn_standards_decay_%        2.5
_diffrn_standards_interval_count 48
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    3.894
_exptl_absorpt_correction_T_max  0.625
_exptl_absorpt_correction_T_min  0.429
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'XSCAnS (Bruker, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.737
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       0.00033(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXTL-Plus
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         6274
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0219P)²+1.2005P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0600
_refine_ls_wR_factor_ref         0.0674
_reflns_number_gt                4603
_reflns_number_total             6274
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic0619660si20061013_021620_1.cif
_cod_data_source_block           ted1f1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4307490
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Os1 Os 0.526781(19) 0.614616(10) 0.732612(11) 0.03451(8) Uani 1 1 d . . .
P1 P 0.35610(12) 0.61868(7) 0.61389(7) 0.0347(3) Uani 1 1 d . . .
S1 S 0.39659(12) 0.64471(7) 0.81856(7) 0.0433(3) Uani 1 1 d . . .
S2 S 0.64375(13) 0.68171(7) 0.67411(8) 0.0490(4) Uani 1 1 d . . .
S3 S 0.54489(14) 0.51594(7) 0.71123(8) 0.0521(4) Uani 1 1 d . . .
C1 C 0.4010(5) 0.6371(2) 0.5104(3) 0.0371(12) Uani 1 1 d . . .
C2 C 0.3256(6) 0.6754(3) 0.4528(3) 0.0606(17) Uani 1 1 d . . .
H2A H 0.2512 0.6931 0.4669 0.073 Uiso 1 1 calc R . .
C3 C 0.3592(7) 0.6878(3) 0.3739(4) 0.077(2) Uani 1 1 d . . .
H3A H 0.3069 0.7133 0.3351 0.092 Uiso 1 1 calc R . .
C4 C 0.4695(7) 0.6622(3) 0.3532(4) 0.075(2) Uani 1 1 d . . .
H4A H 0.4937 0.6713 0.3009 0.090 Uiso 1 1 calc R . .
C5 C 0.5446(6) 0.6232(3) 0.4100(4) 0.0700(19) Uani 1 1 d . . .
H5A H 0.6181 0.6050 0.3951 0.084 Uiso 1 1 calc R . .
C6 C 0.5118(6) 0.6107(3) 0.4887(3) 0.0547(15) Uani 1 1 d . . .
H6A H 0.5637 0.5847 0.5271 0.066 Uiso 1 1 calc R . .
C7 C 0.2316(5) 0.6762(2) 0.6226(3) 0.0352(12) Uani 1 1 d . . .
C8 C 0.0983(5) 0.6649(3) 0.5986(3) 0.0521(15) Uani 1 1 d . . .
H8A H 0.0690 0.6258 0.5836 0.063 Uiso 1 1 calc R . .
C9 C 0.0095(6) 0.7113(4) 0.5969(4) 0.0676(19) Uani 1 1 d . . .
H9A H -0.0794 0.7036 0.5788 0.081 Uiso 1 1 calc R . .
C10 C 0.0508(7) 0.7692(4) 0.6218(4) 0.072(2) Uani 1 1 d . . .
H10A H -0.0097 0.8003 0.6221 0.087 Uiso 1 1 calc R . .
C11 C 0.1835(7) 0.7804(3) 0.6463(4) 0.0643(18) Uani 1 1 d . . .
H11A H 0.2121 0.8194 0.6625 0.077 Uiso 1 1 calc R . .
C12 C 0.2739(6) 0.7348(3) 0.6473(3) 0.0524(15) Uani 1 1 d . . .
H12A H 0.3629 0.7429 0.6643 0.063 Uiso 1 1 calc R . .
C13 C 0.2630(5) 0.5483(2) 0.5943(3) 0.0387(12) Uani 1 1 d . . .
C14 C 0.2142(5) 0.5216(3) 0.6606(3) 0.0529(15) Uani 1 1 d . . .
H14A H 0.2311 0.5392 0.7150 0.063 Uiso 1 1 calc R . .
C15 C 0.1400(6) 0.4687(3) 0.6474(4) 0.0606(17) Uani 1 1 d . . .
H15A H 0.1065 0.4513 0.6923 0.073 Uiso 1 1 calc R . .
C16 C 0.1169(6) 0.4426(3) 0.5676(4) 0.0676(19) Uani 1 1 d . . .
H16A H 0.0668 0.4074 0.5584 0.081 Uiso 1 1 calc R . .
C17 C 0.1664(6) 0.4675(3) 0.5014(4) 0.0644(18) Uani 1 1 d . . .
H17A H 0.1525 0.4487 0.4479 0.077 Uiso 1 1 calc R . .
C18 C 0.2366(5) 0.5203(3) 0.5144(3) 0.0503(15) Uani 1 1 d . . .
H18A H 0.2674 0.5379 0.4685 0.060 Uiso 1 1 calc R . .
C19 C 0.5039(5) 0.6438(3) 0.9186(3) 0.0425(13) Uani 1 1 d . . .
C20 C 0.6329(5) 0.6273(2) 0.9161(3) 0.0426(14) Uani 1 1 d . . .
O20 O 0.6714(3) 0.61293(17) 0.84320(18) 0.0420(8) Uani 1 1 d . . .
C21 C 0.7205(5) 0.6257(3) 0.9955(3) 0.0538(16) Uani 1 1 d . . .
F21 F 0.8469(3) 0.6105(2) 0.99434(19) 0.0790(11) Uani 1 1 d . . .
C22 C 0.6826(6) 0.6357(3) 1.0718(3) 0.0649(19) Uani 1 1 d . . .
H22A H 0.7421 0.6322 1.1233 0.078 Uiso 1 1 calc R . .
C23 C 0.5544(6) 0.6511(3) 1.0713(3) 0.0592(17) Uani 1 1 d . . .
F23 F 0.5105(4) 0.6605(2) 1.14652(19) 0.0866(12) Uani 1 1 d . . .
C24 C 0.4645(5) 0.6556(3) 0.9954(3) 0.0471(14) Uani 1 1 d . . .
F24 F 0.3383(3) 0.67070(17) 0.99600(18) 0.0674(10) Uani 1 1 d . . .
C25 C 0.7980(5) 0.6900(3) 0.7460(3) 0.0443(14) Uani 1 1 d . . .
C26 C 0.8332(6) 0.7442(3) 0.7877(4) 0.0586(16) Uani 1 1 d . . .
F26 F 0.7524(4) 0.79255(17) 0.7743(2) 0.0852(12) Uani 1 1 d . . .
C27 C 0.9525(7) 0.7498(3) 0.8408(4) 0.0704(19) Uani 1 1 d . . .
F27 F 0.9853(4) 0.8048(2) 0.8780(3) 0.1235(18) Uani 1 1 d . . .
C28 C 1.0384(6) 0.7032(4) 0.8578(4) 0.074(2) Uani 1 1 d . . .
H28A H 1.1177 0.7076 0.8958 0.089 Uiso 1 1 calc R . .
C29 C 1.0037(6) 0.6499(3) 0.8169(4) 0.0616(16) Uani 1 1 d . . .
F29 F 1.0850(4) 0.6010(2) 0.8313(3) 0.1003(14) Uani 1 1 d . . .
C30 C 0.8864(5) 0.6436(3) 0.7612(3) 0.0509(14) Uani 1 1 d . . .
F30 F 0.8598(3) 0.58962(17) 0.7210(2) 0.0744(10) Uani 1 1 d . . .
C31 C 0.6670(5) 0.4864(2) 0.7963(3) 0.0464(14) Uani 1 1 d . . .
C32 C 0.7858(6) 0.4668(3) 0.7812(3) 0.0499(15) Uani 1 1 d . . .
F32 F 0.8109(4) 0.46677(17) 0.7006(2) 0.0717(10) Uani 1 1 d . . .
C33 C 0.8810(6) 0.4467(3) 0.8476(4) 0.0624(17) Uani 1 1 d . . .
F33 F 0.9967(4) 0.4273(2) 0.8294(3) 0.0937(14) Uani 1 1 d . . .
C34 C 0.8606(6) 0.4453(3) 0.9304(4) 0.0646(18) Uani 1 1 d . . .
H34A H 0.9262 0.4326 0.9752 0.077 Uiso 1 1 calc R . .
C35 C 0.7415(7) 0.4630(3) 0.9452(3) 0.0618(17) Uani 1 1 d . . .
F35 F 0.7160(4) 0.46325(19) 1.0262(2) 0.0838(12) Uani 1 1 d . . .
C36 C 0.6443(6) 0.4825(3) 0.8794(3) 0.0533(15) Uani 1 1 d . . .
F36 F 0.5277(3) 0.49907(17) 0.8971(2) 0.0699(10) Uani 1 1 d . . .
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'
P P 0.1023 0.0942 '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'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
1 -2 3
2 0 2
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O20 Os1 S1 85.11(9) . . ?
O20 Os1 S3 92.44(11) . . ?
S1 Os1 S3 118.16(6) . . ?
O20 Os1 S2 89.88(10) . . ?
S1 Os1 S2 120.36(6) . . ?
S3 Os1 S2 121.42(6) . . ?
O20 Os1 P1 176.54(9) . . ?
S1 Os1 P1 91.43(4) . . ?
S3 Os1 P1 89.31(5) . . ?
S2 Os1 P1 91.76(5) . . ?
C13 P1 C1 104.5(2) . . ?
C13 P1 C7 104.0(2) . . ?
C1 P1 C7 102.4(2) . . ?
C13 P1 Os1 113.83(16) . . ?
C1 P1 Os1 116.63(17) . . ?
C7 P1 Os1 113.99(15) . . ?
C19 S1 Os1 101.25(18) . . ?
C25 S2 Os1 107.22(18) . . ?
C31 S3 Os1 108.06(19) . . ?
C2 C1 C6 119.2(5) . . ?
C2 C1 P1 121.5(4) . . ?
C6 C1 P1 119.3(4) . . ?
C1 C2 C3 120.8(6) . . ?
C1 C2 H2A 119.6 . . ?
C3 C2 H2A 119.6 . . ?
C4 C3 C2 119.8(6) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C3 C4 C5 119.8(6) . . ?
C3 C4 H4A 120.1 . . ?
C5 C4 H4A 120.1 . . ?
C4 C5 C6 120.7(6) . . ?
C4 C5 H5A 119.7 . . ?
C6 C5 H5A 119.7 . . ?
C5 C6 C1 119.7(6) . . ?
C5 C6 H6A 120.1 . . ?
C1 C6 H6A 120.1 . . ?
C8 C7 C12 119.3(5) . . ?
C8 C7 P1 122.4(4) . . ?
C12 C7 P1 118.0(4) . . ?
C9 C8 C7 120.2(6) . . ?
C9 C8 H8A 119.9 . . ?
C7 C8 H8A 119.9 . . ?
C8 C9 C10 120.7(6) . . ?
C8 C9 H9A 119.6 . . ?
C10 C9 H9A 119.6 . . ?
C9 C10 C11 119.0(6) . . ?
C9 C10 H10A 120.5 . . ?
C11 C10 H10A 120.5 . . ?
C12 C11 C10 121.2(6) . . ?
C12 C11 H11A 119.4 . . ?
C10 C11 H11A 119.4 . . ?
C11 C12 C7 119.6(5) . . ?
C11 C12 H12A 120.2 . . ?
C7 C12 H12A 120.2 . . ?
C14 C13 C18 117.8(5) . . ?
C14 C13 P1 119.4(4) . . ?
C18 C13 P1 122.8(4) . . ?
C13 C14 C15 120.9(5) . . ?
C13 C14 H14A 119.5 . . ?
C15 C14 H14A 119.5 . . ?
C16 C15 C14 119.3(6) . . ?
C16 C15 H15A 120.4 . . ?
C14 C15 H15A 120.4 . . ?
C17 C16 C15 120.9(6) . . ?
C17 C16 H16A 119.5 . . ?
C15 C16 H16A 119.5 . . ?
C16 C17 C18 119.5(6) . . ?
C16 C17 H17A 120.2 . . ?
C18 C17 H17A 120.2 . . ?
C17 C18 C13 121.6(6) . . ?
C17 C18 H18A 119.2 . . ?
C13 C18 H18A 119.2 . . ?
C24 C19 C20 121.2(4) . . ?
C24 C19 S1 123.4(4) . . ?
C20 C19 S1 115.4(4) . . ?
O20 C20 C19 122.1(4) . . ?
O20 C20 C21 121.4(5) . . ?
C19 C20 C21 116.5(5) . . ?
C20 O20 Os1 116.1(3) . . ?
C22 C21 F21 119.5(5) . . ?
C22 C21 C20 123.0(5) . . ?
F21 C21 C20 117.4(5) . . ?
C21 C22 C23 118.5(5) . . ?
C21 C22 H22A 120.7 . . ?
C23 C22 H22A 120.7 . . ?
F23 C23 C22 120.8(5) . . ?
F23 C23 C24 117.8(6) . . ?
C22 C23 C24 121.3(5) . . ?
F24 C24 C19 119.9(4) . . ?
F24 C24 C23 120.6(5) . . ?
C19 C24 C23 119.4(5) . . ?
C30 C25 C26 117.1(5) . . ?
C30 C25 S2 121.7(4) . . ?
C26 C25 S2 121.2(5) . . ?
F26 C26 C27 119.5(6) . . ?
F26 C26 C25 120.5(5) . . ?
C27 C26 C25 120.0(6) . . ?
C28 C27 F27 119.0(6) . . ?
C28 C27 C26 122.9(6) . . ?
F27 C27 C26 118.1(6) . . ?
C27 C28 C29 117.0(6) . . ?
C27 C28 H28A 121.5 . . ?
C29 C28 H28A 121.5 . . ?
C28 C29 F29 120.2(6) . . ?
C28 C29 C30 121.3(6) . . ?
F29 C29 C30 118.5(6) . . ?
F30 C30 C25 120.3(5) . . ?
F30 C30 C29 118.1(6) . . ?
C25 C30 C29 121.6(6) . . ?
C32 C31 C36 117.7(5) . . ?
C32 C31 S3 121.2(4) . . ?
C36 C31 S3 121.1(4) . . ?
F32 C32 C31 120.2(5) . . ?
F32 C32 C33 119.1(5) . . ?
C31 C32 C33 120.7(5) . . ?
F33 C33 C34 119.9(5) . . ?
F33 C33 C32 118.5(5) . . ?
C34 C33 C32 121.6(6) . . ?
C35 C34 C33 117.8(5) . . ?
C35 C34 H34A 121.1 . . ?
C33 C34 H34A 121.1 . . ?
F35 C35 C34 120.6(5) . . ?
F35 C35 C36 118.0(6) . . ?
C34 C35 C36 121.4(5) . . ?
F36 C36 C35 119.2(5) . . ?
F36 C36 C31 120.1(5) . . ?
C35 C36 C31 120.6(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 O20 2.084(3) . ?
Os1 S1 2.1909(13) . ?
Os1 S3 2.2132(15) . ?
Os1 S2 2.2213(14) . ?
Os1 P1 2.3333(12) . ?
P1 C13 1.822(5) . ?
P1 C1 1.830(5) . ?
P1 C7 1.834(5) . ?
S1 C19 1.758(5) . ?
S2 C25 1.794(5) . ?
S3 C31 1.791(5) . ?
C1 C2 1.375(7) . ?
C1 C6 1.387(7) . ?
C2 C3 1.384(8) . ?
C2 H2A 0.9300 . ?
C3 C4 1.369(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.377(9) . ?
C4 H4A 0.9300 . ?
C5 C6 1.379(8) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C8 1.387(7) . ?
C7 C12 1.395(7) . ?
C8 C9 1.374(8) . ?
C8 H8A 0.9300 . ?
C9 C10 1.380(9) . ?
C9 H9A 0.9300 . ?
C10 C11 1.382(9) . ?
C10 H10A 0.9300 . ?
C11 C12 1.373(8) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 C14 1.380(7) . ?
C13 C18 1.389(7) . ?
C14 C15 1.391(8) . ?
C14 H14A 0.9300 . ?
C15 C16 1.367(8) . ?
C15 H15A 0.9300 . ?
C16 C17 1.365(9) . ?
C16 H16A 0.9300 . ?
C17 C18 1.368(8) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C24 1.377(7) . ?
C19 C20 1.395(7) . ?
C20 O20 1.327(6) . ?
C20 C21 1.409(7) . ?
C21 C22 1.357(8) . ?
C21 F21 1.357(6) . ?
C22 C23 1.372(8) . ?
C22 H22A 0.9300 . ?
C23 F23 1.367(6) . ?
C23 C24 1.382(7) . ?
C24 F24 1.353(6) . ?
C25 C30 1.366(8) . ?
C25 C26 1.380(8) . ?
C26 F26 1.347(7) . ?
C26 C27 1.367(8) . ?
C27 C28 1.354(9) . ?
C27 F27 1.363(7) . ?
C28 C29 1.357(9) . ?
C28 H28A 0.9300 . ?
C29 F29 1.362(7) . ?
C29 C30 1.372(8) . ?
C30 F30 1.352(7) . ?
C31 C32 1.369(8) . ?
C31 C36 1.382(7) . ?
C32 F32 1.349(6) . ?
C32 C33 1.376(8) . ?
C33 F33 1.355(7) . ?
C33 C34 1.366(8) . ?
C34 C35 1.358(8) . ?
C34 H34A 0.9300 . ?
C35 F35 1.356(6) . ?
C35 C36 1.379(7) . ?
C36 F36 1.343(6) . ?
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
_geom_torsion_publ_flag
S1 Os1 P1 C13 -89.02(19) . . . . ?
S3 Os1 P1 C13 29.13(19) . . . . ?
S2 Os1 P1 C13 150.54(19) . . . . ?
S1 Os1 P1 C1 149.10(19) . . . . ?
S3 Os1 P1 C1 -92.75(19) . . . . ?
S2 Os1 P1 C1 28.7(2) . . . . ?
S1 Os1 P1 C7 30.04(19) . . . . ?
S3 Os1 P1 C7 148.19(19) . . . . ?
S2 Os1 P1 C7 -90.40(18) . . . . ?
O20 Os1 S1 C19 -1.7(2) . . . . ?
S3 Os1 S1 C19 88.4(2) . . . . ?
S2 Os1 S1 C19 -88.7(2) . . . . ?
P1 Os1 S1 C19 178.4(2) . . . . ?
O20 Os1 S2 C25 6.2(2) . . . . ?
S1 Os1 S2 C25 90.4(2) . . . . ?
S3 Os1 S2 C25 -86.6(2) . . . . ?
P1 Os1 S2 C25 -176.9(2) . . . . ?
O20 Os1 S3 C31 0.6(2) . . . . ?
S1 Os1 S3 C31 -85.1(2) . . . . ?
S2 Os1 S3 C31 92.0(2) . . . . ?
P1 Os1 S3 C31 -176.4(2) . . . . ?
C13 P1 C1 C2 94.1(5) . . . . ?
C7 P1 C1 C2 -14.1(5) . . . . ?
Os1 P1 C1 C2 -139.2(4) . . . . ?
C13 P1 C1 C6 -84.3(5) . . . . ?
C7 P1 C1 C6 167.5(4) . . . . ?
Os1 P1 C1 C6 42.3(5) . . . . ?
C6 C1 C2 C3 -0.1(9) . . . . ?
P1 C1 C2 C3 -178.5(5) . . . . ?
C1 C2 C3 C4 -0.8(11) . . . . ?
C2 C3 C4 C5 1.7(11) . . . . ?
C3 C4 C5 C6 -1.8(11) . . . . ?
C4 C5 C6 C1 0.9(10) . . . . ?
C2 C1 C6 C5 0.0(9) . . . . ?
P1 C1 C6 C5 178.5(5) . . . . ?
C13 P1 C7 C8 -12.6(5) . . . . ?
C1 P1 C7 C8 96.0(4) . . . . ?
Os1 P1 C7 C8 -137.1(4) . . . . ?
C13 P1 C7 C12 173.0(4) . . . . ?
C1 P1 C7 C12 -78.4(4) . . . . ?
Os1 P1 C7 C12 48.5(4) . . . . ?
C12 C7 C8 C9 1.9(8) . . . . ?
P1 C7 C8 C9 -172.5(4) . . . . ?
C7 C8 C9 C10 -2.3(9) . . . . ?
C8 C9 C10 C11 1.8(10) . . . . ?
C9 C10 C11 C12 -0.8(9) . . . . ?
C10 C11 C12 C7 0.4(9) . . . . ?
C8 C7 C12 C11 -0.9(8) . . . . ?
P1 C7 C12 C11 173.6(4) . . . . ?
C1 P1 C13 C14 179.8(4) . . . . ?
C7 P1 C13 C14 -73.2(5) . . . . ?
Os1 P1 C13 C14 51.4(5) . . . . ?
C1 P1 C13 C18 -1.2(5) . . . . ?
C7 P1 C13 C18 105.8(5) . . . . ?
Os1 P1 C13 C18 -129.6(4) . . . . ?
C18 C13 C14 C15 -0.6(8) . . . . ?
P1 C13 C14 C15 178.4(4) . . . . ?
C13 C14 C15 C16 0.9(9) . . . . ?
C14 C15 C16 C17 0.5(10) . . . . ?
C15 C16 C17 C18 -2.1(10) . . . . ?
C16 C17 C18 C13 2.3(9) . . . . ?
C14 C13 C18 C17 -1.0(8) . . . . ?
P1 C13 C18 C17 -180.0(4) . . . . ?
Os1 S1 C19 C24 -175.4(5) . . . . ?
Os1 S1 C19 C20 1.7(5) . . . . ?
C24 C19 C20 O20 176.7(5) . . . . ?
S1 C19 C20 O20 -0.5(7) . . . . ?
C24 C19 C20 C21 -2.2(8) . . . . ?
S1 C19 C20 C21 -179.4(4) . . . . ?
C19 C20 O20 Os1 -1.2(6) . . . . ?
C21 C20 O20 Os1 177.7(4) . . . . ?
S1 Os1 O20 C20 1.8(3) . . . . ?
S3 Os1 O20 C20 -116.2(3) . . . . ?
S2 Os1 O20 C20 122.3(3) . . . . ?
O20 C20 C21 C22 -175.0(6) . . . . ?
C19 C20 C21 C22 4.0(9) . . . . ?
O20 C20 C21 F21 1.8(8) . . . . ?
C19 C20 C21 F21 -179.2(5) . . . . ?
F21 C21 C22 C23 180.0(6) . . . . ?
C20 C21 C22 C23 -3.3(10) . . . . ?
C21 C22 C23 F23 178.7(6) . . . . ?
C21 C22 C23 C24 0.9(11) . . . . ?
C20 C19 C24 F24 -179.2(5) . . . . ?
S1 C19 C24 F24 -2.2(8) . . . . ?
C20 C19 C24 C23 0.0(9) . . . . ?
S1 C19 C24 C23 177.0(5) . . . . ?
F23 C23 C24 F24 2.0(9) . . . . ?
C22 C23 C24 F24 179.9(6) . . . . ?
F23 C23 C24 C19 -177.2(6) . . . . ?
C22 C23 C24 C19 0.7(10) . . . . ?
Os1 S2 C25 C30 66.3(5) . . . . ?
Os1 S2 C25 C26 -114.6(5) . . . . ?
C30 C25 C26 F26 178.4(5) . . . . ?
S2 C25 C26 F26 -0.7(8) . . . . ?
C30 C25 C26 C27 0.5(9) . . . . ?
S2 C25 C26 C27 -178.6(5) . . . . ?
F26 C26 C27 C28 179.5(7) . . . . ?
C25 C26 C27 C28 -2.6(11) . . . . ?
F26 C26 C27 F27 -0.4(10) . . . . ?
C25 C26 C27 F27 177.5(6) . . . . ?
F27 C27 C28 C29 -177.7(7) . . . . ?
C26 C27 C28 C29 2.4(11) . . . . ?
C27 C28 C29 F29 -179.5(6) . . . . ?
C27 C28 C29 C30 -0.3(10) . . . . ?
C26 C25 C30 F30 -178.5(5) . . . . ?
S2 C25 C30 F30 0.7(8) . . . . ?
C26 C25 C30 C29 1.5(9) . . . . ?
S2 C25 C30 C29 -179.3(4) . . . . ?
C28 C29 C30 F30 178.3(6) . . . . ?
F29 C29 C30 F30 -2.5(8) . . . . ?
C28 C29 C30 C25 -1.7(10) . . . . ?
F29 C29 C30 C25 177.6(5) . . . . ?
Os1 S3 C31 C32 -110.2(5) . . . . ?
Os1 S3 C31 C36 70.0(5) . . . . ?
C36 C31 C32 F32 176.8(5) . . . . ?
S3 C31 C32 F32 -3.0(8) . . . . ?
C36 C31 C32 C33 -3.1(9) . . . . ?
S3 C31 C32 C33 177.1(5) . . . . ?
F32 C32 C33 F33 -0.4(9) . . . . ?
C31 C32 C33 F33 179.5(6) . . . . ?
F32 C32 C33 C34 -179.5(6) . . . . ?
C31 C32 C33 C34 0.4(10) . . . . ?
F33 C33 C34 C35 -177.6(6) . . . . ?
C32 C33 C34 C35 1.5(10) . . . . ?
C33 C34 C35 F35 -179.3(6) . . . . ?
C33 C34 C35 C36 -0.7(11) . . . . ?
F35 C35 C36 F36 -2.0(9) . . . . ?
C34 C35 C36 F36 179.4(6) . . . . ?
F35 C35 C36 C31 176.5(6) . . . . ?
C34 C35 C36 C31 -2.1(10) . . . . ?
C32 C31 C36 F36 -177.5(5) . . . . ?
S3 C31 C36 F36 2.3(8) . . . . ?
C32 C31 C36 C35 4.0(9) . . . . ?
S3 C31 C36 C35 -176.2(5) . . . . ?
