#------------------------------------------------------------------------------
#$Date: 2018-08-16 13:20:49 +0300 (Thu, 16 Aug 2018) $
#$Revision: 209786 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/84/7118472.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_7118472
loop_
_publ_author_name
'Chitnis, Saurabh S.'
'Vos, Kevin A.'
'Burford, Neil'
'McDonald, Robert'
'Ferguson, Michael J.'
_publ_section_title
;
 Distinction between coordination and phosphine ligand oxidation:
 interactions of di- and triphosphines with Pn³⁺ (Pn = P, As, Sb, Bi)
;
_journal_coden_ASTM              CHCOFS
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              685
_journal_page_last               688
_journal_paper_doi               10.1039/c5cc08086j
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C28 H22 F9 O9 P2 S3 Sb, C2 H3 N'
_chemical_formula_sum            'C30 H25 F9 N O9 P2 S3 Sb'
_chemical_formula_weight         994.38
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-08-08 deposited with the CCDC.
2015-11-11 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.3749(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1263(5)
_cell_length_b                   19.3196(10)
_cell_length_c                   21.6426(11)
_cell_measurement_reflns_used    9642
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.44
_cell_measurement_theta_min      2.18
_cell_volume                     3765.0(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF-2008 (Beurskens et al., 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω 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  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0208
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            32826
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  0.8049
_exptl_absorpt_correction_T_min  0.6531
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1976
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.517
_refine_diff_density_min         -0.407
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         8639
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0233
_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)+(0.0240P)²+2.4047P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0543
_refine_ls_wR_factor_ref         0.0568
_reflns_number_gt                7632
_reflns_number_total             8639
_reflns_threshold_expression     I>2σ(I)
_cod_duplicate_entry             7118192
_cod_data_source_file            c5cc08086j2.cif
_cod_data_source_block           vic1256
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7118472
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Sb Sb 0.383876(12) 0.206206(6) 0.368939(5) 0.01877(4) Uani 1 1 d . . .
S1 S 0.20049(5) 0.33949(2) 0.40834(2) 0.02596(10) Uani 1 1 d . . .
S2 S 0.46450(6) 0.04009(2) 0.34739(3) 0.03168(11) Uani 1 1 d . . .
S3 S 0.06267(5) 0.19977(2) 0.25915(2) 0.02464(10) Uani 1 1 d . . .
P1 P 0.55949(5) 0.24758(2) 0.29043(2) 0.01766(9) Uani 1 1 d . . .
P2 P 0.66414(5) 0.23725(2) 0.42177(2) 0.01839(9) Uani 1 1 d . . .
F1 F 0.03541(18) 0.44529(7) 0.37171(9) 0.0666(5) Uani 1 1 d . . .
F2 F 0.26090(17) 0.45561(6) 0.35619(8) 0.0511(4) Uani 1 1 d . . .
F3 F 0.10922(16) 0.38941(7) 0.29661(7) 0.0492(4) Uani 1 1 d . . .
F4 F 0.5504(3) -0.06597(8) 0.41609(11) 0.0986(8) Uani 1 1 d . . .
F5 F 0.72880(19) -0.00126(10) 0.39451(10) 0.0805(6) Uani 1 1 d . . .
F6 F 0.5988(2) 0.03034(10) 0.46226(8) 0.0817(6) Uani 1 1 d . . .
F7 F -0.04092(18) 0.11477(10) 0.16885(8) 0.0723(5) Uani 1 1 d . . .
F8 F 0.10315(17) 0.19362(9) 0.14311(7) 0.0560(4) Uani 1 1 d . . .
F9 F 0.19389(17) 0.10741(8) 0.19903(8) 0.0588(4) Uani 1 1 d . . .
O1 O 0.33910(14) 0.31455(6) 0.38625(6) 0.0239(3) Uani 1 1 d . . .
O2 O 0.08203(16) 0.29056(7) 0.39491(7) 0.0324(3) Uani 1 1 d . . .
O3 O 0.22915(18) 0.36984(8) 0.46890(8) 0.0410(4) Uani 1 1 d . . .
O4 O 0.52925(15) 0.11041(7) 0.34787(7) 0.0291(3) Uani 1 1 d . . .
O5 O 0.32480(19) 0.03981(9) 0.36852(10) 0.0566(5) Uani 1 1 d . . .
O6 O 0.4770(2) 0.00229(9) 0.29241(9) 0.0565(5) Uani 1 1 d . . .
O7 O 0.21139(14) 0.23091(7) 0.27364(6) 0.0279(3) Uani 1 1 d . . .
O8 O 0.03361(17) 0.14903(8) 0.30368(7) 0.0359(3) Uani 1 1 d . . .
O9 O -0.05234(16) 0.24863(8) 0.23929(7) 0.0365(3) Uani 1 1 d . . .
C1 C 0.1494(3) 0.41178(11) 0.35451(13) 0.0399(5) Uani 1 1 d . . .
C2 C 0.5924(3) -0.00102(13) 0.40878(15) 0.0538(7) Uani 1 1 d . . .
C3 C 0.0811(3) 0.15097(13) 0.18881(11) 0.0411(5) Uani 1 1 d . . .
C4 C 0.72841(19) 0.23137(9) 0.34630(8) 0.0197(3) Uani 1 1 d . . .
H4A H 0.8051 0.2667 0.3427 0.024 Uiso 1 1 calc R . .
H4B H 0.7693 0.1849 0.3400 0.024 Uiso 1 1 calc R . .
C11 C 0.5541(2) 0.19705(9) 0.22013(8) 0.0215(4) Uani 1 1 d . . .
C12 C 0.4606(2) 0.21948(11) 0.16658(10) 0.0328(5) Uani 1 1 d . . .
H12 H 0.4045 0.2608 0.1675 0.039 Uiso 1 1 calc R . .
C13 C 0.4500(3) 0.18126(14) 0.11191(11) 0.0444(6) Uani 1 1 d . . .
H13 H 0.3854 0.1962 0.0754 0.053 Uiso 1 1 calc R . .
C14 C 0.5324(3) 0.12176(13) 0.11003(11) 0.0412(5) Uani 1 1 d . . .
H14 H 0.5260 0.0963 0.0721 0.049 Uiso 1 1 calc R . .
C15 C 0.6242(3) 0.09911(11) 0.16313(10) 0.0364(5) Uani 1 1 d . . .
H15 H 0.6801 0.0578 0.1618 0.044 Uiso 1 1 calc R . .
C16 C 0.6351(2) 0.13631(10) 0.21840(9) 0.0289(4) Uani 1 1 d . . .
H16 H 0.6977 0.1204 0.2550 0.035 Uiso 1 1 calc R . .
C21 C 0.5582(2) 0.33725(9) 0.26829(8) 0.0219(4) Uani 1 1 d . . .
C22 C 0.4245(2) 0.37312(10) 0.25541(9) 0.0270(4) Uani 1 1 d . . .
H22 H 0.3340 0.3509 0.2600 0.032 Uiso 1 1 calc R . .
C23 C 0.4241(3) 0.44149(11) 0.23580(10) 0.0353(5) Uani 1 1 d . . .
H23 H 0.3331 0.4662 0.2269 0.042 Uiso 1 1 calc R . .
C24 C 0.5554(3) 0.47364(11) 0.22916(10) 0.0388(5) Uani 1 1 d . . .
H24 H 0.5544 0.5206 0.2161 0.047 Uiso 1 1 calc R . .
C25 C 0.6888(3) 0.43809(11) 0.24142(11) 0.0381(5) Uani 1 1 d . . .
H25 H 0.7788 0.4605 0.2365 0.046 Uiso 1 1 calc R . .
C26 C 0.6906(2) 0.36974(10) 0.26084(9) 0.0293(4) Uani 1 1 d . . .
H26 H 0.7818 0.3451 0.2690 0.035 Uiso 1 1 calc R . .
C31 C 0.68297(19) 0.32502(9) 0.45098(8) 0.0207(4) Uani 1 1 d . . .
C32 C 0.5956(2) 0.34493(10) 0.49476(9) 0.0285(4) Uani 1 1 d . . .
H32 H 0.5290 0.3128 0.5085 0.034 Uiso 1 1 calc R . .
C33 C 0.6055(2) 0.41163(11) 0.51844(10) 0.0333(5) Uani 1 1 d . . .
H33 H 0.5467 0.4250 0.5489 0.040 Uiso 1 1 calc R . .
C34 C 0.7004(3) 0.45870(11) 0.49798(11) 0.0360(5) Uani 1 1 d . . .
H34 H 0.7062 0.5047 0.5138 0.043 Uiso 1 1 calc R . .
C35 C 0.7870(3) 0.43873(11) 0.45449(12) 0.0443(6) Uani 1 1 d . . .
H35 H 0.8527 0.4712 0.4406 0.053 Uiso 1 1 calc R . .
C36 C 0.7794(2) 0.37209(10) 0.43090(10) 0.0335(5) Uani 1 1 d . . .
H36 H 0.8399 0.3587 0.4011 0.040 Uiso 1 1 calc R . .
C41 C 0.7779(2) 0.17954(9) 0.47519(9) 0.0240(4) Uani 1 1 d . . .
C42 C 0.7311(2) 0.16309(11) 0.53158(10) 0.0347(5) Uani 1 1 d . . .
H42 H 0.6437 0.1836 0.5421 0.042 Uiso 1 1 calc R . .
C43 C 0.8126(3) 0.11665(13) 0.57221(11) 0.0442(6) Uani 1 1 d . . .
H43 H 0.7810 0.1051 0.6106 0.053 Uiso 1 1 calc R . .
C44 C 0.9393(3) 0.08720(12) 0.55705(12) 0.0450(6) Uani 1 1 d . . .
H44 H 0.9943 0.0551 0.5849 0.054 Uiso 1 1 calc R . .
C45 C 0.9868(3) 0.10405(12) 0.50164(12) 0.0431(6) Uani 1 1 d . . .
H45 H 1.0747 0.0836 0.4916 0.052 Uiso 1 1 calc R . .
C46 C 0.9071(2) 0.15066(11) 0.46041(10) 0.0320(4) Uani 1 1 d . . .
H46 H 0.9405 0.1627 0.4225 0.038 Uiso 1 1 calc R . .
N1S N 0.3537(2) 0.20514(11) 0.49984(10) 0.0444(5) Uani 1 1 d . . .
C1S C 0.3129(2) 0.20637(11) 0.54583(11) 0.0339(5) Uani 1 1 d . . .
C2S C 0.2628(4) 0.20799(19) 0.60578(15) 0.0741(10) Uani 1 1 d . . .
H2SA H 0.3436 0.1931 0.6386 0.089 Uiso 1 1 calc R . .
H2SB H 0.1779 0.1768 0.6048 0.089 Uiso 1 1 calc R . .
H2SC H 0.2329 0.2552 0.6146 0.089 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Sb Sb -0.5866 1.5461 '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
O1 Sb O4 155.90(5) . .
O1 Sb O7 80.99(5) . .
O4 Sb O7 107.24(5) . .
O1 Sb P1 88.30(4) . .
O4 Sb P1 72.22(3) . .
O7 Sb P1 76.80(3) . .
O1 Sb P2 84.53(4) . .
O4 Sb P2 74.47(4) . .
O7 Sb P2 139.09(3) . .
P1 Sb P2 64.666(14) . .
O3 S1 O2 118.67(10) . .
O3 S1 O1 112.82(9) . .
O2 S1 O1 111.80(8) . .
O3 S1 C1 105.18(11) . .
O2 S1 C1 105.63(10) . .
O1 S1 C1 100.51(9) . .
O6 S2 O5 117.83(12) . .
O6 S2 O4 113.10(11) . .
O5 S2 O4 112.24(9) . .
O6 S2 C2 105.12(13) . .
O5 S2 C2 105.55(14) . .
O4 S2 C2 100.90(10) . .
O9 S3 O8 116.70(9) . .
O9 S3 O7 113.70(9) . .
O8 S3 O7 113.76(9) . .
O9 S3 C3 104.74(10) . .
O8 S3 C3 105.14(11) . .
O7 S3 C3 100.50(9) . .
C21 P1 C11 107.40(8) . .
C21 P1 C4 108.08(8) . .
C11 P1 C4 111.75(8) . .
C21 P1 Sb 119.00(6) . .
C11 P1 Sb 116.30(6) . .
C4 P1 Sb 93.29(6) . .
C41 P2 C31 110.05(8) . .
C41 P2 C4 107.40(9) . .
C31 P2 C4 110.18(8) . .
C41 P2 Sb 122.75(6) . .
C31 P2 Sb 112.76(6) . .
C4 P2 Sb 91.58(6) . .
S1 O1 Sb 123.67(8) . .
S2 O4 Sb 118.93(8) . .
S3 O7 Sb 123.25(8) . .
F2 C1 F3 109.27(19) . .
F2 C1 F1 108.35(18) . .
F3 C1 F1 108.4(2) . .
F2 C1 S1 110.93(17) . .
F3 C1 S1 110.93(15) . .
F1 C1 S1 108.86(16) . .
F6 C2 F4 107.8(3) . .
F6 C2 F5 107.5(2) . .
F4 C2 F5 108.9(2) . .
F6 C2 S2 112.35(19) . .
F4 C2 S2 109.78(19) . .
F5 C2 S2 110.4(2) . .
F9 C3 F7 108.0(2) . .
F9 C3 F8 108.16(19) . .
F7 C3 F8 107.8(2) . .
F9 C3 S3 111.44(17) . .
F7 C3 S3 111.00(16) . .
F8 C3 S3 110.32(17) . .
P1 C4 P2 102.83(9) . .
C16 C11 C12 119.78(18) . .
C16 C11 P1 122.58(15) . .
C12 C11 P1 117.60(14) . .
C13 C12 C11 119.6(2) . .
C14 C13 C12 120.5(2) . .
C13 C14 C15 120.0(2) . .
C14 C15 C16 120.3(2) . .
C15 C16 C11 119.83(19) . .
C22 C21 C26 120.07(17) . .
C22 C21 P1 120.06(14) . .
C26 C21 P1 119.78(14) . .
C23 C22 C21 119.57(19) . .
C24 C23 C22 120.2(2) . .
C23 C24 C25 120.6(2) . .
C26 C25 C24 119.8(2) . .
C25 C26 C21 119.79(19) . .
C36 C31 C32 119.84(17) . .
C36 C31 P2 122.38(14) . .
C32 C31 P2 117.78(14) . .
C33 C32 C31 120.04(19) . .
C34 C33 C32 120.12(19) . .
C33 C34 C35 119.66(19) . .
C34 C35 C36 120.9(2) . .
C35 C36 C31 119.48(19) . .
C46 C41 C42 120.21(18) . .
C46 C41 P2 121.43(15) . .
C42 C41 P2 118.34(15) . .
C43 C42 C41 119.6(2) . .
C44 C43 C42 120.1(2) . .
C43 C44 C45 120.4(2) . .
C44 C45 C46 120.4(2) . .
C45 C46 C41 119.3(2) . .
N1S C1S C2S 179.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb O1 2.1769(12) .
Sb O4 2.3644(13) .
Sb O7 2.4294(13) .
Sb P1 2.6423(5) .
Sb P2 2.6937(5) .
S1 O3 1.4208(16) .
S1 O2 1.4298(14) .
S1 O1 1.5026(13) .
S1 C1 1.830(2) .
S2 O6 1.4164(18) .
S2 O5 1.4228(18) .
S2 O4 1.4809(14) .
S2 C2 1.804(3) .
S3 O9 1.4249(15) .
S3 O8 1.4293(15) .
S3 O7 1.4711(14) .
S3 C3 1.822(2) .
P1 C21 1.7968(18) .
P1 C11 1.8016(18) .
P1 C4 1.8246(17) .
P2 C41 1.8073(18) .
P2 C31 1.8081(18) .
P2 C4 1.8268(18) .
F1 C1 1.329(2) .
F2 C1 1.320(3) .
F3 C1 1.320(3) .
F4 C2 1.329(3) .
F5 C2 1.330(3) .
F6 C2 1.299(3) .
F7 C3 1.326(3) .
F8 C3 1.328(3) .
F9 C3 1.320(3) .
C11 C16 1.390(3) .
C11 C12 1.392(3) .
C12 C13 1.385(3) .
C13 C14 1.378(3) .
C14 C15 1.378(3) .
C15 C16 1.385(3) .
C21 C22 1.392(3) .
C21 C26 1.394(3) .
C22 C23 1.387(3) .
C23 C24 1.377(3) .
C24 C25 1.386(3) .
C25 C26 1.385(3) .
C31 C36 1.384(3) .
C31 C32 1.388(3) .
C32 C33 1.384(3) .
C33 C34 1.378(3) .
C34 C35 1.379(3) .
C35 C36 1.383(3) .
C41 C46 1.388(3) .
C41 C42 1.394(3) .
C42 C43 1.385(3) .
C43 C44 1.375(4) .
C44 C45 1.379(4) .
C45 C46 1.388(3) .
N1S C1S 1.118(3) .
C1S C2S 1.445(4) .
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
O1 Sb P1 C21 -10.36(8) . . . .
O4 Sb P1 C21 -175.96(8) . . . .
O7 Sb P1 C21 70.78(8) . . . .
P2 Sb P1 C21 -95.12(7) . . . .
O1 Sb P1 C11 -141.32(8) . . . .
O4 Sb P1 C11 53.09(8) . . . .
O7 Sb P1 C11 -60.17(8) . . . .
P2 Sb P1 C11 133.93(7) . . . .
O1 Sb P1 C4 102.43(7) . . . .
O4 Sb P1 C4 -63.17(7) . . . .
O7 Sb P1 C4 -176.43(7) . . . .
P2 Sb P1 C4 17.67(6) . . . .
O1 Sb P2 C41 139.74(9) . . . .
O4 Sb P2 C41 -52.21(9) . . . .
O7 Sb P2 C41 -150.79(9) . . . .
P1 Sb P2 C41 -129.55(8) . . . .
O1 Sb P2 C31 4.36(7) . . . .
O4 Sb P2 C31 172.41(8) . . . .
O7 Sb P2 C31 73.84(8) . . . .
P1 Sb P2 C31 95.07(7) . . . .
O1 Sb P2 C4 -108.33(7) . . . .
O4 Sb P2 C4 59.72(7) . . . .
O7 Sb P2 C4 -38.86(8) . . . .
P1 Sb P2 C4 -17.63(6) . . . .
O3 S1 O1 Sb 115.41(10) . . . .
O2 S1 O1 Sb -21.38(12) . . . .
C1 S1 O1 Sb -133.06(11) . . . .
O4 Sb O1 S1 -169.48(9) . . . .
O7 Sb O1 S1 78.16(9) . . . .
P1 Sb O1 S1 155.06(9) . . . .
P2 Sb O1 S1 -140.23(9) . . . .
O6 S2 O4 Sb 128.40(11) . . . .
O5 S2 O4 Sb -7.88(14) . . . .
C2 S2 O4 Sb -119.82(13) . . . .
O1 Sb O4 S2 174.86(9) . . . .
O7 Sb O4 S2 -78.15(9) . . . .
P1 Sb O4 S2 -147.62(10) . . . .
P2 Sb O4 S2 144.54(9) . . . .
O9 S3 O7 Sb 131.70(9) . . . .
O8 S3 O7 Sb -5.13(13) . . . .
C3 S3 O7 Sb -116.96(11) . . . .
O1 Sb O7 S3 -113.04(10) . . . .
O4 Sb O7 S3 90.25(10) . . . .
P1 Sb O7 S3 156.60(10) . . . .
P2 Sb O7 S3 176.24(6) . . . .
O3 S1 C1 F2 63.02(17) . . . .
O2 S1 C1 F2 -170.67(15) . . . .
O1 S1 C1 F2 -54.31(17) . . . .
O3 S1 C1 F3 -175.34(15) . . . .
O2 S1 C1 F3 -49.02(17) . . . .
O1 S1 C1 F3 67.34(16) . . . .
O3 S1 C1 F1 -56.1(2) . . . .
O2 S1 C1 F1 70.2(2) . . . .
O1 S1 C1 F1 -173.44(17) . . . .
O6 S2 C2 F6 176.9(2) . . . .
O5 S2 C2 F6 -57.8(2) . . . .
O4 S2 C2 F6 59.2(2) . . . .
O6 S2 C2 F4 -63.1(3) . . . .
O5 S2 C2 F4 62.1(3) . . . .
O4 S2 C2 F4 179.1(2) . . . .
O6 S2 C2 F5 56.9(2) . . . .
O5 S2 C2 F5 -177.83(18) . . . .
O4 S2 C2 F5 -60.8(2) . . . .
O9 S3 C3 F9 174.35(16) . . . .
O8 S3 C3 F9 -62.12(19) . . . .
O7 S3 C3 F9 56.22(19) . . . .
O9 S3 C3 F7 -65.2(2) . . . .
O8 S3 C3 F7 58.3(2) . . . .
O7 S3 C3 F7 176.63(18) . . . .
O9 S3 C3 F8 54.19(18) . . . .
O8 S3 C3 F8 177.72(15) . . . .
O7 S3 C3 F8 -63.94(17) . . . .
C21 P1 C4 P2 97.46(9) . . . .
C11 P1 C4 P2 -144.57(8) . . . .
Sb P1 C4 P2 -24.51(7) . . . .
C41 P2 C4 P1 149.13(8) . . . .
C31 P2 C4 P1 -91.00(10) . . . .
Sb P2 C4 P1 23.98(7) . . . .
C21 P1 C11 C16 141.11(16) . . . .
C4 P1 C11 C16 22.74(19) . . . .
Sb P1 C11 C16 -82.70(16) . . . .
C21 P1 C11 C12 -41.09(18) . . . .
C4 P1 C11 C12 -159.46(15) . . . .
Sb P1 C11 C12 95.10(16) . . . .
C16 C11 C12 C13 -0.5(3) . . . .
P1 C11 C12 C13 -178.33(19) . . . .
C11 C12 C13 C14 -0.7(4) . . . .
C12 C13 C14 C15 1.3(4) . . . .
C13 C14 C15 C16 -0.6(4) . . . .
C14 C15 C16 C11 -0.6(3) . . . .
C12 C11 C16 C15 1.1(3) . . . .
P1 C11 C16 C15 178.86(16) . . . .
C11 P1 C21 C22 93.36(16) . . . .
C4 P1 C21 C22 -145.93(15) . . . .
Sb P1 C21 C22 -41.44(17) . . . .
C11 P1 C21 C26 -83.25(17) . . . .
C4 P1 C21 C26 37.47(18) . . . .
Sb P1 C21 C26 141.95(14) . . . .
C26 C21 C22 C23 -0.7(3) . . . .
P1 C21 C22 C23 -177.29(15) . . . .
C21 C22 C23 C24 0.0(3) . . . .
C22 C23 C24 C25 0.5(3) . . . .
C23 C24 C25 C26 -0.3(3) . . . .
C24 C25 C26 C21 -0.4(3) . . . .
C22 C21 C26 C25 0.9(3) . . . .
P1 C21 C26 C25 177.51(16) . . . .
C41 P2 C31 C36 96.84(18) . . . .
C4 P2 C31 C36 -21.41(19) . . . .
Sb P2 C31 C36 -122.13(16) . . . .
C41 P2 C31 C32 -83.68(16) . . . .
C4 P2 C31 C32 158.07(14) . . . .
Sb P2 C31 C32 57.35(16) . . . .
C36 C31 C32 C33 -0.3(3) . . . .
P2 C31 C32 C33 -179.79(16) . . . .
C31 C32 C33 C34 0.9(3) . . . .
C32 C33 C34 C35 -0.9(4) . . . .
C33 C34 C35 C36 0.3(4) . . . .
C34 C35 C36 C31 0.4(4) . . . .
C32 C31 C36 C35 -0.4(3) . . . .
P2 C31 C36 C35 179.12(18) . . . .
C31 P2 C41 C46 -107.63(17) . . . .
C4 P2 C41 C46 12.31(18) . . . .
Sb P2 C41 C46 115.96(15) . . . .
C31 P2 C41 C42 73.86(17) . . . .
C4 P2 C41 C42 -166.19(15) . . . .
Sb P2 C41 C42 -62.55(17) . . . .
C46 C41 C42 C43 -1.3(3) . . . .
P2 C41 C42 C43 177.21(17) . . . .
C41 C42 C43 C44 0.2(3) . . . .
C42 C43 C44 C45 0.6(4) . . . .
C43 C44 C45 C46 -0.3(4) . . . .
C44 C45 C46 C41 -0.8(3) . . . .
C42 C41 C46 C45 1.6(3) . . . .
P2 C41 C46 C45 -176.91(17) . . . .
