#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:46:51 +0200 (Fri 05 de May de 2023) $
#$Revision: 283245 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/22/7712209.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_7712209
loop_
_publ_author_name
'Cairns, Kelsey R.'
'King, Rhys P.'
'Bannister, Robert D.'
'Levason, William'
'Reid, Gillian'
_publ_section_title
;
 Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II)
 triflate complexes with soft phosphine and arsine coordination.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2293
_journal_page_last               2308
_journal_paper_doi               10.1039/d2dt03687h
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C12 H16 F6 O6 P2 Pb S2'
_chemical_formula_sum            'C12 H16 F6 O6 P2 Pb S2'
_chemical_formula_weight         703.50
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-10-06
_audit_creation_method
;
Olex2 1.5-alpha
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2022-10-28 deposited with the CCDC.	2023-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                105.687(2)
_cell_angle_beta                 106.932(2)
_cell_angle_gamma                110.441(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4025(2)
_cell_length_b                   10.4520(2)
_cell_length_c                   11.9474(3)
_cell_measurement_reflns_used    10884
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.7690
_cell_measurement_theta_min      3.5770
_cell_volume                     1059.39(5)
_computing_cell_refinement       'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'hybrid pixel array detector'
_diffrn_detector_area_resol_mean 10
_diffrn_detector_dtime           0.000
_diffrn_detector_type            'Rigaku, HyPix 6000HE'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.849
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      0.00  65.00   0.50    0.50    --   21.25 -99.00   0.00  130
  2  ω    -27.00  52.00   0.50    0.50    --   21.25 -72.00  58.00  158
  3  ω     22.00  64.00   0.50    0.50    --  -18.59  19.00  60.00   84
  4  ω     22.00  64.00   0.50    0.50    --  -18.59  19.00 -30.00   84
  5  ω     22.00  64.00   0.50    0.50    --  -18.59  19.00-120.00   84
  6  ω     22.00  64.00   0.50    0.50    --  -18.59  19.00-150.00   84
  7  ω    -49.00  34.00   0.50    0.50    --  -18.59  72.00-171.00  166
  8  ω    -56.00   9.00   0.50    0.50    --  -18.59 -57.00  60.00  130
  9  ω    -56.00   6.00   0.50    0.50    --  -18.59 -57.00 120.00  124
 10  ω    -56.00   9.00   0.50    0.50    --  -18.59 -57.00-150.00  130
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_details 'Rigaku, UG2 κ goniometer'
_diffrn_measurement_device_type
'Rigaku FRE+ diffractometer with Arc)Sec VHF Varimax confocal mirrors, a UG2 goniometer and HyPix 6000HE detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, Arc)Sec VHF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_reflns_av_R_equivalents  0.0230
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.849
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15069
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.849
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.540
_diffrn_reflns_theta_min         3.576
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    8.389
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.205
_exptl_crystal_description       block
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.462
_refine_diff_density_min         -1.412
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         6025
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0219
_refine_ls_R_factor_gt           0.0192
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+1.6875P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0419
_refine_ls_wR_factor_ref         0.0430
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5671
_reflns_number_total             6025
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03687h3.cif
_cod_data_source_block           '[Pb(OTf)2(o-C6H4(PMe2)2)]'
_cod_depositor_comments
'Adding full bibliography for 7712208--7712219.cif.'
_cod_original_cell_volume        1059.39(4)
_cod_database_code               7712209
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C7(H7), C6(H6), C5(H5)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C9(H9A,H9B,H9C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.50781(2) 0.25025(2) 0.06778(2) 0.01311(3) Uani 1 1 d . . . . .
S2 S 0.29766(7) 0.45111(6) 0.01652(6) 0.01418(11) Uani 1 1 d . . . . .
P1 P 0.67615(7) 0.45304(6) 0.32239(6) 0.01260(11) Uani 1 1 d . . . . .
P2 P 0.37522(7) 0.13164(7) 0.20949(6) 0.01300(11) Uani 1 1 d . . . . .
S1 S 0.80275(7) 0.10831(7) 0.20384(6) 0.01680(12) Uani 1 1 d . . . . .
O5 O 0.3269(2) 0.4330(2) -0.09584(19) 0.0218(4) Uani 1 1 d . . . . .
O1 O 0.6637(2) 0.1221(2) 0.1694(2) 0.0264(4) Uani 1 1 d . . . . .
O4 O 0.3504(2) 0.3747(2) 0.09063(19) 0.0201(4) Uani 1 1 d . . . . .
F2 F 0.6727(2) -0.1042(2) 0.2681(2) 0.0394(5) Uani 1 1 d . . . . .
F6 F 0.04829(19) 0.3424(2) 0.04554(18) 0.0302(4) Uani 1 1 d . . . . .
O3 O 0.8005(2) -0.0035(2) 0.10032(19) 0.0239(4) Uani 1 1 d . . . . .
O6 O 0.3308(2) 0.6004(2) 0.09339(19) 0.0220(4) Uani 1 1 d . . . . .
F5 F 0.0230(2) 0.3993(2) -0.11650(19) 0.0342(4) Uani 1 1 d . . . . .
F1 F 0.7935(2) 0.1160(2) 0.42204(18) 0.0385(5) Uani 1 1 d . . . . .
F4 F 0.0452(2) 0.20112(19) -0.1248(2) 0.0391(5) Uani 1 1 d . . . . .
F3 F 0.9164(2) 0.0059(3) 0.3622(2) 0.0457(5) Uani 1 1 d . . . . .
O2 O 0.9402(2) 0.2471(2) 0.2735(2) 0.0321(5) Uani 1 1 d . . . . .
C8 C 0.5102(3) 0.2223(3) 0.3782(2) 0.0137(4) Uani 1 1 d . . . . .
C3 C 0.6409(3) 0.3593(3) 0.4262(2) 0.0138(4) Uani 1 1 d . . . . .
C10 C 0.3170(3) -0.0673(3) 0.1613(3) 0.0183(5) Uani 1 1 d . . . . .
H10A H 0.241296 -0.122875 0.071461 0.027 Uiso 1 1 calc R U . . .
H10B H 0.272713 -0.101863 0.216210 0.027 Uiso 1 1 calc R U . . .
H10C H 0.405384 -0.084671 0.170208 0.027 Uiso 1 1 calc R U . . .
C11 C 0.8792(3) 0.5452(3) 0.3740(3) 0.0218(5) Uani 1 1 d . . . . .
H11A H 0.914262 0.469427 0.356138 0.033 Uiso 1 1 calc R U . . .
H11B H 0.929701 0.608748 0.466561 0.033 Uiso 1 1 calc R U . . .
H11C H 0.903846 0.607277 0.327363 0.033 Uiso 1 1 calc R U . . .
C4 C 0.7411(3) 0.4274(3) 0.5571(2) 0.0178(5) Uani 1 1 d . . . . .
H4 H 0.828875 0.520998 0.590510 0.021 Uiso 1 1 calc R U . . .
C12 C 0.6299(4) 0.6048(3) 0.3701(3) 0.0244(6) Uani 1 1 d . . . . .
H12A H 0.644407 0.661520 0.317668 0.037 Uiso 1 1 calc R U . . .
H12B H 0.696308 0.671492 0.461017 0.037 Uiso 1 1 calc R U . . .
H12C H 0.523860 0.563455 0.357423 0.037 Uiso 1 1 calc R U . . .
C7 C 0.4828(3) 0.1570(3) 0.4626(2) 0.0181(5) Uani 1 1 d . . . . .
H7 H 0.393956 0.064912 0.431246 0.022 Uiso 1 1 calc R U . . .
C9 C 0.2086(3) 0.1511(3) 0.2094(3) 0.0206(5) Uani 1 1 d . . . . .
H9A H 0.233709 0.257524 0.240199 0.031 Uiso 1 1 calc R U . . .
H9B H 0.174697 0.109988 0.266242 0.031 Uiso 1 1 calc R U . . .
H9C H 0.127242 0.096304 0.121859 0.031 Uiso 1 1 calc R U . . .
C1 C 0.7965(3) 0.0276(3) 0.3208(3) 0.0252(6) Uani 1 1 d . . . . .
C6 C 0.5834(3) 0.2250(3) 0.5907(3) 0.0215(5) Uani 1 1 d . . . . .
H6 H 0.563767 0.179466 0.646809 0.026 Uiso 1 1 calc R U . . .
C2 C 0.0921(3) 0.3426(3) -0.0482(3) 0.0202(5) Uani 1 1 d . . . . .
C5 C 0.7131(3) 0.3596(3) 0.6377(2) 0.0208(5) Uani 1 1 d . . . . .
H5 H 0.782998 0.405223 0.725691 0.025 Uiso 1 1 calc R U . . .
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 '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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pb1 O5 67.88(4) . 2_665 ?
P1 Pb1 O3 138.73(4) . 2_655 ?
P1 Pb1 O6 106.06(4) . 2_665 ?
P2 Pb1 P1 72.473(18) . . ?
P2 Pb1 O5 133.06(4) . 2_665 ?
P2 Pb1 O3 69.25(4) . 2_655 ?
P2 Pb1 O6 178.44(3) . 2_665 ?
O5 Pb1 O6 45.42(5) 2_665 2_665 ?
O1 Pb1 P1 76.99(5) . . ?
O1 Pb1 P2 72.28(5) . . ?
O1 Pb1 O5 120.04(6) . 2_665 ?
O1 Pb1 O3 104.91(6) . 2_655 ?
O1 Pb1 O6 108.02(6) . 2_665 ?
O4 Pb1 P1 79.60(5) . . ?
O4 Pb1 P2 77.71(4) . . ?
O4 Pb1 O5 71.44(6) . 2_665 ?
O4 Pb1 O1 146.26(7) . . ?
O4 Pb1 O3 77.79(6) . 2_655 ?
O4 Pb1 O6 101.57(5) . 2_665 ?
O3 Pb1 O5 133.59(5) 2_655 2_665 ?
O3 Pb1 O6 112.01(5) 2_655 2_665 ?
O5 S2 O4 114.13(12) . . ?
O5 S2 C2 104.05(12) . . ?
O4 S2 C2 101.97(12) . . ?
O6 S2 O5 115.79(12) . . ?
O6 S2 O4 114.16(12) . . ?
O6 S2 C2 104.55(12) . . ?
C3 P1 Pb1 109.94(8) . . ?
C11 P1 Pb1 115.27(10) . . ?
C11 P1 C3 107.06(12) . . ?
C11 P1 C12 104.57(14) . . ?
C12 P1 Pb1 115.39(10) . . ?
C12 P1 C3 103.66(13) . . ?
C8 P2 Pb1 110.07(8) . . ?
C10 P2 Pb1 113.58(9) . . ?
C10 P2 C8 105.61(11) . . ?
C10 P2 C9 104.91(13) . . ?
C9 P2 Pb1 116.67(9) . . ?
C9 P2 C8 105.10(12) . . ?
O1 S1 C1 102.95(13) . . ?
O3 S1 O1 113.03(13) . . ?
O3 S1 C1 103.84(13) . . ?
O2 S1 O1 115.34(13) . . ?
O2 S1 O3 115.71(13) . . ?
O2 S1 C1 103.83(14) . . ?
S1 O1 Pb1 147.76(12) . . ?
S2 O4 Pb1 129.53(12) . . ?
C3 C8 P2 120.81(18) . . ?
C7 C8 P2 120.13(19) . . ?
C7 C8 C3 119.0(2) . . ?
C8 C3 P1 120.63(18) . . ?
C8 C3 C4 119.3(2) . . ?
C4 C3 P1 119.96(18) . . ?
P2 C10 H10A 109.5 . . ?
P2 C10 H10B 109.5 . . ?
P2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
P1 C11 H11A 109.5 . . ?
P1 C11 H11B 109.5 . . ?
P1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.5(2) . . ?
C5 C4 H4 119.7 . . ?
P1 C12 H12A 109.5 . . ?
P1 C12 H12B 109.5 . . ?
P1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C7 H7 119.6 . . ?
C6 C7 C8 120.7(2) . . ?
C6 C7 H7 119.6 . . ?
P2 C9 H9A 109.5 . . ?
P2 C9 H9B 109.5 . . ?
P2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
F2 C1 S1 110.37(19) . . ?
F1 C1 S1 111.5(2) . . ?
F1 C1 F2 107.7(3) . . ?
F3 C1 S1 111.0(2) . . ?
F3 C1 F2 108.1(2) . . ?
F3 C1 F1 107.9(2) . . ?
C7 C6 H6 119.9 . . ?
C7 C6 C5 120.2(2) . . ?
C5 C6 H6 119.9 . . ?
F6 C2 S2 110.98(18) . . ?
F6 C2 F4 108.2(2) . . ?
F5 C2 S2 110.82(19) . . ?
F5 C2 F6 108.2(2) . . ?
F5 C2 F4 107.8(2) . . ?
F4 C2 S2 110.79(19) . . ?
C4 C5 C6 120.2(2) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
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
Pb1 P1 2.7623(6) . ?
Pb1 P2 2.7581(6) . ?
Pb1 O5 3.0193(19) 2_665 ?
Pb1 O1 2.6740(19) . ?
Pb1 O4 2.4504(19) . ?
Pb1 O3 2.9394(19) 2_655 ?
Pb1 O6 3.262(2) 2_665 ?
S2 O5 1.439(2) . ?
S2 O4 1.4586(18) . ?
S2 O6 1.4360(19) . ?
S2 C2 1.824(3) . ?
P1 C3 1.818(2) . ?
P1 C11 1.808(3) . ?
P1 C12 1.810(3) . ?
P2 C8 1.822(2) . ?
P2 C10 1.814(2) . ?
P2 C9 1.815(3) . ?
S1 O1 1.453(2) . ?
S1 O3 1.441(2) . ?
S1 O2 1.430(2) . ?
S1 C1 1.822(3) . ?
F2 C1 1.331(3) . ?
F6 C2 1.327(3) . ?
F5 C2 1.323(3) . ?
F1 C1 1.326(3) . ?
F4 C2 1.329(3) . ?
F3 C1 1.322(3) . ?
C8 C3 1.403(3) . ?
C8 C7 1.403(3) . ?
C3 C4 1.404(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C4 H4 0.9500 . ?
C4 C5 1.379(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C7 H7 0.9500 . ?
C7 C6 1.378(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C6 H6 0.9500 . ?
C6 C5 1.386(4) . ?
C5 H5 0.9500 . ?
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
Pb1 P1 C3 C8 -19.9(2) . . . . ?
Pb1 P1 C3 C4 163.14(18) . . . . ?
Pb1 P2 C8 C3 17.1(2) . . . . ?
Pb1 P2 C8 C7 -164.19(18) . . . . ?
P1 C3 C4 C5 178.1(2) . . . . ?
P2 C8 C3 P1 1.9(3) . . . . ?
P2 C8 C3 C4 178.88(19) . . . . ?
P2 C8 C7 C6 -179.5(2) . . . . ?
O5 S2 O4 Pb1 8.85(18) . . . . ?
O5 S2 C2 F6 176.77(18) . . . . ?
O5 S2 C2 F5 -63.0(2) . . . . ?
O5 S2 C2 F4 56.6(2) . . . . ?
O1 S1 C1 F2 59.5(2) . . . . ?
O1 S1 C1 F1 -60.1(2) . . . . ?
O1 S1 C1 F3 179.5(2) . . . . ?
O4 S2 C2 F6 57.8(2) . . . . ?
O4 S2 C2 F5 178.04(19) . . . . ?
O4 S2 C2 F4 -62.4(2) . . . . ?
O3 S1 O1 Pb1 -87.8(3) . . . . ?
O3 S1 C1 F2 -58.5(2) . . . . ?
O3 S1 C1 F1 -178.2(2) . . . . ?
O3 S1 C1 F3 61.4(2) . . . . ?
O6 S2 O4 Pb1 -127.50(14) . . . . ?
O6 S2 C2 F6 -61.3(2) . . . . ?
O6 S2 C2 F5 58.9(2) . . . . ?
O6 S2 C2 F4 178.4(2) . . . . ?
O2 S1 O1 Pb1 48.4(3) . . . . ?
O2 S1 C1 F2 -179.9(2) . . . . ?
O2 S1 C1 F1 60.4(2) . . . . ?
O2 S1 C1 F3 -60.0(2) . . . . ?
C8 C3 C4 C5 1.0(4) . . . . ?
C8 C7 C6 C5 0.2(4) . . . . ?
C3 C8 C7 C6 -0.8(4) . . . . ?
C3 C4 C5 C6 -1.7(4) . . . . ?
C10 P2 C8 C3 140.1(2) . . . . ?
C10 P2 C8 C7 -41.2(2) . . . . ?
C11 P1 C3 C8 -145.8(2) . . . . ?
C11 P1 C3 C4 37.2(2) . . . . ?
C12 P1 C3 C8 104.0(2) . . . . ?
C12 P1 C3 C4 -73.0(2) . . . . ?
C7 C8 C3 P1 -176.80(19) . . . . ?
C7 C8 C3 C4 0.2(4) . . . . ?
C7 C6 C5 C4 1.0(4) . . . . ?
C9 P2 C8 C3 -109.3(2) . . . . ?
C9 P2 C8 C7 69.4(2) . . . . ?
C1 S1 O1 Pb1 160.8(2) . . . . ?
C2 S2 O4 Pb1 120.37(14) . . . . ?
