#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/83/7018322.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_7018322
loop_
_publ_author_name
'Bhargava, Suresh'
'Kitadai, Kunihiko'
'Masashi, Takahashi'
'Drumm, Daniel W.'
'Russo, Salvy P.'
'Yam, Vivian Wing-Wah'
'Lee, Terence Kwok-Ming'
'Wagler, Jörg'
'Mirzadeh, Nedaossadat'
_publ_section_title
;
 Synthesis and structures of cyclic gold complexes containing diphosphine
 ligands and luminescent properties of the high nuclearity species.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4789
_journal_page_last               4798
_journal_paper_doi               10.1039/c2dt11722c
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C78 H66 Au3 P6, 3(C F3 O3 S), 7(C H2 Cl2)'
_chemical_formula_sum            'C88 H80 Au3 Cl14 F9 O9 P6 S3'
_chemical_formula_weight         2821.71
_chemical_name_systematic
;
?
;
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   19.9108(2)
_cell_length_b                   19.9108(2)
_cell_length_c                   39.4563(7)
_cell_measurement_reflns_used    9902
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.80
_cell_measurement_theta_min      2.38
_cell_volume                     13546.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0555
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            77102
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    5.531
_exptl_absorpt_correction_T_max  0.5566
_exptl_absorpt_correction_T_min  0.4741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.075
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       piece
_exptl_crystal_F_000             8244
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.730
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.089
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         7265
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0256
_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)+(0.0395P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0626
_reflns_number_gt                6920
_reflns_number_total             7265
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11722c.txt
_cod_data_source_block           compound_1_1
_cod_original_sg_symbol_Hall     ' R 3 -2"c '
_cod_original_sg_symbol_H-M      R3c
_cod_database_code               7018322
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z+1/2'
'-x+y, y, z+1/2'
'x, x-y, z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+5/6'
'-x+y+2/3, y+1/3, z+5/6'
'x+2/3, x-y+1/3, z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+7/6'
'-x+y+1/3, y+2/3, z+7/6'
'x+1/3, x-y+2/3, z+7/6'
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
Au1 Au 0.206037(8) 0.066111(9) 0.137112(4) 0.02628(5) Uani 1 1 d .
P1 P 0.25615(6) 0.19412(7) 0.15112(3) 0.0288(2) Uani 1 1 d .
P2 P 0.05888(6) 0.22613(6) 0.12018(3) 0.0251(2) Uani 1 1 d .
C1 C 0.2867(3) 0.2189(3) 0.19457(13) 0.0320(10) Uani 1 1 d .
C2 C 0.3655(4) 0.2579(5) 0.2042(2) 0.078(3) Uani 1 1 d .
H2 H 0.4049 0.2717 0.1877 0.094 Uiso 1 1 calc R
C3 C 0.3848(4) 0.2757(5) 0.23768(18) 0.072(2) Uani 1 1 d .
H3 H 0.4377 0.3042 0.2443 0.086 Uiso 1 1 calc R
C4 C 0.3281(4) 0.2526(4) 0.26119(16) 0.0571(17) Uani 1 1 d .
H4 H 0.3418 0.2642 0.2844 0.068 Uiso 1 1 calc R
C5 C 0.2531(4) 0.2135(4) 0.25248(15) 0.0532(15) Uani 1 1 d .
H5 H 0.2145 0.1978 0.2696 0.064 Uiso 1 1 calc R
C6 C 0.2310(3) 0.1959(3) 0.21915(14) 0.0454(13) Uani 1 1 d .
H6 H 0.1776 0.1679 0.2133 0.054 Uiso 1 1 calc R
C7 C 0.3390(3) 0.2551(3) 0.12404(13) 0.0396(11) Uani 1 1 d .
C8 C 0.3873(4) 0.2308(4) 0.1136(2) 0.083(3) Uani 1 1 d .
H8 H 0.3763 0.1808 0.1209 0.100 Uiso 1 1 calc R
C9 C 0.4516(5) 0.2715(5) 0.0933(3) 0.099(4) Uani 1 1 d .
H9 H 0.4841 0.2516 0.0866 0.119 Uiso 1 1 calc R
C10 C 0.4648(4) 0.3446(5) 0.0834(2) 0.074(2) Uani 1 1 d .
H10 H 0.5099 0.3768 0.0705 0.089 Uiso 1 1 calc R
C11 C 0.4153(3) 0.3727(4) 0.09158(16) 0.0559(17) Uani 1 1 d .
H11 H 0.4235 0.4208 0.0830 0.067 Uiso 1 1 calc R
C12 C 0.3523(4) 0.3264(3) 0.11323(14) 0.0485(14) Uani 1 1 d .
H12 H 0.3187 0.3447 0.1204 0.058 Uiso 1 1 calc R
C13 C 0.1892(3) 0.2282(3) 0.14570(11) 0.0299(9) Uani 1 1 d .
H13 H 0.2001 0.2756 0.1562 0.036 Uiso 1 1 calc R
C14 C 0.1255(2) 0.1904(3) 0.12782(11) 0.0265(9) Uani 1 1 d .
H14 H 0.1135 0.1418 0.1184 0.032 Uiso 1 1 calc R
C15 C 0.0993(3) 0.3166(3) 0.14368(12) 0.0322(10) Uani 1 1 d .
C16 C 0.0828(5) 0.3118(4) 0.17675(17) 0.092(3) Uani 1 1 d .
H16 H 0.0466 0.2629 0.1861 0.111 Uiso 1 1 calc R
C17 C 0.1171(5) 0.3766(5) 0.1980(2) 0.102(4) Uani 1 1 d .
H17 H 0.1065 0.3715 0.2217 0.122 Uiso 1 1 calc R
C18 C 0.1662(4) 0.4472(4) 0.1840(2) 0.068(2) Uani 1 1 d .
H18 H 0.1880 0.4926 0.1977 0.081 Uiso 1 1 calc R
C19 C 0.1837(4) 0.4525(4) 0.1506(2) 0.065(2) Uani 1 1 d .
H19 H 0.2183 0.5019 0.1411 0.077 Uiso 1 1 calc R
C20 C 0.1524(4) 0.3878(3) 0.13012(16) 0.0513(15) Uani 1 1 d .
H20 H 0.1671 0.3920 0.1070 0.062 Uiso 1 1 calc R
C21 C 0.0700(3) 0.2467(3) 0.07550(12) 0.0274(9) Uani 1 1 d .
C22 C 0.1444(3) 0.2834(3) 0.06034(15) 0.0490(13) Uani 1 1 d .
H22 H 0.1891 0.2988 0.0740 0.059 Uiso 1 1 calc R
C23 C 0.1527(4) 0.2971(4) 0.02566(14) 0.0580(17) Uani 1 1 d .
H23 H 0.2026 0.3206 0.0154 0.070 Uiso 1 1 calc R
C24 C 0.0885(4) 0.2762(4) 0.00656(17) 0.0599(18) Uani 1 1 d .
H24 H 0.0939 0.2868 -0.0171 0.072 Uiso 1 1 calc R
C25 C 0.0151(3) 0.2399(4) 0.02094(14) 0.0510(15) Uani 1 1 d .
H25 H -0.0292 0.2246 0.0070 0.061 Uiso 1 1 calc R
C26 C 0.0059(3) 0.2258(3) 0.05551(13) 0.0376(11) Uani 1 1 d .
H26 H -0.0443 0.2018 0.0653 0.045 Uiso 1 1 calc R
S1 S 0.0000 0.0000 0.19631(6) 0.0419(5) Uani 1 3 d S
F1 F 0.06902(18) 0.05220(19) 0.25488(9) 0.0501(8) Uani 1 1 d .
C27 C 0.0000 0.0000 0.2417(2) 0.0384(19) Uani 1 3 d S
O1 O 0.0623(3) -0.0131(3) 0.18810(12) 0.0649(13) Uani 1 1 d .
S2 S 0.3333 0.6667 0.24044(5) 0.0252(4) Uani 1 3 d S
F2 F 0.37656(19) 0.73811(19) 0.18156(8) 0.0508(8) Uani 1 1 d .
O2 O 0.2957(2) 0.58525(18) 0.24842(9) 0.0364(8) Uani 1 1 d .
C28 C 0.3333 0.6667 0.1938(2) 0.0367(19) Uani 1 3 d S
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'
Au Au -2.0133 8.8022 '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'
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
P1 Au1 P2 174.20(4) . 3
C13 P1 C1 102.9(2) . .
C13 P1 C7 105.9(2) . .
C1 P1 C7 107.8(2) . .
C13 P1 Au1 113.64(16) . .
C1 P1 Au1 115.65(15) . .
C7 P1 Au1 110.17(17) . .
C21 P2 C14 102.8(2) . .
C21 P2 C15 109.3(2) . .
C14 P2 C15 104.8(2) . .
C21 P2 Au1 114.68(15) . 2
C14 P2 Au1 112.83(14) . 2
C15 P2 Au1 111.60(15) . 2
C6 C1 C2 119.0(5) . .
C6 C1 P1 118.4(4) . .
C2 C1 P1 122.5(5) . .
C3 C2 C1 119.5(7) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C4 C3 C2 119.7(6) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C5 C4 C3 121.4(6) . .
C5 C4 H4 119.3 . .
C3 C4 H4 119.3 . .
C4 C5 C6 121.0(6) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
C1 C6 C5 119.4(5) . .
C1 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
C8 C7 C12 118.4(5) . .
C8 C7 P1 120.8(5) . .
C12 C7 P1 120.8(4) . .
C7 C8 C9 126.1(7) . .
C7 C8 H8 117.0 . .
C9 C8 H8 117.0 . .
C8 C9 C10 114.2(7) . .
C8 C9 H9 122.9 . .
C10 C9 H9 122.9 . .
C11 C10 C9 123.4(6) . .
C11 C10 H10 118.3 . .
C9 C10 H10 118.3 . .
C10 C11 C12 117.0(7) . .
C10 C11 H11 121.5 . .
C12 C11 H11 121.5 . .
C7 C12 C11 120.7(6) . .
C7 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
C14 C13 P1 122.6(4) . .
C14 C13 H13 118.7 . .
P1 C13 H13 118.7 . .
C13 C14 P2 123.4(3) . .
C13 C14 H14 118.3 . .
P2 C14 H14 118.3 . .
C16 C15 C20 119.0(5) . .
C16 C15 P2 117.1(4) . .
C20 C15 P2 123.4(4) . .
C15 C16 C17 122.1(7) . .
C15 C16 H16 118.9 . .
C17 C16 H16 118.9 . .
C18 C17 C16 118.4(7) . .
C18 C17 H17 120.8 . .
C16 C17 H17 120.8 . .
C19 C18 C17 119.9(6) . .
C19 C18 H18 120.1 . .
C17 C18 H18 120.1 . .
C18 C19 C20 121.3(7) . .
C18 C19 H19 119.4 . .
C20 C19 H19 119.4 . .
C19 C20 C15 119.2(6) . .
C19 C20 H20 120.4 . .
C15 C20 H20 120.4 . .
C26 C21 C22 119.1(5) . .
C26 C21 P2 120.3(4) . .
C22 C21 P2 120.6(4) . .
C23 C22 C21 120.5(5) . .
C23 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
C24 C23 C22 119.0(6) . .
C24 C23 H23 120.5 . .
C22 C23 H23 120.5 . .
C23 C24 C25 121.2(6) . .
C23 C24 H24 119.4 . .
C25 C24 H24 119.4 . .
C26 C25 C24 120.4(5) . .
C26 C25 H25 119.8 . .
C24 C25 H25 119.8 . .
C21 C26 C25 119.7(5) . .
C21 C26 H26 120.1 . .
C25 C26 H26 120.1 . .
O1 S1 O1 115.01(16) . 3
O1 S1 O1 115.01(16) . 2
O1 S1 O1 115.01(16) 3 2
O1 S1 C27 103.1(2) . .
O1 S1 C27 103.1(2) 3 .
O1 S1 C27 103.1(2) 2 .
F1 C27 F1 106.0(4) 3 .
F1 C27 F1 106.0(4) 3 2
F1 C27 F1 106.0(4) . 2
F1 C27 S1 112.8(4) 3 .
F1 C27 S1 112.8(4) . .
F1 C27 S1 112.8(4) 2 .
O2 S2 O2 115.36(11) 3_565 2_665
O2 S2 O2 115.36(11) 3_565 .
O2 S2 O2 115.36(11) 2_665 .
O2 S2 C28 102.63(16) 3_565 .
O2 S2 C28 102.63(16) 2_665 .
O2 S2 C28 102.63(16) . .
F2 C28 F2 107.6(4) 2_665 .
F2 C28 F2 107.6(4) 2_665 3_565
F2 C28 F2 107.6(4) . 3_565
F2 C28 S2 111.3(4) 2_665 .
F2 C28 S2 111.3(4) . .
F2 C28 S2 111.3(4) 3_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.2923(11) .
Au1 P2 2.3054(11) 3
P1 C13 1.786(4) .
P1 C1 1.803(5) .
P1 C7 1.826(5) .
P2 C21 1.798(5) .
P2 C14 1.816(4) .
P2 C15 1.818(4) .
C1 C6 1.368(7) .
C1 C2 1.412(7) .
C2 C3 1.370(10) .
C2 H2 0.9500 .
C3 C4 1.351(10) .
C3 H3 0.9500 .
C4 C5 1.339(9) .
C4 H4 0.9500 .
C5 C6 1.376(8) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.341(8) .
C7 C12 1.375(8) .
C8 C9 1.377(10) .
C8 H8 0.9500 .
C9 C10 1.401(12) .
C9 H9 0.9500 .
C10 C11 1.393(10) .
C10 H10 0.9500 .
C11 C12 1.413(8) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.311(6) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C16 1.337(8) .
C15 C20 1.384(7) .
C16 C17 1.397(8) .
C16 H16 0.9500 .
C17 C18 1.366(11) .
C17 H17 0.9500 .
C18 C19 1.355(11) .
C18 H18 0.9500 .
C19 C20 1.378(8) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C26 1.375(6) .
C21 C22 1.416(7) .
C22 C23 1.389(7) .
C22 H22 0.9500 .
C23 C24 1.358(9) .
C23 H23 0.9500 .
C24 C25 1.387(9) .
C24 H24 0.9500 .
C25 C26 1.386(7) .
C25 H25 0.9500 .
C26 H26 0.9500 .
S1 O1 1.427(5) .
S1 C27 1.790(9) .
F1 C27 1.346(5) .
S2 O2 1.440(3) .
S2 C28 1.840(9) .
F2 C28 1.332(5) .
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
C13 P1 C1 C6 51.9(4) . .
C7 P1 C1 C6 163.6(4) . .
Au1 P1 C1 C6 -72.6(4) . .
C13 P1 C1 C2 -131.0(5) . .
C7 P1 C1 C2 -19.3(6) . .
Au1 P1 C1 C2 104.5(5) . .
C6 C1 C2 C3 -3.6(11) . .
P1 C1 C2 C3 179.3(6) . .
C1 C2 C3 C4 3.1(13) . .
C2 C3 C4 C5 -1.2(12) . .
C3 C4 C5 C6 -0.2(10) . .
C2 C1 C6 C5 2.2(9) . .
P1 C1 C6 C5 179.4(4) . .
C4 C5 C6 C1 -0.3(9) . .
C13 P1 C7 C8 -158.3(6) . .
C1 P1 C7 C8 92.0(6) . .
Au1 P1 C7 C8 -35.0(7) . .
C13 P1 C7 C12 20.2(5) . .
C1 P1 C7 C12 -89.4(5) . .
Au1 P1 C7 C12 143.5(4) . .
C12 C7 C8 C9 1.6(14) . .
P1 C7 C8 C9 -179.8(9) . .
C7 C8 C9 C10 0.0(17) . .
C8 C9 C10 C11 -3.6(16) . .
C9 C10 C11 C12 5.2(12) . .
C8 C7 C12 C11 0.2(9) . .
P1 C7 C12 C11 -178.4(4) . .
C10 C11 C12 C7 -3.4(9) . .
C1 P1 C13 C14 -141.8(4) . .
C7 P1 C13 C14 105.2(4) . .
Au1 P1 C13 C14 -15.9(5) . .
P1 C13 C14 P2 -176.8(2) . .
C21 P2 C14 C13 111.7(4) . .
C15 P2 C14 C13 -2.6(5) . .
Au1 P2 C14 C13 -124.2(4) 2 .
C21 P2 C15 C16 167.4(6) . .
C14 P2 C15 C16 -83.0(6) . .
Au1 P2 C15 C16 39.4(6) 2 .
C21 P2 C15 C20 -20.3(5) . .
C14 P2 C15 C20 89.3(5) . .
Au1 P2 C15 C20 -148.2(4) 2 .
C20 C15 C16 C17 0.5(14) . .
P2 C15 C16 C17 173.2(9) . .
C15 C16 C17 C18 3.1(17) . .
C16 C17 C18 C19 -3.5(15) . .
C17 C18 C19 C20 0.5(13) . .
C18 C19 C20 C15 3.0(10) . .
C16 C15 C20 C19 -3.5(10) . .
P2 C15 C20 C19 -175.7(5) . .
C14 P2 C21 C26 136.7(4) . .
C15 P2 C21 C26 -112.4(4) . .
Au1 P2 C21 C26 13.9(4) 2 .
C14 P2 C21 C22 -42.2(4) . .
C15 P2 C21 C22 68.7(4) . .
Au1 P2 C21 C22 -165.1(4) 2 .
C26 C21 C22 C23 -1.0(8) . .
P2 C21 C22 C23 177.9(5) . .
C21 C22 C23 C24 1.4(10) . .
C22 C23 C24 C25 -1.8(11) . .
C23 C24 C25 C26 1.7(11) . .
C22 C21 C26 C25 0.9(8) . .
P2 C21 C26 C25 -178.1(4) . .
C24 C25 C26 C21 -1.2(9) . .
O1 S1 C27 F1 -64.1(3) . 3
O1 S1 C27 F1 55.9(3) 3 3
O1 S1 C27 F1 175.9(3) 2 3
O1 S1 C27 F1 55.9(3) . .
O1 S1 C27 F1 175.9(3) 3 .
O1 S1 C27 F1 -64.1(3) 2 .
O1 S1 C27 F1 175.9(3) . 2
O1 S1 C27 F1 -64.1(3) 3 2
O1 S1 C27 F1 55.9(3) 2 2
O2 S2 C28 F2 -50.6(2) 3_565 2_665
O2 S2 C28 F2 -170.6(2) 2_665 2_665
O2 S2 C28 F2 69.4(2) . 2_665
O2 S2 C28 F2 69.4(2) 3_565 .
O2 S2 C28 F2 -50.6(2) 2_665 .
O2 S2 C28 F2 -170.6(2) . .
O2 S2 C28 F2 -170.6(2) 3_565 3_565
O2 S2 C28 F2 69.4(2) 2_665 3_565
O2 S2 C28 F2 -50.6(2) . 3_565
