#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/73/7117385.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_7117385
loop_
_publ_author_name
'Chen Tan'
'Peng Wang'
'Huan Liu'
'Xiao-Li Zhao'
'Yong Lu'
'Ye Liu'
_publ_section_title
;
 Bifunctional ligands in combination with phosphines and Lewis acidic
 phospheniums for the carbonylative Sonogashira reaction
;
_journal_name_full               Chem.Commun.
_journal_page_first              10871
_journal_paper_doi               10.1039/C5cc03697F
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C34 H32 Au Cl F3 N O3 P2 S'
_chemical_formula_weight         886.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-03-23 deposited with the CCDC.
2015-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.0157(4)
_cell_length_b                   15.2244(4)
_cell_length_c                   27.1217(7)
_cell_measurement_temperature    296(2)
_cell_volume                     7026.0(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0753
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            78591
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    4.465
_exptl_absorpt_correction_T_max  0.5737
_exptl_absorpt_correction_T_min  0.3786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3488
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.781
_refine_diff_density_min         -0.563
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6180
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0321
_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)+(0.0319P)²+12.3513P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0797
_reflns_number_gt                4505
_reflns_number_total             6180
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc03697f2.cif
_cod_data_source_block           z1
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7117385
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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
Au1 Au -0.618329(12) -0.278401(13) 0.303866(8) 0.04498(8) Uani 1 1 d . . .
Cl1 Cl -0.68965(11) -0.40272(10) 0.29150(7) 0.0843(6) Uani 1 1 d . . .
P1 P -0.59785(7) -0.15186(8) 0.41228(5) 0.0340(3) Uani 1 1 d . . .
P2 P -0.54251(7) -0.16013(8) 0.30944(5) 0.0356(3) Uani 1 1 d . . .
N1 N -0.5501(2) -0.1070(2) 0.36496(14) 0.0328(9) Uani 1 1 d . . .
C1 C -0.4397(3) -0.1887(3) 0.30220(19) 0.0401(12) Uani 1 1 d . . .
C2 C -0.4166(3) -0.2231(4) 0.2579(2) 0.0597(16) Uani 1 1 d . . .
H2A H -0.4517 -0.2237 0.2316 0.072 Uiso 1 1 calc R . .
C3 C -0.3423(4) -0.2567(4) 0.2517(2) 0.0631(17) Uani 1 1 d . . .
H3A H -0.3272 -0.2799 0.2214 0.076 Uiso 1 1 calc R . .
C4 C -0.2908(4) -0.2556(5) 0.2903(3) 0.0694(19) Uani 1 1 d . . .
H4A H -0.2409 -0.2796 0.2866 0.083 Uiso 1 1 calc R . .
C5 C -0.3126(3) -0.2191(4) 0.3348(2) 0.0628(17) Uani 1 1 d . . .
H5A H -0.2770 -0.2173 0.3608 0.075 Uiso 1 1 calc R . .
C6 C -0.3868(3) -0.1854(4) 0.3407(2) 0.0487(14) Uani 1 1 d . . .
H6A H -0.4013 -0.1604 0.3706 0.058 Uiso 1 1 calc R . .
C7 C -0.5641(3) -0.0805(3) 0.26172(18) 0.0403(12) Uani 1 1 d . . .
C8 C -0.6407(3) -0.0743(4) 0.24478(19) 0.0475(13) Uani 1 1 d . . .
H8A H -0.6796 -0.1098 0.2582 0.057 Uiso 1 1 calc R . .
C9 C -0.6591(4) -0.0156(4) 0.2081(2) 0.0642(17) Uani 1 1 d . . .
H9A H -0.7110 -0.0104 0.1976 0.077 Uiso 1 1 calc R . .
C10 C -0.6017(5) 0.0360(5) 0.1866(2) 0.074(2) Uani 1 1 d . . .
H10A H -0.6145 0.0754 0.1617 0.089 Uiso 1 1 calc R . .
C11 C -0.5263(5) 0.0284(4) 0.2025(2) 0.0706(19) Uani 1 1 d . . .
H11A H -0.4875 0.0624 0.1878 0.085 Uiso 1 1 calc R . .
C12 C -0.5061(3) -0.0290(4) 0.2400(2) 0.0530(15) Uani 1 1 d . . .
H12A H -0.4542 -0.0331 0.2506 0.064 Uiso 1 1 calc R . .
C13 C -0.5654(3) -0.2618(3) 0.42293(18) 0.0386(12) Uani 1 1 d . . .
C14 C -0.4873(3) -0.2744(4) 0.4379(2) 0.0512(14) Uani 1 1 d . . .
H14A H -0.4543 -0.2263 0.4422 0.061 Uiso 1 1 calc R . .
C15 C -0.4596(4) -0.3577(5) 0.4463(2) 0.0702(19) Uani 1 1 d . . .
H15A H -0.4075 -0.3658 0.4555 0.084 Uiso 1 1 calc R . .
C16 C -0.5080(5) -0.4289(4) 0.4411(3) 0.077(2) Uani 1 1 d . . .
H16A H -0.4884 -0.4851 0.4463 0.092 Uiso 1 1 calc R . .
C17 C -0.5840(5) -0.4179(4) 0.4284(2) 0.0714(19) Uani 1 1 d . . .
H17A H -0.6168 -0.4665 0.4261 0.086 Uiso 1 1 calc R . .
C18 C -0.6136(4) -0.3347(4) 0.4187(2) 0.0525(14) Uani 1 1 d . . .
H18A H -0.6658 -0.3279 0.4093 0.063 Uiso 1 1 calc R . .
C19 C -0.7018(3) -0.1492(3) 0.40301(18) 0.0379(12) Uani 1 1 d . . .
C20 C -0.7499(3) -0.1913(4) 0.4375(2) 0.0516(14) Uani 1 1 d . . .
H20A H -0.7280 -0.2197 0.4646 0.062 Uiso 1 1 calc R . .
C21 C -0.8305(4) -0.1901(4) 0.4307(3) 0.0670(18) Uani 1 1 d . . .
H21A H -0.8631 -0.2179 0.4534 0.080 Uiso 1 1 calc R . .
C22 C -0.8628(3) -0.1482(4) 0.3907(3) 0.0625(17) Uani 1 1 d . . .
H22A H -0.9169 -0.1493 0.3858 0.075 Uiso 1 1 calc R . .
C23 C -0.8155(3) -0.1049(4) 0.3580(2) 0.0551(15) Uani 1 1 d . . .
H23A H -0.8377 -0.0754 0.3314 0.066 Uiso 1 1 calc R . .
C24 C -0.7349(3) -0.1045(3) 0.36432(19) 0.0438(13) Uani 1 1 d . . .
H24A H -0.7030 -0.0740 0.3423 0.053 Uiso 1 1 calc R . .
C25 C -0.5750(3) -0.0895(3) 0.46549(18) 0.0439(13) Uani 1 1 d . . .
H25A H -0.5192 -0.0904 0.4709 0.066 Uiso 1 1 calc R . .
H25B H -0.6012 -0.1143 0.4936 0.066 Uiso 1 1 calc R . .
H25C H -0.5921 -0.0300 0.4609 0.066 Uiso 1 1 calc R . .
C26 C -0.5081(3) -0.0212(3) 0.37018(19) 0.0387(12) Uani 1 1 d . . .
H26A H -0.4677 -0.0179 0.3450 0.046 Uiso 1 1 calc R . .
H26B H -0.4820 -0.0201 0.4020 0.046 Uiso 1 1 calc R . .
C27 C -0.5602(3) 0.0598(3) 0.3660(2) 0.0428(12) Uani 1 1 d . . .
H27A H -0.5846 0.0619 0.3337 0.051 Uiso 1 1 calc R . .
H27B H -0.6014 0.0577 0.3907 0.051 Uiso 1 1 calc R . .
C28 C -0.5096(3) 0.1404(3) 0.37374(19) 0.0391(12) Uani 1 1 d . . .
C29 C -0.5019(3) 0.1781(4) 0.4197(2) 0.0476(13) Uani 1 1 d . . .
H29A H -0.5310 0.1565 0.4460 0.057 Uiso 1 1 calc R . .
C30 C -0.4514(4) 0.2475(4) 0.4268(2) 0.0568(16) Uani 1 1 d . . .
H30A H -0.4456 0.2710 0.4582 0.068 Uiso 1 1 calc R . .
C31 C -0.4097(4) 0.2823(4) 0.3887(3) 0.0636(17) Uani 1 1 d . . .
H31A H -0.3773 0.3307 0.3937 0.076 Uiso 1 1 calc R . .
C32 C -0.4164(4) 0.2445(4) 0.3424(3) 0.0620(17) Uani 1 1 d . . .
H32A H -0.3880 0.2672 0.3160 0.074 Uiso 1 1 calc R . .
C33 C -0.4649(3) 0.1737(4) 0.3356(2) 0.0514(14) Uani 1 1 d . . .
H33A H -0.4678 0.1476 0.3046 0.062 Uiso 1 1 calc R . .
S1 S -0.19488(8) 0.39857(10) 0.47963(5) 0.0491(3) Uani 1 1 d . . .
O1 O -0.2283(3) 0.3186(3) 0.46311(18) 0.0889(15) Uani 1 1 d . . .
O2 O -0.2062(3) 0.4205(3) 0.53010(16) 0.0818(14) Uani 1 1 d . . .
O3 O -0.1169(2) 0.4143(3) 0.46348(17) 0.0751(13) Uani 1 1 d . . .
F1 F -0.2287(4) 0.5606(3) 0.4580(2) 0.139(2) Uani 1 1 d . . .
F2 F -0.2454(4) 0.4702(3) 0.39958(19) 0.153(3) Uani 1 1 d . . .
F3 F -0.3250(3) 0.4732(5) 0.4567(3) 0.180(3) Uani 1 1 d . . .
C01 C -0.2495(5) 0.4808(5) 0.4468(3) 0.087(2) 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'
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'
P P 0.1023 0.0942 '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'
S S 0.1246 0.1234 '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'
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
P2 Au1 Cl1 174.56(7) . .
N1 P1 C25 107.5(2) . .
N1 P1 C13 111.0(2) . .
C25 P1 C13 107.6(2) . .
N1 P1 C19 111.4(2) . .
C25 P1 C19 108.6(2) . .
C13 P1 C19 110.5(2) . .
N1 P2 C7 107.3(2) . .
N1 P2 C1 106.3(2) . .
C7 P2 C1 106.2(2) . .
N1 P2 Au1 113.47(14) . .
C7 P2 Au1 112.09(17) . .
C1 P2 Au1 111.01(17) . .
C26 N1 P1 121.2(3) . .
C26 N1 P2 117.3(3) . .
P1 N1 P2 121.4(2) . .
C2 C1 C6 119.4(5) . .
C2 C1 P2 117.7(4) . .
C6 C1 P2 122.6(4) . .
C1 C2 C3 121.0(6) . .
C1 C2 H2A 119.5 . .
C3 C2 H2A 119.5 . .
C4 C3 C2 119.5(6) . .
C4 C3 H3A 120.3 . .
C2 C3 H3A 120.3 . .
C3 C4 C5 120.1(6) . .
C3 C4 H4A 119.9 . .
C5 C4 H4A 119.9 . .
C6 C5 C4 120.1(6) . .
C6 C5 H5A 120.0 . .
C4 C5 H5A 120.0 . .
C5 C6 C1 119.9(5) . .
C5 C6 H6A 120.0 . .
C1 C6 H6A 120.0 . .
C8 C7 C12 119.2(5) . .
C8 C7 P2 118.3(4) . .
C12 C7 P2 122.4(4) . .
C9 C8 C7 120.0(5) . .
C9 C8 H8A 120.0 . .
C7 C8 H8A 120.0 . .
C8 C9 C10 120.9(6) . .
C8 C9 H9A 119.6 . .
C10 C9 H9A 119.6 . .
C11 C10 C9 119.1(6) . .
C11 C10 H10A 120.5 . .
C9 C10 H10A 120.5 . .
C10 C11 C12 121.5(6) . .
C10 C11 H11A 119.3 . .
C12 C11 H11A 119.3 . .
C11 C12 C7 119.3(6) . .
C11 C12 H12A 120.3 . .
C7 C12 H12A 120.3 . .
C18 C13 C14 118.4(5) . .
C18 C13 P1 123.7(4) . .
C14 C13 P1 117.8(4) . .
C15 C14 C13 120.0(6) . .
C15 C14 H14A 120.0 . .
C13 C14 H14A 120.0 . .
C16 C15 C14 120.6(6) . .
C16 C15 H15A 119.7 . .
C14 C15 H15A 119.7 . .
C17 C16 C15 120.3(6) . .
C17 C16 H16A 119.8 . .
C15 C16 H16A 119.8 . .
C16 C17 C18 120.6(6) . .
C16 C17 H17A 119.7 . .
C18 C17 H17A 119.7 . .
C13 C18 C17 120.0(6) . .
C13 C18 H18A 120.0 . .
C17 C18 H18A 120.0 . .
C24 C19 C20 120.0(5) . .
C24 C19 P1 121.6(4) . .
C20 C19 P1 118.3(4) . .
C21 C20 C19 118.9(5) . .
C21 C20 H20A 120.5 . .
C19 C20 H20A 120.5 . .
C22 C21 C20 120.5(6) . .
C22 C21 H21A 119.7 . .
C20 C21 H21A 119.7 . .
C23 C22 C21 120.1(5) . .
C23 C22 H22A 120.0 . .
C21 C22 H22A 120.0 . .
C22 C23 C24 120.4(5) . .
C22 C23 H23A 119.8 . .
C24 C23 H23A 119.8 . .
C19 C24 C23 120.0(5) . .
C19 C24 H24A 120.0 . .
C23 C24 H24A 120.0 . .
P1 C25 H25A 109.5 . .
P1 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
P1 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N1 C26 C27 115.0(4) . .
N1 C26 H26A 108.5 . .
C27 C26 H26A 108.5 . .
N1 C26 H26B 108.5 . .
C27 C26 H26B 108.5 . .
H26A C26 H26B 107.5 . .
C28 C27 C26 108.3(4) . .
C28 C27 H27A 110.0 . .
C26 C27 H27A 110.0 . .
C28 C27 H27B 110.0 . .
C26 C27 H27B 110.0 . .
H27A C27 H27B 108.4 . .
C29 C28 C33 118.2(5) . .
C29 C28 C27 121.1(5) . .
C33 C28 C27 120.5(5) . .
C30 C29 C28 120.4(5) . .
C30 C29 H29A 119.8 . .
C28 C29 H29A 119.8 . .
C31 C30 C29 121.2(6) . .
C31 C30 H30A 119.4 . .
C29 C30 H30A 119.4 . .
C30 C31 C32 118.9(6) . .
C30 C31 H31A 120.5 . .
C32 C31 H31A 120.5 . .
C33 C32 C31 119.9(6) . .
C33 C32 H32A 120.1 . .
C31 C32 H32A 120.1 . .
C32 C33 C28 121.3(6) . .
C32 C33 H33A 119.4 . .
C28 C33 H33A 119.4 . .
O1 S1 O3 115.0(3) . .
O1 S1 O2 116.9(3) . .
O3 S1 O2 112.6(3) . .
O1 S1 C01 103.6(3) . .
O3 S1 C01 102.3(4) . .
O2 S1 C01 104.1(4) . .
F2 C01 F1 109.5(8) . .
F2 C01 F3 104.2(7) . .
F1 C01 F3 107.5(8) . .
F2 C01 S1 112.1(6) . .
F1 C01 S1 113.1(5) . .
F3 C01 S1 110.0(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P2 2.2203(13) .
Au1 Cl1 2.2732(16) .
P1 N1 1.665(4) .
P1 C25 1.771(5) .
P1 C13 1.786(5) .
P1 C19 1.788(5) .
P2 N1 1.714(4) .
P2 C7 1.811(5) .
P2 C1 1.813(5) .
N1 C26 1.496(6) .
C1 C2 1.368(7) .
C1 C6 1.380(7) .
C2 C3 1.374(8) .
C2 H2A 0.9300 .
C3 C4 1.366(9) .
C3 H3A 0.9300 .
C4 C5 1.380(9) .
C4 H4A 0.9300 .
C5 C6 1.371(7) .
C5 H5A 0.9300 .
C6 H6A 0.9300 .
C7 C8 1.385(7) .
C7 C12 1.392(7) .
C8 C9 1.374(8) .
C8 H8A 0.9300 .
C9 C10 1.383(10) .
C9 H9A 0.9300 .
C10 C11 1.357(9) .
C10 H10A 0.9300 .
C11 C12 1.385(8) .
C11 H11A 0.9300 .
C12 H12A 0.9300 .
C13 C18 1.384(7) .
C13 C14 1.403(7) .
C14 C15 1.372(8) .
C14 H14A 0.9300 .
C15 C16 1.368(10) .
C15 H15A 0.9300 .
C16 C17 1.348(9) .
C16 H16A 0.9300 .
C17 C18 1.389(8) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 C24 1.371(7) .
C19 C20 1.398(7) .
C20 C21 1.385(8) .
C20 H20A 0.9300 .
C21 C22 1.374(8) .
C21 H21A 0.9300 .
C22 C23 1.366(8) .
C22 H22A 0.9300 .
C23 C24 1.383(7) .
C23 H23A 0.9300 .
C24 H24A 0.9300 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 C27 1.524(6) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.513(7) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.378(7) .
C28 C33 1.381(7) .
C29 C30 1.375(8) .
C29 H29A 0.9300 .
C30 C31 1.360(8) .
C30 H30A 0.9300 .
C31 C32 1.386(9) .
C31 H31A 0.9300 .
C32 C33 1.370(8) .
C32 H32A 0.9300 .
C33 H33A 0.9300 .
S1 O1 1.417(4) .
S1 O3 1.418(4) .
S1 O2 1.422(4) .
S1 C01 1.796(7) .
F1 C01 1.302(8) .
F2 C01 1.292(9) .
F3 C01 1.317(10) .
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
Cl1 Au1 P2 N1 -169.0(5) . . . .
Cl1 Au1 P2 C7 69.3(6) . . . .
Cl1 Au1 P2 C1 -49.3(6) . . . .
C25 P1 N1 C26 -8.6(4) . . . .
C13 P1 N1 C26 -126.0(4) . . . .
C19 P1 N1 C26 110.4(4) . . . .
C25 P1 N1 P2 167.7(3) . . . .
C13 P1 N1 P2 50.2(3) . . . .
C19 P1 N1 P2 -73.3(3) . . . .
C7 P2 N1 C26 -49.1(4) . . . .
C1 P2 N1 C26 64.3(4) . . . .
Au1 P2 N1 C26 -173.4(3) . . . .
C7 P2 N1 P1 134.5(3) . . . .
C1 P2 N1 P1 -112.2(3) . . . .
Au1 P2 N1 P1 10.2(3) . . . .
N1 P2 C1 C2 -172.6(4) . . . .
C7 P2 C1 C2 -58.6(5) . . . .
Au1 P2 C1 C2 63.5(5) . . . .
N1 P2 C1 C6 14.0(5) . . . .
C7 P2 C1 C6 128.0(5) . . . .
Au1 P2 C1 C6 -109.9(4) . . . .
C6 C1 C2 C3 2.0(9) . . . .
P2 C1 C2 C3 -171.6(5) . . . .
C1 C2 C3 C4 -0.1(10) . . . .
C2 C3 C4 C5 -1.7(11) . . . .
C3 C4 C5 C6 1.5(10) . . . .
C4 C5 C6 C1 0.5(10) . . . .
C2 C1 C6 C5 -2.2(9) . . . .
P2 C1 C6 C5 171.1(5) . . . .
N1 P2 C7 C8 -93.2(4) . . . .
C1 P2 C7 C8 153.4(4) . . . .
Au1 P2 C7 C8 32.0(4) . . . .
N1 P2 C7 C12 90.1(5) . . . .
C1 P2 C7 C12 -23.3(5) . . . .
Au1 P2 C7 C12 -144.7(4) . . . .
C12 C7 C8 C9 -2.2(8) . . . .
P2 C7 C8 C9 -179.0(4) . . . .
C7 C8 C9 C10 1.9(9) . . . .
C8 C9 C10 C11 -0.4(10) . . . .
C9 C10 C11 C12 -0.8(11) . . . .
C10 C11 C12 C7 0.5(10) . . . .
C8 C7 C12 C11 1.0(8) . . . .
P2 C7 C12 C11 177.7(5) . . . .
N1 P1 C13 C18 -117.1(5) . . . .
C25 P1 C13 C18 125.4(5) . . . .
C19 P1 C13 C18 7.0(5) . . . .
N1 P1 C13 C14 64.9(5) . . . .
C25 P1 C13 C14 -52.5(5) . . . .
C19 P1 C13 C14 -171.0(4) . . . .
C18 C13 C14 C15 2.3(8) . . . .
P1 C13 C14 C15 -179.6(5) . . . .
C13 C14 C15 C16 -1.3(9) . . . .
C14 C15 C16 C17 -1.0(11) . . . .
C15 C16 C17 C18 2.3(11) . . . .
C14 C13 C18 C17 -1.0(8) . . . .
P1 C13 C18 C17 -179.0(5) . . . .
C16 C17 C18 C13 -1.3(10) . . . .
N1 P1 C19 C24 -8.0(5) . . . .
C25 P1 C19 C24 110.3(4) . . . .
C13 P1 C19 C24 -131.8(4) . . . .
N1 P1 C19 C20 174.4(4) . . . .
C25 P1 C19 C20 -67.3(5) . . . .
C13 P1 C19 C20 50.6(5) . . . .
C24 C19 C20 C21 2.7(8) . . . .
P1 C19 C20 C21 -179.7(5) . . . .
C19 C20 C21 C22 0.0(9) . . . .
C20 C21 C22 C23 -2.1(10) . . . .
C21 C22 C23 C24 1.4(10) . . . .
C20 C19 C24 C23 -3.3(8) . . . .
P1 C19 C24 C23 179.2(4) . . . .
C22 C23 C24 C19 1.2(9) . . . .
P1 N1 C26 C27 -81.6(5) . . . .
P2 N1 C26 C27 102.0(4) . . . .
N1 C26 C27 C28 178.2(4) . . . .
C26 C27 C28 C29 -93.7(6) . . . .
C26 C27 C28 C33 81.1(6) . . . .
C33 C28 C29 C30 0.5(8) . . . .
C27 C28 C29 C30 175.4(5) . . . .
C28 C29 C30 C31 2.1(9) . . . .
C29 C30 C31 C32 -2.6(9) . . . .
C30 C31 C32 C33 0.6(9) . . . .
C31 C32 C33 C28 2.0(9) . . . .
C29 C28 C33 C32 -2.5(8) . . . .
C27 C28 C33 C32 -177.5(5) . . . .
O1 S1 C01 F2 -57.3(7) . . . .
O3 S1 C01 F2 62.6(7) . . . .
O2 S1 C01 F2 -180.0(6) . . . .
O1 S1 C01 F1 178.3(7) . . . .
O3 S1 C01 F1 -61.8(8) . . . .
O2 S1 C01 F1 55.7(8) . . . .
O1 S1 C01 F3 58.1(7) . . . .
O3 S1 C01 F3 178.0(6) . . . .
O2 S1 C01 F3 -64.5(6) . . . .
