#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:14:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179717 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/19/7001917.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_7001917
loop_
_publ_author_name
'Mullice, Lucy A.'
'Thorp-Greenwood, Flora L.'
'Laye, Rebecca H.'
'Coogan, Michael P.'
'Kariuki, Benson M.'
'Pope, Simon J.A.'
_publ_section_title
;
 The coordination chemistry of fluorescent pyridinyl-- and
 quinolinyl--phthalimide ligands with the {AuI--PPh3} cationic unit
;
_journal_issue                   34
_journal_name_full               'Dalton Transactions'
_journal_page_first              6836
_journal_page_last               6842
_journal_paper_doi               10.1039/b905123f
_journal_year                    2009
_chemical_formula_sum            'C33 H24 Au Cl3 F3 N2 O5 P S'
_chemical_formula_weight         951.89
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.781(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6586(10)
_cell_length_b                   11.2141(6)
_cell_length_c                   17.6983(10)
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.32
_cell_volume                     3472.4(3)
_computing_cell_refinement       'Bruker Kappa Apex2(v2.1)'
_computing_data_collection       'Bruker Kappa Apex2(v2.1)'
_computing_data_reduction        'Bruker Kappa Apex2(v2.1)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            42366
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         1.16
_exptl_absorpt_coefficient_mu    4.634
_exptl_absorpt_correction_T_max  0.8014
_exptl_absorpt_correction_T_min  0.3676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.821
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.048
_refine_diff_density_min         -0.733
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         8025
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0212
_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)+(0.0159P)²+4.5326P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0433
_refine_ls_wR_factor_ref         0.0478
_reflns_number_gt                6710
_reflns_number_total             8025
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b905123f.txt
_cod_data_source_block           irl42
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7001917
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
Au1 Au 0.218217(6) 0.490936(8) 0.339544(6) 0.02219(3) Uani 1 1 d . . .
P1 P 0.29742(4) 0.64669(6) 0.36204(4) 0.02023(14) Uani 1 1 d . . .
N1 N 0.00703(12) 0.23062(18) 0.16280(12) 0.0214(5) Uani 1 1 d . . .
N2 N 0.14240(12) 0.34963(18) 0.32023(12) 0.0230(5) Uani 1 1 d . . .
O1 O -0.00419(12) 0.02400(16) 0.16343(12) 0.0318(5) Uani 1 1 d . . .
O2 O 0.00545(12) 0.42697(16) 0.11934(11) 0.0307(4) Uani 1 1 d . . .
C1 C -0.01587(15) 0.1180(2) 0.13123(15) 0.0238(6) Uani 1 1 d . . .
C2 C -0.01069(15) 0.3235(2) 0.10890(15) 0.0242(6) Uani 1 1 d . . .
C3 C -0.05682(15) 0.1439(2) 0.05431(15) 0.0259(6) Uani 1 1 d . . .
C4 C -0.09540(17) 0.0667(3) 0.00174(17) 0.0347(7) Uani 1 1 d . . .
H4A H -0.0965 -0.0167 0.0107 0.042 Uiso 1 1 calc R . .
C5 C -0.13257(19) 0.1173(3) -0.06496(18) 0.0429(8) Uani 1 1 d . . .
H5A H -0.1602 0.0674 -0.1024 0.051 Uiso 1 1 calc R . .
C6 C -0.13003(19) 0.2391(3) -0.07791(18) 0.0437(8) Uani 1 1 d . . .
H6A H -0.1561 0.2709 -0.1240 0.052 Uiso 1 1 calc R . .
C7 C -0.09019(18) 0.3161(3) -0.02503(17) 0.0371(7) Uani 1 1 d . . .
H7A H -0.0879 0.3994 -0.0341 0.045 Uiso 1 1 calc R . .
C8 C -0.05422(16) 0.2652(2) 0.04110(16) 0.0272(6) Uani 1 1 d . . .
C9 C 0.04698(14) 0.2462(2) 0.23716(15) 0.0207(5) Uani 1 1 d . . .
C10 C 0.10411(14) 0.3318(2) 0.25001(15) 0.0222(5) Uani 1 1 d . . .
H10A H 0.1164 0.3785 0.2086 0.027 Uiso 1 1 calc R . .
C11 C 0.12709(16) 0.2810(2) 0.37839(16) 0.0268(6) Uani 1 1 d . . .
H11A H 0.1551 0.2929 0.4275 0.032 Uiso 1 1 calc R . .
C12 C 0.07165(16) 0.1937(2) 0.36861(16) 0.0284(6) Uani 1 1 d . . .
H12A H 0.0620 0.1457 0.4105 0.034 Uiso 1 1 calc R . .
C13 C 0.03028(15) 0.1764(2) 0.29773(16) 0.0250(6) Uani 1 1 d . . .
H13A H -0.0089 0.1179 0.2903 0.030 Uiso 1 1 calc R . .
C14 C 0.25709(14) 0.7828(2) 0.31832(14) 0.0204(5) Uani 1 1 d . . .
C15 C 0.17782(16) 0.7926(3) 0.30304(17) 0.0297(6) Uani 1 1 d . . .
H15A H 0.1465 0.7277 0.3139 0.036 Uiso 1 1 calc R . .
C16 C 0.14457(16) 0.8968(3) 0.27203(17) 0.0334(7) Uani 1 1 d . . .
H16A H 0.0905 0.9033 0.2619 0.040 Uiso 1 1 calc R . .
C17 C 0.18983(16) 0.9908(2) 0.25591(16) 0.0283(6) Uani 1 1 d . . .
H17A H 0.1669 1.0623 0.2351 0.034 Uiso 1 1 calc R . .
C18 C 0.26832(17) 0.9817(2) 0.26988(17) 0.0299(6) Uani 1 1 d . . .
H18A H 0.2994 1.0463 0.2578 0.036 Uiso 1 1 calc R . .
C19 C 0.30198(16) 0.8780(2) 0.30163(17) 0.0287(6) Uani 1 1 d . . .
H19A H 0.3561 0.8724 0.3119 0.034 Uiso 1 1 calc R . .
C20 C 0.31992(15) 0.6755(2) 0.46299(15) 0.0222(5) Uani 1 1 d . . .
C21 C 0.32260(16) 0.5782(2) 0.51212(16) 0.0274(6) Uani 1 1 d . . .
H21A H 0.3111 0.5007 0.4921 0.033 Uiso 1 1 calc R . .
C22 C 0.34199(18) 0.5937(3) 0.59019(17) 0.0355(7) Uani 1 1 d . . .
H22A H 0.3431 0.5272 0.6236 0.043 Uiso 1 1 calc R . .
C23 C 0.35958(19) 0.7060(3) 0.61894(17) 0.0392(8) Uani 1 1 d . . .
H23A H 0.3740 0.7166 0.6722 0.047 Uiso 1 1 calc R . .
C24 C 0.35639(19) 0.8032(3) 0.57078(18) 0.0398(8) Uani 1 1 d . . .
H24A H 0.3682 0.8804 0.5912 0.048 Uiso 1 1 calc R . .
C25 C 0.33609(17) 0.7890(2) 0.49287(16) 0.0321(7) Uani 1 1 d . . .
H25A H 0.3332 0.8564 0.4600 0.038 Uiso 1 1 calc R . .
C26 C 0.38715(15) 0.6236(2) 0.32565(16) 0.0254(6) Uani 1 1 d . . .
C27 C 0.38916(18) 0.5455(3) 0.26455(17) 0.0336(7) Uani 1 1 d . . .
H27A H 0.3442 0.5039 0.2440 0.040 Uiso 1 1 calc R . .
C28 C 0.4563(2) 0.5285(3) 0.2338(2) 0.0481(9) Uani 1 1 d . . .
H28A H 0.4575 0.4752 0.1923 0.058 Uiso 1 1 calc R . .
C29 C 0.5215(2) 0.5888(4) 0.2636(2) 0.0529(10) Uani 1 1 d . . .
H29A H 0.5674 0.5775 0.2420 0.064 Uiso 1 1 calc R . .
C30 C 0.52083(18) 0.6654(3) 0.3243(2) 0.0490(9) Uani 1 1 d . . .
H30A H 0.5662 0.7064 0.3445 0.059 Uiso 1 1 calc R . .
C31 C 0.45368(16) 0.6828(3) 0.35602(19) 0.0356(7) Uani 1 1 d . . .
H31A H 0.4533 0.7349 0.3983 0.043 Uiso 1 1 calc R . .
C32 C 0.2398(2) 0.3979(3) 0.07622(19) 0.0426(8) Uani 1 1 d . . .
O3 O 0.26044(19) 0.2287(2) 0.17178(14) 0.0704(9) Uani 1 1 d . . .
O4 O 0.14500(14) 0.2279(2) 0.08337(17) 0.0640(8) Uani 1 1 d . . .
O5 O 0.26287(13) 0.18412(18) 0.03785(14) 0.0440(6) Uani 1 1 d . . .
S1 S 0.22588(4) 0.24131(6) 0.09524(4) 0.02897(15) Uani 1 1 d . . .
F1 F 0.2113(2) 0.4290(2) 0.00756(13) 0.1002(11) Uani 1 1 d . . .
F2 F 0.31461(16) 0.4212(2) 0.08367(18) 0.0899(9) Uani 1 1 d . . .
F3 F 0.21050(13) 0.46906(16) 0.12534(12) 0.0544(5) Uani 1 1 d . . .
C33 C 0.39564(19) 0.2527(3) 0.4411(2) 0.0414(8) Uani 1 1 d . . .
H33 H 0.3609 0.2674 0.4803 0.050 Uiso 1 1 calc R . .
Cl1 Cl 0.46345(5) 0.36690(8) 0.44646(6) 0.0511(2) Uani 1 1 d . . .
Cl2 Cl 0.44060(6) 0.11265(8) 0.45928(7) 0.0638(3) Uani 1 1 d . . .
Cl3 Cl 0.34103(6) 0.25287(9) 0.35058(7) 0.0679(3) 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'
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
_geom_angle_publ_flag
N2 Au1 P1 178.25(6) . . ?
C20 P1 C26 106.98(12) . . ?
C20 P1 C14 107.00(12) . . ?
C26 P1 C14 106.34(12) . . ?
C20 P1 Au1 111.35(9) . . ?
C26 P1 Au1 112.40(9) . . ?
C14 P1 Au1 112.40(9) . . ?
C9 N1 C1 123.7(2) . . ?
C9 N1 C2 124.8(2) . . ?
C1 N1 C2 111.3(2) . . ?
C11 N2 C10 119.6(2) . . ?
C11 N2 Au1 120.31(18) . . ?
C10 N2 Au1 119.89(17) . . ?
O1 C1 N1 124.9(2) . . ?
O1 C1 C3 129.7(2) . . ?
N1 C1 C3 105.4(2) . . ?
O2 C2 N1 125.4(2) . . ?
O2 C2 C8 129.3(2) . . ?
N1 C2 C8 105.3(2) . . ?
C4 C3 C8 121.8(3) . . ?
C4 C3 C1 129.2(3) . . ?
C8 C3 C1 109.0(2) . . ?
C3 C4 C5 116.7(3) . . ?
C3 C4 H4A 121.6 . . ?
C5 C4 H4A 121.6 . . ?
C6 C5 C4 121.3(3) . . ?
C6 C5 H5A 119.4 . . ?
C4 C5 H5A 119.4 . . ?
C5 C6 C7 121.6(3) . . ?
C5 C6 H6A 119.2 . . ?
C7 C6 H6A 119.2 . . ?
C8 C7 C6 116.6(3) . . ?
C8 C7 H7A 121.7 . . ?
C6 C7 H7A 121.7 . . ?
C7 C8 C3 121.9(3) . . ?
C7 C8 C2 129.3(3) . . ?
C3 C8 C2 108.8(2) . . ?
C10 C9 C13 119.2(2) . . ?
C10 C9 N1 119.8(2) . . ?
C13 C9 N1 121.0(2) . . ?
N2 C10 C9 121.1(2) . . ?
N2 C10 H10A 119.4 . . ?
C9 C10 H10A 119.4 . . ?
N2 C11 C12 121.6(2) . . ?
N2 C11 H11A 119.2 . . ?
C12 C11 H11A 119.2 . . ?
C13 C12 C11 119.6(3) . . ?
C13 C12 H12A 120.2 . . ?
C11 C12 H12A 120.2 . . ?
C12 C13 C9 118.8(2) . . ?
C12 C13 H13A 120.6 . . ?
C9 C13 H13A 120.6 . . ?
C19 C14 C15 119.1(2) . . ?
C19 C14 P1 122.5(2) . . ?
C15 C14 P1 118.36(19) . . ?
C16 C15 C14 120.2(3) . . ?
C16 C15 H15A 119.9 . . ?
C14 C15 H15A 119.9 . . ?
C17 C16 C15 120.0(3) . . ?
C17 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C16 C17 C18 120.3(2) . . ?
C16 C17 H17A 119.8 . . ?
C18 C17 H17A 119.8 . . ?
C17 C18 C19 119.9(3) . . ?
C17 C18 H18A 120.0 . . ?
C19 C18 H18A 120.0 . . ?
C14 C19 C18 120.3(3) . . ?
C14 C19 H19A 119.8 . . ?
C18 C19 H19A 119.8 . . ?
C21 C20 C25 119.4(2) . . ?
C21 C20 P1 117.5(2) . . ?
C25 C20 P1 123.1(2) . . ?
C22 C21 C20 120.4(3) . . ?
C22 C21 H21A 119.8 . . ?
C20 C21 H21A 119.8 . . ?
C23 C22 C21 119.6(3) . . ?
C23 C22 H22A 120.2 . . ?
C21 C22 H22A 120.2 . . ?
C22 C23 C24 120.4(3) . . ?
C22 C23 H23A 119.8 . . ?
C24 C23 H23A 119.8 . . ?
C23 C24 C25 120.5(3) . . ?
C23 C24 H24A 119.8 . . ?
C25 C24 H24A 119.8 . . ?
C24 C25 C20 119.6(3) . . ?
C24 C25 H25A 120.2 . . ?
C20 C25 H25A 120.2 . . ?
C31 C26 C27 119.3(3) . . ?
C31 C26 P1 121.9(2) . . ?
C27 C26 P1 118.8(2) . . ?
C28 C27 C26 120.3(3) . . ?
C28 C27 H27A 119.9 . . ?
C26 C27 H27A 119.9 . . ?
C29 C28 C27 119.9(3) . . ?
C29 C28 H28A 120.0 . . ?
C27 C28 H28A 120.0 . . ?
C28 C29 C30 120.7(3) . . ?
C28 C29 H29A 119.7 . . ?
C30 C29 H29A 119.7 . . ?
C29 C30 C31 120.0(3) . . ?
C29 C30 H30A 120.0 . . ?
C31 C30 H30A 120.0 . . ?
C26 C31 C30 119.8(3) . . ?
C26 C31 H31A 120.1 . . ?
C30 C31 H31A 120.1 . . ?
F1 C32 F3 108.3(3) . . ?
F1 C32 F2 107.0(3) . . ?
F3 C32 F2 106.5(3) . . ?
F1 C32 S1 112.9(2) . . ?
F3 C32 S1 112.6(2) . . ?
F2 C32 S1 109.2(2) . . ?
O3 S1 O4 115.13(19) . . ?
O3 S1 O5 117.08(17) . . ?
O4 S1 O5 113.15(15) . . ?
O3 S1 C32 102.90(16) . . ?
O4 S1 C32 103.53(18) . . ?
O5 S1 C32 102.47(14) . . ?
Cl1 C33 Cl3 109.70(19) . . ?
Cl1 C33 Cl2 110.68(18) . . ?
Cl3 C33 Cl2 110.15(18) . . ?
Cl1 C33 H33 108.8 . . ?
Cl3 C33 H33 108.8 . . ?
Cl2 C33 H33 108.8 . . ?
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
Au1 N2 2.073(2) . ?
Au1 P1 2.2394(7) . ?
P1 C20 1.806(3) . ?
P1 C26 1.808(3) . ?
P1 C14 1.813(3) . ?
N1 C9 1.417(3) . ?
N1 C1 1.418(3) . ?
N1 C2 1.418(3) . ?
N2 C11 1.342(3) . ?
N2 C10 1.347(3) . ?
O1 C1 1.203(3) . ?
O2 C2 1.203(3) . ?
C1 C3 1.481(4) . ?
C2 C8 1.486(4) . ?
C3 C4 1.381(4) . ?
C3 C8 1.383(4) . ?
C4 C5 1.391(4) . ?
C4 H4A 0.9500 . ?
C5 C6 1.388(5) . ?
C5 H5A 0.9500 . ?
C6 C7 1.392(4) . ?
C6 H6A 0.9500 . ?
C7 C8 1.377(4) . ?
C7 H7A 0.9500 . ?
C9 C10 1.389(3) . ?
C9 C13 1.391(4) . ?
C10 H10A 0.9500 . ?
C11 C12 1.379(4) . ?
C11 H11A 0.9500 . ?
C12 C13 1.377(4) . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
C14 C19 1.385(4) . ?
C14 C15 1.394(4) . ?
C15 C16 1.387(4) . ?
C15 H15A 0.9500 . ?
C16 C17 1.376(4) . ?
C16 H16A 0.9500 . ?
C17 C18 1.378(4) . ?
C17 H17A 0.9500 . ?
C18 C19 1.390(4) . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9500 . ?
C20 C21 1.392(4) . ?
C20 C25 1.393(4) . ?
C21 C22 1.389(4) . ?
C21 H21A 0.9500 . ?
C22 C23 1.379(4) . ?
C22 H22A 0.9500 . ?
C23 C24 1.380(4) . ?
C23 H23A 0.9500 . ?
C24 C25 1.386(4) . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
C26 C31 1.393(4) . ?
C26 C27 1.395(4) . ?
C27 C28 1.383(4) . ?
C27 H27A 0.9500 . ?
C28 C29 1.376(5) . ?
C28 H28A 0.9500 . ?
C29 C30 1.377(5) . ?
C29 H29A 0.9500 . ?
C30 C31 1.393(4) . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
C32 F1 1.298(4) . ?
C32 F3 1.335(4) . ?
C32 F2 1.335(4) . ?
C32 S1 1.811(3) . ?
O3 S1 1.415(2) . ?
O4 S1 1.423(2) . ?
O5 S1 1.432(2) . ?
C33 Cl1 1.747(3) . ?
C33 Cl3 1.754(4) . ?
C33 Cl2 1.770(3) . ?
C33 H33 1.0000 . ?
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
N2 Au1 P1 C20 63(2) . . . . ?
N2 Au1 P1 C26 -177(100) . . . . ?
N2 Au1 P1 C14 -57(2) . . . . ?
P1 Au1 N2 C11 -73(2) . . . . ?
P1 Au1 N2 C10 102(2) . . . . ?
C9 N1 C1 O1 0.0(4) . . . . ?
C2 N1 C1 O1 176.1(3) . . . . ?
C9 N1 C1 C3 178.7(2) . . . . ?
C2 N1 C1 C3 -5.1(3) . . . . ?
C9 N1 C2 O2 -0.4(4) . . . . ?
C1 N1 C2 O2 -176.5(3) . . . . ?
C9 N1 C2 C8 -178.5(2) . . . . ?
C1 N1 C2 C8 5.4(3) . . . . ?
O1 C1 C3 C4 3.8(5) . . . . ?
N1 C1 C3 C4 -174.9(3) . . . . ?
O1 C1 C3 C8 -178.6(3) . . . . ?
N1 C1 C3 C8 2.7(3) . . . . ?
C8 C3 C4 C5 -0.9(4) . . . . ?
C1 C3 C4 C5 176.5(3) . . . . ?
C3 C4 C5 C6 0.7(5) . . . . ?
C4 C5 C6 C7 0.1(6) . . . . ?
C5 C6 C7 C8 -0.7(5) . . . . ?
C6 C7 C8 C3 0.5(5) . . . . ?
C6 C7 C8 C2 -177.1(3) . . . . ?
C4 C3 C8 C7 0.3(5) . . . . ?
C1 C3 C8 C7 -177.5(3) . . . . ?
C4 C3 C8 C2 178.3(3) . . . . ?
C1 C3 C8 C2 0.5(3) . . . . ?
O2 C2 C8 C7 -3.7(5) . . . . ?
N1 C2 C8 C7 174.3(3) . . . . ?
O2 C2 C8 C3 178.5(3) . . . . ?
N1 C2 C8 C3 -3.5(3) . . . . ?
C1 N1 C9 C10 141.7(3) . . . . ?
C2 N1 C9 C10 -33.9(4) . . . . ?
C1 N1 C9 C13 -37.8(4) . . . . ?
C2 N1 C9 C13 146.5(3) . . . . ?
C11 N2 C10 C9 2.3(4) . . . . ?
Au1 N2 C10 C9 -172.88(18) . . . . ?
C13 C9 C10 N2 -1.3(4) . . . . ?
N1 C9 C10 N2 179.2(2) . . . . ?
C10 N2 C11 C12 -1.4(4) . . . . ?
Au1 N2 C11 C12 173.7(2) . . . . ?
N2 C11 C12 C13 -0.5(4) . . . . ?
C11 C12 C13 C9 1.5(4) . . . . ?
C10 C9 C13 C12 -0.7(4) . . . . ?
N1 C9 C13 C12 178.9(2) . . . . ?
C20 P1 C14 C19 80.0(3) . . . . ?
C26 P1 C14 C19 -34.0(3) . . . . ?
Au1 P1 C14 C19 -157.4(2) . . . . ?
C20 P1 C14 C15 -98.2(2) . . . . ?
C26 P1 C14 C15 147.8(2) . . . . ?
Au1 P1 C14 C15 24.4(2) . . . . ?
C19 C14 C15 C16 -0.5(4) . . . . ?
P1 C14 C15 C16 177.8(2) . . . . ?
C14 C15 C16 C17 0.3(5) . . . . ?
C15 C16 C17 C18 0.5(5) . . . . ?
C16 C17 C18 C19 -1.1(4) . . . . ?
C15 C14 C19 C18 -0.2(4) . . . . ?
P1 C14 C19 C18 -178.4(2) . . . . ?
C17 C18 C19 C14 1.0(4) . . . . ?
C26 P1 C20 C21 -91.2(2) . . . . ?
C14 P1 C20 C21 155.2(2) . . . . ?
Au1 P1 C20 C21 32.0(2) . . . . ?
C26 P1 C20 C25 87.3(3) . . . . ?
C14 P1 C20 C25 -26.3(3) . . . . ?
Au1 P1 C20 C25 -149.5(2) . . . . ?
C25 C20 C21 C22 -0.7(4) . . . . ?
P1 C20 C21 C22 177.9(2) . . . . ?
C20 C21 C22 C23 -0.8(5) . . . . ?
C21 C22 C23 C24 1.4(5) . . . . ?
C22 C23 C24 C25 -0.5(5) . . . . ?
C23 C24 C25 C20 -1.0(5) . . . . ?
C21 C20 C25 C24 1.6(4) . . . . ?
P1 C20 C25 C24 -177.0(2) . . . . ?
C20 P1 C26 C31 -32.8(3) . . . . ?
C14 P1 C26 C31 81.3(2) . . . . ?
Au1 P1 C26 C31 -155.3(2) . . . . ?
C20 P1 C26 C27 148.3(2) . . . . ?
C14 P1 C26 C27 -97.6(2) . . . . ?
Au1 P1 C26 C27 25.8(2) . . . . ?
C31 C26 C27 C28 -0.9(4) . . . . ?
P1 C26 C27 C28 178.1(2) . . . . ?
C26 C27 C28 C29 -0.1(5) . . . . ?
C27 C28 C29 C30 0.7(5) . . . . ?
C28 C29 C30 C31 -0.3(5) . . . . ?
C27 C26 C31 C30 1.3(4) . . . . ?
P1 C26 C31 C30 -177.6(2) . . . . ?
C29 C30 C31 C26 -0.7(5) . . . . ?
F1 C32 S1 O3 -179.7(3) . . . . ?
F3 C32 S1 O3 -56.7(3) . . . . ?
F2 C32 S1 O3 61.4(3) . . . . ?
F1 C32 S1 O4 -59.5(3) . . . . ?
F3 C32 S1 O4 63.5(3) . . . . ?
F2 C32 S1 O4 -178.4(2) . . . . ?
F1 C32 S1 O5 58.4(3) . . . . ?
F3 C32 S1 O5 -178.6(3) . . . . ?
F2 C32 S1 O5 -60.5(3) . . . . ?
