#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179855 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/51/7015181.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_7015181
loop_
_publ_author_name
'Coetzee, Jacorien'
'Cronje, Stephanie'
'Dobrzańska, Liliana'
'Raubenheimer, Helgard G.'
'Jooné, Gisela'
'Nell, Margo J.'
'Hoppe, Heinrich C.'
_publ_section_title
;
 Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis,
 characterisation and screening for antitumour and antimalarial
 activity.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1471
_journal_page_last               1483
_journal_paper_doi               10.1039/c0dt01312a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         '3(C23 H23 Au N2 P S), 3(C F3 O3 S), H2 O'
_chemical_formula_sum            'C72 H71 Au3 F9 N6 O10 P3 S6'
_chemical_formula_weight         2227.52
_chemical_name_common            work
_chemical_name_systematic
;
?
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :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                   35.318(5)
_cell_length_b                   35.318(5)
_cell_length_c                   11.178(2)
_cell_measurement_reflns_used    4792
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.276
_cell_measurement_theta_min      2.256
_cell_volume                     12075(3)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'X-Seed (Barbour, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       ω
_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  0.0550
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            22365
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.76
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    5.749
_exptl_absorpt_correction_T_max  0.7620
_exptl_absorpt_correction_T_min  0.4999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.838
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6504
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.690
_refine_diff_density_min         -1.095
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         5126
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0398P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0768
_reflns_number_gt                4067
_reflns_number_total             5126
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01312a.txt
_cod_data_source_block           6b
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7015181
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'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'
'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'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-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'
'-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'
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 0.550508(7) 0.600422(7) 0.566490(18) 0.02250(8) Uani 1 1 d . . .
S1 S 0.51168(6) 0.61499(6) 0.30350(14) 0.0456(4) Uani 1 1 d . . .
P1 P 0.58720(4) 0.56473(4) 0.58962(12) 0.0205(3) Uani 1 1 d . . .
F1 F 0.4288(4) 0.6788(8) 0.9574(17) 0.061(5) Uani 0.425(7) 1 d PD A 1
F1A F 0.4031(2) 0.6392(2) 0.7563(6) 0.0450(19) Uani 0.575(7) 1 d PD A 2
O1 O 0.4525(9) 0.6079(9) 0.934(2) 0.055(7) Uani 0.425(7) 1 d PD A 1
O1A O 0.4379(4) 0.6026(6) 0.9384(19) 0.039(5) Uani 0.575(7) 1 d PD A 2
N1 N 0.47666(15) 0.65320(14) 0.4102(4) 0.0268(11) Uani 1 1 d . . .
C1 C 0.4644(4) 0.6855(5) 0.8989(10) 0.040(4) Uani 0.425(7) 1 d PD A 1
C1A C 0.4329(3) 0.6645(3) 0.8369(8) 0.028(2) Uani 0.575(7) 1 d PD A 2
S2 S 0.4602(2) 0.6366(2) 0.8357(6) 0.0363(16) Uani 0.425(7) 1 d PD A 1
S2A S 0.46846(15) 0.64255(16) 0.8811(4) 0.0268(10) Uani 0.575(7) 1 d PD A 2
F2 F 0.4966(3) 0.7048(4) 0.9766(9) 0.064(3) Uani 0.425(7) 1 d PD A 1
F2A F 0.4123(4) 0.6668(6) 0.9323(11) 0.051(3) Uani 0.575(7) 1 d PD A 2
O2 O 0.4238(3) 0.6223(4) 0.7559(8) 0.048(3) Uani 0.425(7) 1 d PD A 1
O2A O 0.4991(2) 0.6749(2) 0.9601(6) 0.041(2) Uani 0.575(7) 1 d PD A 2
N2 N 0.51757(14) 0.63314(14) 0.5366(4) 0.0240(10) Uani 1 1 d . . .
H8 H 0.5136 0.6465 0.5976 0.029 Uiso 1 1 calc R . .
F3 F 0.4695(16) 0.7130(13) 0.811(3) 0.092(13) Uani 0.425(7) 1 d PD A 1
F3A F 0.4575(11) 0.7045(9) 0.794(3) 0.069(6) Uani 0.575(7) 1 d P A 2
O3 O 0.5009(4) 0.6533(8) 0.7735(19) 0.044(6) Uani 0.425(7) 1 d PD A 1
O3A O 0.4862(5) 0.6383(6) 0.7700(12) 0.040(3) Uani 0.575(7) 1 d PD A 2
O4 O 0.3333 0.6667 0.7970(6) 0.059(2) Uani 1 3 d SD . .
H4A H 0.355(3) 0.661(4) 0.756(2) 0.070 Uiso 0.333 1 d PD . .
H4B H 0.307(2) 0.650(6) 0.758(14) 0.070 Uiso 0.333 1 d PD . .
C111 C 0.58307(15) 0.53304(16) 0.4571(4) 0.0193(11) Uani 1 1 d . . .
C112 C 0.59362(17) 0.55466(18) 0.3469(5) 0.0258(12) Uani 1 1 d . . .
H112 H 0.6018 0.5847 0.3427 0.031 Uiso 1 1 calc R . .
C113 C 0.59211(17) 0.53192(19) 0.2430(5) 0.0275(13) Uani 1 1 d . . .
H113 H 0.6001 0.5466 0.1682 0.033 Uiso 1 1 calc R . .
C114 C 0.57902(17) 0.48829(19) 0.2493(5) 0.0278(13) Uani 1 1 d . . .
H114 H 0.5775 0.4727 0.1785 0.033 Uiso 1 1 calc R . .
C115 C 0.56805(18) 0.46696(19) 0.3576(5) 0.0311(13) Uani 1 1 d . . .
H115 H 0.5591 0.4367 0.3609 0.037 Uiso 1 1 calc R . .
C116 C 0.56993(17) 0.48905(17) 0.4622(5) 0.0254(12) Uani 1 1 d . . .
H116 H 0.5623 0.4741 0.5366 0.030 Uiso 1 1 calc R . .
C121 C 0.56953(16) 0.52747(16) 0.7153(4) 0.0191(11) Uani 1 1 d . . .
C122 C 0.52664(16) 0.50968(16) 0.7558(4) 0.0197(11) Uani 1 1 d . . .
H122 H 0.5071 0.5166 0.7162 0.024 Uiso 1 1 calc R . .
C123 C 0.51231(17) 0.48171(17) 0.8543(5) 0.0232(12) Uani 1 1 d . . .
H123 H 0.4831 0.4698 0.8818 0.028 Uiso 1 1 calc R . .
C124 C 0.54047(18) 0.47135(17) 0.9117(5) 0.0274(13) Uani 1 1 d . . .
H124 H 0.5308 0.4525 0.9793 0.033 Uiso 1 1 calc R . .
C125 C 0.58294(18) 0.48845(18) 0.8707(5) 0.0284(13) Uani 1 1 d . . .
H125 H 0.6022 0.4809 0.9097 0.034 Uiso 1 1 calc R . .
C126 C 0.59756(18) 0.51634(18) 0.7736(5) 0.0264(13) Uani 1 1 d . . .
H126 H 0.6268 0.5280 0.7463 0.032 Uiso 1 1 calc R . .
C131 C 0.64538(16) 0.60195(17) 0.6075(4) 0.0219(12) Uani 1 1 d . . .
C132 C 0.65952(18) 0.64155(18) 0.6667(5) 0.0284(13) Uani 1 1 d . . .
H132 H 0.6387 0.6484 0.6986 0.034 Uiso 1 1 calc R . .
C133 C 0.70333(18) 0.67071(19) 0.6790(5) 0.0320(14) Uani 1 1 d . . .
H133 H 0.7128 0.6975 0.7201 0.038 Uiso 1 1 calc R . .
C134 C 0.73394(17) 0.66105(19) 0.6312(5) 0.0306(14) Uani 1 1 d . . .
H134 H 0.7643 0.6814 0.6386 0.037 Uiso 1 1 calc R . .
C135 C 0.71991(18) 0.62160(19) 0.5727(5) 0.0285(13) Uani 1 1 d . . .
H135 H 0.7408 0.6150 0.5403 0.034 Uiso 1 1 calc R . .
C136 C 0.67580(17) 0.59174(18) 0.5611(5) 0.0260(12) Uani 1 1 d . . .
H136 H 0.6664 0.5646 0.5220 0.031 Uiso 1 1 calc R . .
C211 C 0.50216(18) 0.63556(16) 0.4336(5) 0.0258(13) Uani 1 1 d . . .
C212 C 0.4807(2) 0.6314(2) 0.2214(5) 0.0466(18) Uani 1 1 d . . .
H212 H 0.4756 0.6268 0.1378 0.056 Uiso 1 1 calc R . .
C213 C 0.4650(2) 0.65106(18) 0.2892(5) 0.0361(15) Uani 1 1 d . . .
C214 C 0.4378(2) 0.6703(2) 0.2495(6) 0.0506(19) Uani 1 1 d . . .
H21D H 0.4316 0.6649 0.1638 0.076 Uiso 1 1 calc R . .
H21E H 0.4538 0.7019 0.2644 0.076 Uiso 1 1 calc R . .
H21F H 0.4103 0.6568 0.2942 0.076 Uiso 1 1 calc R . .
C215 C 0.46291(19) 0.6717(2) 0.5053(5) 0.0334(14) Uani 1 1 d . . .
H21A H 0.4494 0.6503 0.5698 0.050 Uiso 1 1 calc R . .
H21B H 0.4417 0.6794 0.4737 0.050 Uiso 1 1 calc R . .
H21C H 0.4884 0.6981 0.5366 0.050 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'
Au Au -2.0133 8.8022 '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 177.19(13) . . ?
C211 S1 C212 91.0(3) . . ?
C121 P1 C131 107.2(2) . . ?
C121 P1 C111 107.0(2) . . ?
C131 P1 C111 104.4(2) . . ?
C121 P1 Au1 114.50(16) . . ?
C131 P1 Au1 111.78(18) . . ?
C111 P1 Au1 111.30(17) . . ?
C211 N1 C213 114.0(5) . . ?
C211 N1 C215 121.0(5) . . ?
C213 N1 C215 125.0(5) . . ?
F2 C1 F1 105.3(12) . . ?
F2 C1 F3 110(2) . . ?
F1 C1 F3 106(3) . . ?
F2 C1 S2 112.9(10) . . ?
F1 C1 S2 113.8(14) . . ?
F3 C1 S2 109(2) . . ?
F2A C1A F3A 109(2) . . ?
F2A C1A F1A 108.2(9) . . ?
F3A C1A F1A 110.1(14) . . ?
F2A C1A S2A 108.9(10) . . ?
F3A C1A S2A 109.0(15) . . ?
F1A C1A S2A 112.2(7) . . ?
O1 S2 O3 117.6(18) . . ?
O1 S2 O2 114.2(13) . . ?
O3 S2 O2 112.5(12) . . ?
O1 S2 C1 105.8(16) . . ?
O3 S2 C1 102.3(11) . . ?
O2 S2 C1 102.1(7) . . ?
O2A S2A O1A 114.2(10) . . ?
O2A S2A O3A 115.2(8) . . ?
O1A S2A O3A 116.1(15) . . ?
O2A S2A C1A 103.6(6) . . ?
O1A S2A C1A 101.4(9) . . ?
O3A S2A C1A 103.7(11) . . ?
C211 N2 Au1 124.2(4) . . ?
C211 N2 H8 117.9 . . ?
Au1 N2 H8 117.9 . . ?
H4A O4 H4B 107(6) . . ?
C116 C111 C112 119.8(5) . . ?
C116 C111 P1 122.5(4) . . ?
C112 C111 P1 117.7(4) . . ?
C113 C112 C111 119.7(5) . . ?
C113 C112 H112 120.2 . . ?
C111 C112 H112 120.2 . . ?
C114 C113 C112 119.8(5) . . ?
C114 C113 H113 120.1 . . ?
C112 C113 H113 120.1 . . ?
C113 C114 C115 120.3(5) . . ?
C113 C114 H114 119.8 . . ?
C115 C114 H114 119.8 . . ?
C114 C115 C116 120.8(5) . . ?
C114 C115 H115 119.6 . . ?
C116 C115 H115 119.6 . . ?
C111 C116 C115 119.5(5) . . ?
C111 C116 H116 120.3 . . ?
C115 C116 H116 120.3 . . ?
C122 C121 C126 119.0(5) . . ?
C122 C121 P1 118.8(4) . . ?
C126 C121 P1 122.1(4) . . ?
C121 C122 C123 120.2(5) . . ?
C121 C122 H122 119.9 . . ?
C123 C122 H122 119.9 . . ?
C124 C123 C122 120.1(5) . . ?
C124 C123 H123 120.0 . . ?
C122 C123 H123 120.0 . . ?
C123 C124 C125 119.9(5) . . ?
C123 C124 H124 120.1 . . ?
C125 C124 H124 120.1 . . ?
C126 C125 C124 120.6(5) . . ?
C126 C125 H125 119.7 . . ?
C124 C125 H125 119.7 . . ?
C125 C126 C121 120.2(5) . . ?
C125 C126 H126 119.9 . . ?
C121 C126 H126 119.9 . . ?
C136 C131 C132 120.0(5) . . ?
C136 C131 P1 120.8(4) . . ?
C132 C131 P1 119.1(4) . . ?
C133 C132 C131 120.3(5) . . ?
C133 C132 H132 119.8 . . ?
C131 C132 H132 119.8 . . ?
C132 C133 C134 120.0(5) . . ?
C132 C133 H133 120.0 . . ?
C134 C133 H133 120.0 . . ?
C135 C134 C133 119.7(5) . . ?
C135 C134 H134 120.1 . . ?
C133 C134 H134 120.1 . . ?
C136 C135 C134 120.7(5) . . ?
C136 C135 H135 119.7 . . ?
C134 C135 H135 119.7 . . ?
C135 C136 C131 119.2(5) . . ?
C135 C136 H136 120.4 . . ?
C131 C136 H136 120.4 . . ?
N2 C211 N1 127.0(5) . . ?
N2 C211 S1 122.9(4) . . ?
N1 C211 S1 110.1(4) . . ?
C213 C212 S1 111.8(5) . . ?
C213 C212 H212 124.1 . . ?
S1 C212 H212 124.1 . . ?
C212 C213 N1 113.0(5) . . ?
C212 C213 C214 127.0(6) . . ?
N1 C213 C214 120.0(6) . . ?
C213 C214 H21D 109.5 . . ?
C213 C214 H21E 109.5 . . ?
H21D C214 H21E 109.5 . . ?
C213 C214 H21F 109.5 . . ?
H21D C214 H21F 109.5 . . ?
H21E C214 H21F 109.5 . . ?
N1 C215 H21A 109.5 . . ?
N1 C215 H21B 109.5 . . ?
H21A C215 H21B 109.5 . . ?
N1 C215 H21C 109.5 . . ?
H21A C215 H21C 109.5 . . ?
H21B C215 H21C 109.5 . . ?
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 2.036(4) . ?
Au1 P1 2.2291(14) . ?
S1 C211 1.732(6) . ?
S1 C212 1.736(7) . ?
P1 C121 1.809(5) . ?
P1 C131 1.813(5) . ?
P1 C111 1.817(5) . ?
F1 C1 1.327(5) . ?
F1A C1A 1.334(11) . ?
O1 S2 1.429(5) . ?
O1A S2A 1.429(5) . ?
N1 C211 1.353(7) . ?
N1 C213 1.405(7) . ?
N1 C215 1.454(7) . ?
C1 F2 1.318(5) . ?
C1 F3 1.330(5) . ?
C1 S2 1.804(16) . ?
C1A F2A 1.316(5) . ?
C1A F3A 1.33(2) . ?
C1A S2A 1.842(11) . ?
S2 O3 1.431(5) . ?
S2 O2 1.434(5) . ?
S2A O2A 1.421(5) . ?
S2A O3A 1.432(5) . ?
N2 C211 1.294(7) . ?
N2 H8 0.8800 . ?
O4 H4A 0.990(2) . ?
O4 H4B 0.92(4) . ?
C111 C116 1.383(7) . ?
C111 C112 1.398(7) . ?
C112 C113 1.398(7) . ?
C112 H112 0.9500 . ?
C113 C114 1.371(8) . ?
C113 H113 0.9500 . ?
C114 C115 1.375(8) . ?
C114 H114 0.9500 . ?
C115 C116 1.388(7) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C121 C122 1.394(7) . ?
C121 C126 1.396(7) . ?
C122 C123 1.394(7) . ?
C122 H122 0.9500 . ?
C123 C124 1.378(7) . ?
C123 H123 0.9500 . ?
C124 C125 1.385(8) . ?
C124 H124 0.9500 . ?
C125 C126 1.381(7) . ?
C125 H125 0.9500 . ?
C126 H126 0.9500 . ?
C131 C136 1.393(7) . ?
C131 C132 1.395(7) . ?
C132 C133 1.371(7) . ?
C132 H132 0.9500 . ?
C133 C134 1.393(8) . ?
C133 H133 0.9500 . ?
C134 C135 1.387(8) . ?
C134 H134 0.9500 . ?
C135 C136 1.383(7) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?
C212 C213 1.323(9) . ?
C212 H212 0.9500 . ?
C213 C214 1.494(8) . ?
C214 H21D 0.9800 . ?
C214 H21E 0.9800 . ?
C214 H21F 0.9800 . ?
C215 H21A 0.9800 . ?
C215 H21B 0.9800 . ?
C215 H21C 0.9800 . ?
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
F2 C1 S2 O1 60.3(16) . . . . ?
F1 C1 S2 O1 -59.6(18) . . . . ?
F3 C1 S2 O1 -177(3) . . . . ?
F2 C1 S2 O3 -63.3(15) . . . . ?
F1 C1 S2 O3 176.8(18) . . . . ?
F3 C1 S2 O3 59(3) . . . . ?
F2 C1 S2 O2 -179.9(10) . . . . ?
F1 C1 S2 O2 60.2(15) . . . . ?
F3 C1 S2 O2 -57(2) . . . . ?
F2A C1A S2A O2A -63.8(10) . . . . ?
F3A C1A S2A O2A 54.3(17) . . . . ?
F1A C1A S2A O2A 176.5(7) . . . . ?
F2A C1A S2A O1A 54.8(14) . . . . ?
F3A C1A S2A O1A 173(2) . . . . ?
F1A C1A S2A O1A -64.9(13) . . . . ?
F2A C1A S2A O3A 175.5(11) . . . . ?
F3A C1A S2A O3A -66.3(18) . . . . ?
F1A C1A S2A O3A 55.8(10) . . . . ?
C121 P1 C111 C116 -2.0(5) . . . . ?
C131 P1 C111 C116 111.4(4) . . . . ?
Au1 P1 C111 C116 -127.8(4) . . . . ?
C121 P1 C111 C112 177.8(4) . . . . ?
C131 P1 C111 C112 -68.8(4) . . . . ?
Au1 P1 C111 C112 52.0(4) . . . . ?
C116 C111 C112 C113 -2.0(7) . . . . ?
P1 C111 C112 C113 178.2(4) . . . . ?
C111 C112 C113 C114 2.0(8) . . . . ?
C112 C113 C114 C115 -1.1(8) . . . . ?
C113 C114 C115 C116 0.1(8) . . . . ?
C112 C111 C116 C115 1.0(8) . . . . ?
P1 C111 C116 C115 -179.2(4) . . . . ?
C114 C115 C116 C111 -0.1(8) . . . . ?
C131 P1 C121 C122 150.8(4) . . . . ?
C111 P1 C121 C122 -97.7(4) . . . . ?
Au1 P1 C121 C122 26.2(5) . . . . ?
C131 P1 C121 C126 -28.6(5) . . . . ?
C111 P1 C121 C126 83.0(5) . . . . ?
Au1 P1 C121 C126 -153.2(4) . . . . ?
C126 C121 C122 C123 1.0(7) . . . . ?
P1 C121 C122 C123 -178.4(4) . . . . ?
C121 C122 C123 C124 -0.3(8) . . . . ?
C122 C123 C124 C125 -0.6(8) . . . . ?
C123 C124 C125 C126 0.9(8) . . . . ?
C124 C125 C126 C121 -0.3(8) . . . . ?
C122 C121 C126 C125 -0.7(8) . . . . ?
P1 C121 C126 C125 178.7(4) . . . . ?
C121 P1 C131 C136 88.6(4) . . . . ?
C111 P1 C131 C136 -24.8(5) . . . . ?
Au1 P1 C131 C136 -145.2(4) . . . . ?
C121 P1 C131 C132 -92.6(5) . . . . ?
C111 P1 C131 C132 154.1(4) . . . . ?
Au1 P1 C131 C132 33.7(5) . . . . ?
C136 C131 C132 C133 0.4(8) . . . . ?
P1 C131 C132 C133 -178.5(4) . . . . ?
C131 C132 C133 C134 0.7(9) . . . . ?
C132 C133 C134 C135 -0.9(8) . . . . ?
C133 C134 C135 C136 0.2(8) . . . . ?
C134 C135 C136 C131 0.9(8) . . . . ?
C132 C131 C136 C135 -1.1(8) . . . . ?
P1 C131 C136 C135 177.7(4) . . . . ?
Au1 N2 C211 N1 173.4(4) . . . . ?
Au1 N2 C211 S1 -5.7(7) . . . . ?
C213 N1 C211 N2 180.0(5) . . . . ?
C215 N1 C211 N2 -0.9(8) . . . . ?
C213 N1 C211 S1 -0.8(6) . . . . ?
C215 N1 C211 S1 178.4(4) . . . . ?
C212 S1 C211 N2 179.5(5) . . . . ?
C212 S1 C211 N1 0.2(4) . . . . ?
C211 S1 C212 C213 0.4(5) . . . . ?
S1 C212 C213 N1 -0.9(7) . . . . ?
S1 C212 C213 C214 178.6(5) . . . . ?
C211 N1 C213 C212 1.1(7) . . . . ?
C215 N1 C213 C212 -178.0(5) . . . . ?
C211 N1 C213 C214 -178.4(5) . . . . ?
C215 N1 C213 C214 2.5(8) . . . . ?
