#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:46:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179262 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/82/4318210.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_4318210
loop_
_publ_author_name
'Hendrik Ehlich'
'Annette Schier'
'Hubert Schmidbaur'
_publ_section_title
;
 Aurophilicity-Based One-Dimensional Arrays of Gold(I) Phenylene-1,3- and
 -1,4-dithiolates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3721
_journal_page_last               3727
_journal_paper_doi               10.1021/ic020107i
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C50 H78 Au2 Cl4 P2 S2'
_chemical_formula_weight         1340.92
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 101.336(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7574(1)
_cell_length_b                   11.7033(1)
_cell_length_c                   23.7344(3)
_cell_measurement_reflns_used    79730
_cell_measurement_temperature    143(2)
_cell_volume                     2657.45(5)
_computing_cell_refinement       HKL2000
_computing_data_collection       XPRESS
_computing_data_reduction        HKL2000
_computing_molecular_graphics    SHELXTL-PLUS
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'NONIUS DIP2020'
_diffrn_measurement_method       phi-rotation
_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  0.037
_diffrn_reflns_av_sigmaI/netI    0.037
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            79730
_diffrn_reflns_theta_full        27.12
_diffrn_reflns_theta_max         27.12
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    5.887
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.909
_refine_diff_density_min         -1.360
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5732
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0302
_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)+(0.0250P)²+6.8714P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0724
_reflns_number_gt                5442
_reflns_number_total             5732
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020107i_3.cif
_cod_data_source_block           hend20
_cod_database_code               4318210
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 0.787008(14) 0.265713(14) 0.208595(6) 0.03699(6) Uani 1 1 d . . .
S1 S 0.98993(11) 0.21886(11) 0.17755(5) 0.0486(3) Uani 1 1 d . . .
P1 P 0.57792(9) 0.30370(8) 0.23374(4) 0.03151(19) Uani 1 1 d . . .
C1 C 0.9894(4) 0.3145(4) 0.11960(17) 0.0431(9) Uani 1 1 d . . .
C2 C 1.0615(6) 0.2859(6) 0.0766(2) 0.0732(19) Uani 1 1 d . . .
H2A H 1.1099 0.2151 0.0789 0.088 Uiso 1 1 calc R . .
C3 C 1.0647(6) 0.3570(6) 0.03090(18) 0.0716(18) Uani 1 1 d . . .
H3A H 1.1148 0.3333 0.0024 0.086 Uiso 1 1 calc R . .
C4 C 0.9983(4) 0.4615(4) 0.02466(17) 0.0418(9) Uani 1 1 d . . .
C5 C 0.9267(5) 0.4902(4) 0.0681(2) 0.0555(13) Uani 1 1 d . . .
H5A H 0.8777 0.5607 0.0656 0.067 Uiso 1 1 calc R . .
C6 C 0.9245(5) 0.4197(4) 0.1144(2) 0.0572(13) Uani 1 1 d . . .
H6A H 0.8770 0.4443 0.1435 0.069 Uiso 1 1 calc R . .
C11 C 0.4548(4) 0.1893(3) 0.20481(15) 0.0331(7) Uani 1 1 d . . .
H11A H 0.3598 0.2096 0.2116 0.040 Uiso 1 1 calc R . .
C12 C 0.5006(4) 0.0754(3) 0.23478(18) 0.0422(9) Uani 1 1 d . . .
H12A H 0.5984 0.0592 0.2317 0.051 Uiso 1 1 calc R . .
H12B H 0.4972 0.0818 0.2761 0.051 Uiso 1 1 calc R . .
C13 C 0.4075(5) -0.0230(4) 0.2084(2) 0.0537(11) Uani 1 1 d . . .
H13A H 0.4427 -0.0953 0.2277 0.064 Uiso 1 1 calc R . .
H13B H 0.3114 -0.0105 0.2149 0.064 Uiso 1 1 calc R . .
C14 C 0.4040(5) -0.0333(4) 0.1446(2) 0.0480(10) Uani 1 1 d . . .
H14A H 0.3407 -0.0963 0.1284 0.058 Uiso 1 1 calc R . .
H14B H 0.4988 -0.0513 0.1380 0.058 Uiso 1 1 calc R . .
C15 C 0.3536(5) 0.0778(4) 0.11480(19) 0.0479(10) Uani 1 1 d . . .
H15A H 0.2568 0.0934 0.1197 0.057 Uiso 1 1 calc R . .
H15B H 0.3527 0.0709 0.0732 0.057 Uiso 1 1 calc R . .
C16 C 0.4478(5) 0.1763(3) 0.13952(16) 0.0411(9) Uani 1 1 d . . .
H16A H 0.4120 0.2480 0.1199 0.049 Uiso 1 1 calc R . .
H16B H 0.5430 0.1629 0.1323 0.049 Uiso 1 1 calc R . .
C21 C 0.5887(4) 0.3056(3) 0.31230(16) 0.0355(8) Uani 1 1 d . . .
H21A H 0.6120 0.2259 0.3261 0.043 Uiso 1 1 calc R . .
C22 C 0.7105(4) 0.3816(4) 0.34181(18) 0.0454(10) Uani 1 1 d . . .
H22A H 0.7980 0.3570 0.3302 0.054 Uiso 1 1 calc R . .
H22B H 0.6921 0.4620 0.3296 0.054 Uiso 1 1 calc R . .
C23 C 0.7272(5) 0.3730(5) 0.40729(19) 0.0543(11) Uani 1 1 d . . .
H23A H 0.7533 0.2938 0.4196 0.065 Uiso 1 1 calc R . .
H23B H 0.8036 0.4243 0.4258 0.065 Uiso 1 1 calc R . .
C24 C 0.5932(5) 0.4056(4) 0.42674(18) 0.0503(11) Uani 1 1 d . . .
H24A H 0.5713 0.4868 0.4174 0.060 Uiso 1 1 calc R . .
H24B H 0.6060 0.3962 0.4689 0.060 Uiso 1 1 calc R . .
C25 C 0.4717(5) 0.3306(4) 0.39709(18) 0.0481(10) Uani 1 1 d . . .
H25A H 0.3844 0.3559 0.4086 0.058 Uiso 1 1 calc R . .
H25B H 0.4894 0.2503 0.4096 0.058 Uiso 1 1 calc R . .
C26 C 0.4537(4) 0.3373(4) 0.33150(17) 0.0400(8) Uani 1 1 d . . .
H26A H 0.3782 0.2846 0.3135 0.048 Uiso 1 1 calc R . .
H26B H 0.4260 0.4158 0.3185 0.048 Uiso 1 1 calc R . .
C31 C 0.5017(4) 0.4451(4) 0.20872(19) 0.0427(9) Uani 1 1 d . . .
H31A H 0.5191 0.4954 0.2435 0.051 Uiso 1 1 calc R . .
C32 C 0.3435(4) 0.4450(3) 0.18771(17) 0.0365(8) Uani 1 1 d . . .
H32A H 0.3193 0.3936 0.1541 0.044 Uiso 1 1 calc R . .
H32B H 0.2981 0.4148 0.2185 0.044 Uiso 1 1 calc R . .
C33 C 0.2880(5) 0.5636(4) 0.1711(2) 0.0585(13) Uani 1 1 d . . .
H33A H 0.1866 0.5588 0.1549 0.070 Uiso 1 1 calc R . .
H33B H 0.3005 0.6120 0.2060 0.070 Uiso 1 1 calc R . .
C34 C 0.3596(6) 0.6179(4) 0.1284(2) 0.0591(12) Uani 1 1 d . . .
H34A H 0.3247 0.6970 0.1211 0.071 Uiso 1 1 calc R . .
H34B H 0.3367 0.5752 0.0918 0.071 Uiso 1 1 calc R . .
C35 C 0.5198(5) 0.6204(4) 0.14925(19) 0.0515(11) Uani 1 1 d . . .
H35A H 0.5643 0.6503 0.1182 0.062 Uiso 1 1 calc R . .
H35B H 0.5438 0.6724 0.1827 0.062 Uiso 1 1 calc R . .
C36 C 0.5755(5) 0.5022(4) 0.1662(2) 0.0530(11) Uani 1 1 d . . .
H36A H 0.5652 0.4541 0.1313 0.064 Uiso 1 1 calc R . .
H36B H 0.6765 0.5076 0.1831 0.064 Uiso 1 1 calc R . .
C01 C 0.6702(7) 0.2648(5) 0.0291(2) 0.0661(15) Uani 1 1 d . . .
H01A H 0.7464 0.2968 0.0118 0.079 Uiso 1 1 calc R . .
H01B H 0.7047 0.2587 0.0711 0.079 Uiso 1 1 calc R . .
Cl1 Cl 0.6257(2) 0.13135(14) 0.00099(8) 0.0977(6) Uani 1 1 d . . .
Cl2 Cl 0.5258(2) 0.35588(15) 0.01524(7) 0.0969(6) 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'
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
P1 Au1 S1 175.70(4) . . ?
C1 S1 Au1 103.05(14) . . ?
C11 P1 C21 106.79(17) . . ?
C11 P1 C31 109.70(18) . . ?
C21 P1 C31 104.54(19) . . ?
C11 P1 Au1 108.23(12) . . ?
C21 P1 Au1 112.99(12) . . ?
C31 P1 Au1 114.30(14) . . ?
C6 C1 C2 116.0(4) . . ?
C6 C1 S1 124.4(3) . . ?
C2 C1 S1 119.6(4) . . ?
C3 C2 C1 121.9(5) . . ?
C3 C2 H2A 119.1 . . ?
C1 C2 H2A 119.1 . . ?
C2 C3 C4 122.6(4) . . ?
C2 C3 H3A 118.7 . . ?
C4 C3 H3A 118.7 . . ?
C3 C4 C5 115.3(4) . . ?
C3 C4 C4 122.8(4) . 3_765 ?
C5 C4 C4 121.9(5) . 3_765 ?
C6 C5 C4 122.3(5) . . ?
C6 C5 H5A 118.9 . . ?
C4 C5 H5A 118.9 . . ?
C5 C6 C1 121.8(4) . . ?
C5 C6 H6A 119.1 . . ?
C1 C6 H6A 119.1 . . ?
C12 C11 C16 109.3(3) . . ?
C12 C11 P1 110.5(3) . . ?
C16 C11 P1 110.1(3) . . ?
C12 C11 H11A 109.0 . . ?
C16 C11 H11A 109.0 . . ?
P1 C11 H11A 109.0 . . ?
C13 C12 C11 111.8(3) . . ?
C13 C12 H12A 109.3 . . ?
C11 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 107.9 . . ?
C14 C13 C12 111.4(4) . . ?
C14 C13 H13A 109.3 . . ?
C12 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
C12 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
C13 C14 C15 109.9(4) . . ?
C13 C14 H14A 109.7 . . ?
C15 C14 H14A 109.7 . . ?
C13 C14 H14B 109.7 . . ?
C15 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C14 C15 C16 110.8(3) . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 C11 111.5(4) . . ?
C15 C16 H16A 109.3 . . ?
C11 C16 H16A 109.3 . . ?
C15 C16 H16B 109.3 . . ?
C11 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C26 C21 C22 111.0(3) . . ?
C26 C21 P1 115.1(3) . . ?
C22 C21 P1 110.6(3) . . ?
C26 C21 H21A 106.5 . . ?
C22 C21 H21A 106.5 . . ?
P1 C21 H21A 106.5 . . ?
C23 C22 C21 110.0(4) . . ?
C23 C22 H22A 109.7 . . ?
C21 C22 H22A 109.7 . . ?
C23 C22 H22B 109.7 . . ?
C21 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
C24 C23 C22 111.4(4) . . ?
C24 C23 H23A 109.3 . . ?
C22 C23 H23A 109.3 . . ?
C24 C23 H23B 109.3 . . ?
C22 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C23 C24 C25 110.6(4) . . ?
C23 C24 H24A 109.5 . . ?
C25 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C25 C24 H24B 109.5 . . ?
H24A C24 H24B 108.1 . . ?
C24 C25 C26 111.2(4) . . ?
C24 C25 H25A 109.4 . . ?
C26 C25 H25A 109.4 . . ?
C24 C25 H25B 109.4 . . ?
C26 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
C21 C26 C25 111.0(3) . . ?
C21 C26 H26A 109.4 . . ?
C25 C26 H26A 109.4 . . ?
C21 C26 H26B 109.4 . . ?
C25 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C36 C31 C32 111.6(4) . . ?
C36 C31 P1 113.2(3) . . ?
C32 C31 P1 114.7(3) . . ?
C36 C31 H31A 105.5 . . ?
C32 C31 H31A 105.5 . . ?
P1 C31 H31A 105.5 . . ?
C33 C32 C31 111.8(3) . . ?
C33 C32 H32A 109.3 . . ?
C31 C32 H32A 109.3 . . ?
C33 C32 H32B 109.3 . . ?
C31 C32 H32B 109.3 . . ?
H32A C32 H32B 107.9 . . ?
C34 C33 C32 112.2(4) . . ?
C34 C33 H33A 109.2 . . ?
C32 C33 H33A 109.2 . . ?
C34 C33 H33B 109.2 . . ?
C32 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
C33 C34 C35 111.9(4) . . ?
C33 C34 H34A 109.2 . . ?
C35 C34 H34A 109.2 . . ?
C33 C34 H34B 109.2 . . ?
C35 C34 H34B 109.2 . . ?
H34A C34 H34B 107.9 . . ?
C36 C35 C34 110.9(4) . . ?
C36 C35 H35A 109.5 . . ?
C34 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C31 C36 C35 112.9(4) . . ?
C31 C36 H36A 109.0 . . ?
C35 C36 H36A 109.0 . . ?
C31 C36 H36B 109.0 . . ?
C35 C36 H36B 109.0 . . ?
H36A C36 H36B 107.8 . . ?
Cl1 C01 Cl2 110.4(3) . . ?
Cl1 C01 H01A 109.6 . . ?
Cl2 C01 H01A 109.6 . . ?
Cl1 C01 H01B 109.6 . . ?
Cl2 C01 H01B 109.6 . . ?
H01A C01 H01B 108.1 . . ?
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 P1 2.2792(9) . ?
Au1 S1 2.3103(11) . ?
S1 C1 1.773(5) . ?
P1 C11 1.839(4) . ?
P1 C21 1.847(4) . ?
P1 C31 1.863(4) . ?
C1 C6 1.379(7) . ?
C1 C2 1.389(6) . ?
C2 C3 1.373(7) . ?
C2 H2A 0.9500 . ?
C3 C4 1.378(7) . ?
C3 H3A 0.9500 . ?
C4 C5 1.395(6) . ?
C4 C4 1.483(9) 3_765 ?
C5 C6 1.378(7) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C11 C12 1.535(5) . ?
C11 C16 1.545(5) . ?
C11 H11A 1.0000 . ?
C12 C13 1.524(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.513(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.515(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.518(6) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C26 1.522(5) . ?
C21 C22 1.539(5) . ?
C21 H21A 1.0000 . ?
C22 C23 1.534(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.519(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.531(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.534(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C36 1.507(6) . ?
C31 C32 1.526(5) . ?
C31 H31A 1.0000 . ?
C32 C33 1.514(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.482(7) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.545(7) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.512(7) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C01 Cl1 1.720(6) . ?
C01 Cl2 1.746(7) . ?
C01 H01A 0.9900 . ?
C01 H01B 0.9900 . ?
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
P1 Au1 S1 C1 81.2(6) . . . . ?
S1 Au1 P1 C11 22.3(6) . . . . ?
S1 Au1 P1 C21 140.3(5) . . . . ?
S1 Au1 P1 C31 -100.3(5) . . . . ?
Au1 S1 C1 C6 26.7(4) . . . . ?
Au1 S1 C1 C2 -155.2(4) . . . . ?
C6 C1 C2 C3 -1.6(8) . . . . ?
S1 C1 C2 C3 -179.8(5) . . . . ?
C1 C2 C3 C4 0.6(10) . . . . ?
C2 C3 C4 C5 -0.2(8) . . . . ?
C2 C3 C4 C4 180.0(6) . . . 3_765 ?
C3 C4 C5 C6 1.0(7) . . . . ?
C4 C4 C5 C6 -179.2(5) 3_765 . . . ?
C4 C5 C6 C1 -2.2(8) . . . . ?
C2 C1 C6 C5 2.4(7) . . . . ?
S1 C1 C6 C5 -179.5(4) . . . . ?
C21 P1 C11 C12 -55.2(3) . . . . ?
C31 P1 C11 C12 -167.9(3) . . . . ?
Au1 P1 C11 C12 66.8(3) . . . . ?
C21 P1 C11 C16 -176.0(3) . . . . ?
C31 P1 C11 C16 71.3(3) . . . . ?
Au1 P1 C11 C16 -54.1(3) . . . . ?
C16 C11 C12 C13 -54.1(5) . . . . ?
P1 C11 C12 C13 -175.3(3) . . . . ?
C11 C12 C13 C14 56.5(5) . . . . ?
C12 C13 C14 C15 -57.6(5) . . . . ?
C13 C14 C15 C16 58.4(5) . . . . ?
C14 C15 C16 C11 -58.1(5) . . . . ?
C12 C11 C16 C15 55.1(4) . . . . ?
P1 C11 C16 C15 176.6(3) . . . . ?
C11 P1 C21 C26 -64.5(3) . . . . ?
C31 P1 C21 C26 51.8(3) . . . . ?
Au1 P1 C21 C26 176.6(3) . . . . ?
C11 P1 C21 C22 168.7(3) . . . . ?
C31 P1 C21 C22 -75.1(3) . . . . ?
Au1 P1 C21 C22 49.8(3) . . . . ?
C26 C21 C22 C23 56.5(5) . . . . ?
P1 C21 C22 C23 -174.4(3) . . . . ?
C21 C22 C23 C24 -57.0(5) . . . . ?
C22 C23 C24 C25 56.9(6) . . . . ?
C23 C24 C25 C26 -55.9(5) . . . . ?
C22 C21 C26 C25 -56.2(5) . . . . ?
P1 C21 C26 C25 177.2(3) . . . . ?
C24 C25 C26 C21 55.8(5) . . . . ?
C11 P1 C31 C36 -110.5(3) . . . . ?
C21 P1 C31 C36 135.3(3) . . . . ?
Au1 P1 C31 C36 11.3(4) . . . . ?
C11 P1 C31 C32 19.1(4) . . . . ?
C21 P1 C31 C32 -95.1(3) . . . . ?
Au1 P1 C31 C32 140.9(3) . . . . ?
C36 C31 C32 C33 -52.7(5) . . . . ?
P1 C31 C32 C33 176.9(3) . . . . ?
C31 C32 C33 C34 54.4(6) . . . . ?
C32 C33 C34 C35 -54.8(6) . . . . ?
C33 C34 C35 C36 53.7(6) . . . . ?
C32 C31 C36 C35 52.9(5) . . . . ?
P1 C31 C36 C35 -175.9(3) . . . . ?
C34 C35 C36 C31 -52.9(5) . . . . ?
