#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:40:34 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179122 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/84/4308469.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_4308469
loop_
_publ_author_name
'Bratislav Djordjevic'
'Oliver Schuster'
'Hubert Schmidbaur'
_publ_section_title
;
A Cyclic Hexamer of Silver Trifluoroacetate Supported by Four
Triphenylphosphine Sulfide Template Molecules
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              673
_journal_page_last               676
_journal_paper_doi               10.1021/ic048795o
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         '[[(dppbe)AuI2]+I3-]'
_chemical_formula_sum            'C30 H24 Au I5 P2'
_chemical_formula_weight         1277.90
_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     patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.4417(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.80500(10)
_cell_length_b                   14.3361(2)
_cell_length_c                   24.5570(3)
_cell_measurement_reflns_used    76016
_cell_measurement_temperature    143(2)
_cell_volume                     3383.27(7)
_computing_cell_refinement       DENZO
_computing_data_collection       XPRESS
_computing_data_reduction        SCALEPACK
_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 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'NONIUS DIP 2020'
_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  0.0553
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            76016
_diffrn_reflns_theta_full        25.43
_diffrn_reflns_theta_max         25.43
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    9.024
_exptl_absorpt_correction_T_max  0.8540
_exptl_absorpt_correction_T_min  0.5320
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
(See: Walker, N. & Stuart, D. (1983) Acta Cryst. A39, 158-166)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.338
_refine_diff_density_min         -1.469
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6208
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0312
_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)+(0.0340P)²+19.9189P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                6092
_reflns_number_total             6208
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048795osi20041014_114852_2.cif
_cod_data_source_block           19p2cos
_cod_database_code               4308469
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 0.03079(2) 0.191583(15) 0.159362(9) 0.01630(7) Uani 1 1 d . . .
I1 I -0.09642(4) 0.03765(3) 0.118423(18) 0.02827(11) Uani 1 1 d . . .
I4 I -0.35577(4) -0.37382(3) 0.093348(15) 0.02104(10) Uani 1 1 d . . .
I5 I -0.38492(5) -0.57809(3) 0.089367(18) 0.03077(11) Uani 1 1 d . . .
I3 I -0.33118(5) -0.17355(3) 0.096687(19) 0.03027(11) Uani 1 1 d . . .
I2 I -0.02706(5) 0.15478(3) 0.257774(17) 0.02921(11) Uani 1 1 d . . .
P1 P 0.15374(15) 0.32551(10) 0.19297(6) 0.0166(3) Uani 1 1 d . . .
P2 P 0.08970(15) 0.22889(10) 0.07443(6) 0.0158(3) Uani 1 1 d . . .
C11 C 0.2393(6) 0.1642(4) 0.0645(2) 0.0185(11) Uani 1 1 d . . .
C32 C 0.1674(6) 0.3927(4) 0.1321(2) 0.0191(12) Uani 1 1 d . . .
C21 C -0.0484(6) 0.2176(4) 0.0145(2) 0.0176(11) Uani 1 1 d . . .
C41 C 0.3262(6) 0.2935(4) 0.2279(2) 0.0191(12) Uani 1 1 d . . .
C51 C 0.0725(6) 0.4006(4) 0.2355(2) 0.0217(12) Uani 1 1 d . . .
C31 C 0.1379(6) 0.3507(4) 0.0796(2) 0.0165(11) Uani 1 1 d . . .
C23 C -0.2873(7) 0.2428(5) -0.0279(3) 0.0269(14) Uani 1 1 d . . .
H23 H -0.3781 0.2632 -0.0254 0.032 Uiso 1 1 calc R . .
C12 C 0.2271(6) 0.0706(4) 0.0483(2) 0.0217(12) Uani 1 1 d . . .
H12 H 0.1384 0.0414 0.0400 0.026 Uiso 1 1 calc R . .
C16 C 0.3708(6) 0.2071(4) 0.0760(3) 0.0232(13) Uani 1 1 d . . .
H16 H 0.3793 0.2711 0.0863 0.028 Uiso 1 1 calc R . .
C26 C -0.0210(7) 0.1848(5) -0.0361(3) 0.0248(13) Uani 1 1 d . . .
H26 H 0.0700 0.1652 -0.0388 0.030 Uiso 1 1 calc R . .
C13 C 0.3473(7) 0.0205(4) 0.0446(3) 0.0258(13) Uani 1 1 d . . .
H13 H 0.3402 -0.0431 0.0334 0.031 Uiso 1 1 calc R . .
C24 C -0.2613(7) 0.2097(5) -0.0777(3) 0.0261(13) Uani 1 1 d . . .
H24 H -0.3350 0.2064 -0.1093 0.031 Uiso 1 1 calc R . .
C25 C -0.1294(7) 0.1814(5) -0.0821(3) 0.0280(14) Uani 1 1 d . . .
H25 H -0.1127 0.1595 -0.1166 0.034 Uiso 1 1 calc R . .
C15 C 0.4881(6) 0.1553(5) 0.0723(3) 0.0251(13) Uani 1 1 d . . .
H15 H 0.5774 0.1837 0.0803 0.030 Uiso 1 1 calc R . .
C14 C 0.4753(6) 0.0626(5) 0.0568(3) 0.0253(13) Uani 1 1 d . . .
H14 H 0.5562 0.0275 0.0547 0.030 Uiso 1 1 calc R . .
C22 C -0.1806(6) 0.2462(4) 0.0185(3) 0.0215(12) Uani 1 1 d . . .
H22 H -0.1983 0.2681 0.0529 0.026 Uiso 1 1 calc R . .
C35 C 0.1979(7) 0.4934(5) 0.0384(3) 0.0304(15) Uani 1 1 d . . .
H35 H 0.2092 0.5280 0.0066 0.037 Uiso 1 1 calc R . .
C33 C 0.2109(7) 0.4860(5) 0.1373(3) 0.0298(14) Uani 1 1 d . . .
H33 H 0.2302 0.5152 0.1728 0.036 Uiso 1 1 calc R . .
C34 C 0.2255(8) 0.5349(5) 0.0901(3) 0.0336(16) Uani 1 1 d . . .
H34 H 0.2550 0.5982 0.0933 0.040 Uiso 1 1 calc R . .
C44 C 0.5918(7) 0.2363(6) 0.2776(3) 0.0357(17) Uani 1 1 d . . .
H44 H 0.6828 0.2162 0.2944 0.043 Uiso 1 1 calc R . .
C36 C 0.1539(7) 0.4017(5) 0.0326(3) 0.0254(13) Uani 1 1 d . . .
H36 H 0.1346 0.3734 -0.0031 0.030 Uiso 1 1 calc R . .
C52 C 0.1526(7) 0.4494(5) 0.2804(3) 0.0291(14) Uani 1 1 d . . .
H52 H 0.2499 0.4389 0.2911 0.035 Uiso 1 1 calc R . .
C56 C -0.0695(7) 0.4166(5) 0.2204(3) 0.0318(15) Uani 1 1 d . . .
H56 H -0.1231 0.3840 0.1898 0.038 Uiso 1 1 calc R . .
C53 C 0.0867(9) 0.5126(5) 0.3083(3) 0.0383(17) Uani 1 1 d . . .
H53 H 0.1398 0.5474 0.3381 0.046 Uiso 1 1 calc R . .
C42 C 0.4404(7) 0.3222(5) 0.2064(3) 0.0321(15) Uani 1 1 d . . .
H42 H 0.4277 0.3614 0.1746 0.039 Uiso 1 1 calc R . .
C46 C 0.3457(7) 0.2381(5) 0.2746(3) 0.0321(15) Uani 1 1 d . . .
H46 H 0.2681 0.2202 0.2900 0.038 Uiso 1 1 calc R . .
C55 C -0.1325(8) 0.4789(5) 0.2493(3) 0.0364(16) Uani 1 1 d . . .
H55 H -0.2297 0.4896 0.2385 0.044 Uiso 1 1 calc R . .
C54 C -0.0565(8) 0.5265(5) 0.2939(3) 0.0353(16) Uani 1 1 d . . .
H54 H -0.1013 0.5684 0.3146 0.042 Uiso 1 1 calc R . .
C45 C 0.4795(7) 0.2080(6) 0.2996(3) 0.0377(17) Uani 1 1 d . . .
H45 H 0.4927 0.1686 0.3313 0.045 Uiso 1 1 calc R . .
C43 C 0.5735(7) 0.2930(6) 0.2319(3) 0.0367(17) Uani 1 1 d . . .
H43 H 0.6518 0.3126 0.2174 0.044 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
H H 0.0000 0.0000 '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 P2 85.71(5) . . ?
P1 Au1 I1 176.68(4) . . ?
P2 Au1 I1 91.91(4) . . ?
P1 Au1 I2 91.75(4) . . ?
P2 Au1 I2 177.36(4) . . ?
I1 Au1 I2 90.600(15) . . ?
I3 I4 I5 179.23(2) . . ?
C51 P1 C41 111.1(3) . . ?
C51 P1 C32 106.0(3) . . ?
C41 P1 C32 108.3(3) . . ?
C51 P1 Au1 116.3(2) . . ?
C41 P1 Au1 109.3(2) . . ?
C32 P1 Au1 105.3(2) . . ?
C11 P2 C21 110.2(3) . . ?
C11 P2 C31 107.5(3) . . ?
C21 P2 C31 106.8(3) . . ?
C11 P2 Au1 110.95(19) . . ?
C21 P2 Au1 115.55(19) . . ?
C31 P2 Au1 105.47(18) . . ?
C12 C11 C16 120.1(5) . . ?
C12 C11 P2 120.6(5) . . ?
C16 C11 P2 119.2(5) . . ?
C31 C32 C33 120.0(6) . . ?
C31 C32 P1 119.8(4) . . ?
C33 C32 P1 120.2(5) . . ?
C22 C21 C26 120.7(6) . . ?
C22 C21 P2 118.6(4) . . ?
C26 C21 P2 120.6(5) . . ?
C46 C41 C42 119.8(6) . . ?
C46 C41 P1 120.5(5) . . ?
C42 C41 P1 119.7(5) . . ?
C56 C51 C52 120.2(6) . . ?
C56 C51 P1 118.8(5) . . ?
C52 C51 P1 120.8(5) . . ?
C36 C31 C32 119.8(6) . . ?
C36 C31 P2 121.2(5) . . ?
C32 C31 P2 118.9(4) . . ?
C24 C23 C22 119.8(6) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C11 C12 C13 119.1(6) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C15 C16 C11 119.4(6) . . ?
C15 C16 H16 120.3 . . ?
C11 C16 H16 120.3 . . ?
C25 C26 C21 118.7(6) . . ?
C25 C26 H26 120.6 . . ?
C21 C26 H26 120.6 . . ?
C14 C13 C12 120.4(6) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C25 C24 C23 120.6(6) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C24 C25 C26 120.3(6) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C14 C15 C16 120.1(6) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C13 C14 C15 120.9(6) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 H14 119.5 . . ?
C21 C22 C23 119.8(6) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C34 C35 C36 120.4(6) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C34 C33 C32 119.0(6) . . ?
C34 C33 H33 120.5 . . ?
C32 C33 H33 120.5 . . ?
C35 C34 C33 121.1(6) . . ?
C35 C34 H34 119.4 . . ?
C33 C34 H34 119.4 . . ?
C43 C44 C45 120.7(6) . . ?
C43 C44 H44 119.7 . . ?
C45 C44 H44 119.7 . . ?
C35 C36 C31 119.7(6) . . ?
C35 C36 H36 120.2 . . ?
C31 C36 H36 120.2 . . ?
C53 C52 C51 118.4(6) . . ?
C53 C52 H52 120.8 . . ?
C51 C52 H52 120.8 . . ?
C55 C56 C51 120.2(6) . . ?
C55 C56 H56 119.9 . . ?
C51 C56 H56 119.9 . . ?
C52 C53 C54 121.2(7) . . ?
C52 C53 H53 119.4 . . ?
C54 C53 H53 119.4 . . ?
C41 C42 C43 119.6(6) . . ?
C41 C42 H42 120.2 . . ?
C43 C42 H42 120.2 . . ?
C41 C46 C45 120.4(6) . . ?
C41 C46 H46 119.8 . . ?
C45 C46 H46 119.8 . . ?
C56 C55 C54 120.6(7) . . ?
C56 C55 H55 119.7 . . ?
C54 C55 H55 119.7 . . ?
C55 C54 C53 119.4(6) . . ?
C55 C54 H54 120.3 . . ?
C53 C54 H54 120.3 . . ?
C44 C45 C46 119.3(7) . . ?
C44 C45 H45 120.4 . . ?
C46 C45 H45 120.4 . . ?
C44 C43 C42 120.3(7) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
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 2.3293(15) . ?
Au1 P2 2.3340(14) . ?
Au1 I1 2.6342(4) . ?
Au1 I2 2.6428(4) . ?
I4 I3 2.8811(6) . ?
I4 I5 2.9420(6) . ?
P1 C51 1.793(6) . ?
P1 C41 1.797(6) . ?
P1 C32 1.807(6) . ?
P2 C11 1.793(6) . ?
P2 C21 1.799(6) . ?
P2 C31 1.807(6) . ?
C11 C12 1.397(8) . ?
C11 C16 1.406(9) . ?
C32 C31 1.400(8) . ?
C32 C33 1.401(9) . ?
C21 C22 1.382(8) . ?
C21 C26 1.402(8) . ?
C41 C46 1.377(9) . ?
C41 C42 1.391(9) . ?
C51 C56 1.387(9) . ?
C51 C52 1.406(9) . ?
C31 C36 1.400(8) . ?
C23 C24 1.383(10) . ?
C23 C22 1.386(9) . ?
C23 H23 0.9500 . ?
C12 C13 1.399(9) . ?
C12 H12 0.9500 . ?
C16 C15 1.388(9) . ?
C16 H16 0.9500 . ?
C26 C25 1.390(9) . ?
C26 H26 0.9500 . ?
C13 C14 1.371(9) . ?
C13 H13 0.9500 . ?
C24 C25 1.380(10) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C15 C14 1.382(9) . ?
C15 H15 0.9500 . ?
C14 H14 0.9500 . ?
C22 H22 0.9500 . ?
C35 C34 1.378(10) . ?
C35 C36 1.383(10) . ?
C35 H35 0.9500 . ?
C33 C34 1.388(9) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C44 C43 1.370(11) . ?
C44 C45 1.380(10) . ?
C44 H44 0.9500 . ?
C36 H36 0.9500 . ?
C52 C53 1.373(10) . ?
C52 H52 0.9500 . ?
C56 C55 1.362(10) . ?
C56 H56 0.9500 . ?
C53 C54 1.393(11) . ?
C53 H53 0.9500 . ?
C42 C43 1.395(10) . ?
C42 H42 0.9500 . ?
C46 C45 1.402(10) . ?
C46 H46 0.9500 . ?
C55 C54 1.378(11) . ?
C55 H55 0.9500 . ?
C54 H54 0.9500 . ?
C45 H45 0.9500 . ?
C43 H43 0.9500 . ?
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
P2 Au1 P1 C51 135.1(2) . . . . ?
I1 Au1 P1 C51 179(95) . . . . ?
I2 Au1 P1 C51 -45.6(2) . . . . ?
P2 Au1 P1 C41 -98.2(2) . . . . ?
I1 Au1 P1 C41 -53.9(7) . . . . ?
I2 Au1 P1 C41 81.1(2) . . . . ?
P2 Au1 P1 C32 18.0(2) . . . . ?
I1 Au1 P1 C32 62.3(7) . . . . ?
I2 Au1 P1 C32 -162.7(2) . . . . ?
P1 Au1 P2 C11 97.5(2) . . . . ?
I1 Au1 P2 C11 -80.2(2) . . . . ?
I2 Au1 P2 C11 82.1(9) . . . . ?
P1 Au1 P2 C21 -136.2(2) . . . . ?
I1 Au1 P2 C21 46.1(2) . . . . ?
I2 Au1 P2 C21 -151.6(8) . . . . ?
P1 Au1 P2 C31 -18.55(19) . . . . ?
I1 Au1 P2 C31 163.77(19) . . . . ?
I2 Au1 P2 C31 -34.0(9) . . . . ?
C21 P2 C11 C12 -51.5(5) . . . . ?
C31 P2 C11 C12 -167.4(5) . . . . ?
Au1 P2 C11 C12 77.7(5) . . . . ?
C21 P2 C11 C16 132.0(5) . . . . ?
C31 P2 C11 C16 16.0(5) . . . . ?
Au1 P2 C11 C16 -98.8(5) . . . . ?
C51 P1 C32 C31 -138.3(5) . . . . ?
C41 P1 C32 C31 102.4(5) . . . . ?
Au1 P1 C32 C31 -14.4(5) . . . . ?
C51 P1 C32 C33 43.4(6) . . . . ?
C41 P1 C32 C33 -75.9(6) . . . . ?
Au1 P1 C32 C33 167.2(5) . . . . ?
C11 P2 C21 C22 166.9(5) . . . . ?
C31 P2 C21 C22 -76.7(5) . . . . ?
Au1 P2 C21 C22 40.2(5) . . . . ?
C11 P2 C21 C26 -16.2(6) . . . . ?
C31 P2 C21 C26 100.2(5) . . . . ?
Au1 P2 C21 C26 -142.9(5) . . . . ?
C51 P1 C41 C46 66.8(6) . . . . ?
C32 P1 C41 C46 -177.1(5) . . . . ?
Au1 P1 C41 C46 -62.8(6) . . . . ?
C51 P1 C41 C42 -115.6(5) . . . . ?
C32 P1 C41 C42 0.5(6) . . . . ?
Au1 P1 C41 C42 114.8(5) . . . . ?
C41 P1 C51 C56 -166.8(5) . . . . ?
C32 P1 C51 C56 75.7(6) . . . . ?
Au1 P1 C51 C56 -40.9(6) . . . . ?
C41 P1 C51 C52 19.1(6) . . . . ?
C32 P1 C51 C52 -98.4(5) . . . . ?
Au1 P1 C51 C52 144.9(5) . . . . ?
C33 C32 C31 C36 0.9(9) . . . . ?
P1 C32 C31 C36 -177.4(5) . . . . ?
C33 C32 C31 P2 177.2(5) . . . . ?
P1 C32 C31 P2 -1.2(7) . . . . ?
C11 P2 C31 C36 73.9(5) . . . . ?
C21 P2 C31 C36 -44.2(6) . . . . ?
Au1 P2 C31 C36 -167.6(4) . . . . ?
C11 P2 C31 C32 -102.3(5) . . . . ?
C21 P2 C31 C32 139.6(5) . . . . ?
Au1 P2 C31 C32 16.1(5) . . . . ?
C16 C11 C12 C13 0.8(9) . . . . ?
P2 C11 C12 C13 -175.7(5) . . . . ?
C12 C11 C16 C15 -1.2(9) . . . . ?
P2 C11 C16 C15 175.4(5) . . . . ?
C22 C21 C26 C25 -0.1(9) . . . . ?
P2 C21 C26 C25 -176.9(5) . . . . ?
C11 C12 C13 C14 0.3(9) . . . . ?
C22 C23 C24 C25 -1.1(10) . . . . ?
C23 C24 C25 C26 0.8(10) . . . . ?
C21 C26 C25 C24 -0.2(10) . . . . ?
C11 C16 C15 C14 0.5(9) . . . . ?
C12 C13 C14 C15 -1.0(9) . . . . ?
C16 C15 C14 C13 0.6(10) . . . . ?
C26 C21 C22 C23 -0.2(9) . . . . ?
P2 C21 C22 C23 176.6(5) . . . . ?
C24 C23 C22 C21 0.8(10) . . . . ?
C31 C32 C33 C34 -0.7(10) . . . . ?
P1 C32 C33 C34 177.6(5) . . . . ?
C36 C35 C34 C33 0.5(11) . . . . ?
C32 C33 C34 C35 0.0(11) . . . . ?
C34 C35 C36 C31 -0.3(10) . . . . ?
C32 C31 C36 C35 -0.4(9) . . . . ?
P2 C31 C36 C35 -176.6(5) . . . . ?
C56 C51 C52 C53 -0.1(10) . . . . ?
P1 C51 C52 C53 174.0(5) . . . . ?
C52 C51 C56 C55 -0.7(10) . . . . ?
P1 C51 C56 C55 -174.8(6) . . . . ?
C51 C52 C53 C54 1.8(11) . . . . ?
C46 C41 C42 C43 1.2(11) . . . . ?
P1 C41 C42 C43 -176.5(6) . . . . ?
C42 C41 C46 C45 -2.1(11) . . . . ?
P1 C41 C46 C45 175.6(6) . . . . ?
C51 C56 C55 C54 -0.3(12) . . . . ?
C56 C55 C54 C53 2.0(12) . . . . ?
C52 C53 C54 C55 -2.8(12) . . . . ?
C43 C44 C45 C46 -0.1(12) . . . . ?
C41 C46 C45 C44 1.5(12) . . . . ?
C45 C44 C43 C42 -0.7(12) . . . . ?
C41 C42 C43 C44 0.2(12) . . . . ?
