#------------------------------------------------------------------------------
#$Date: 2019-11-26 00:24:41 +0200 (Tue, 26 Nov 2019) $
#$Revision: 242160 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/21/4132117.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_4132117
loop_
_publ_author_name
'Walters, Daniel T.'
'Aghakhanpour, Reza Babadi'
'Powers, Xian B.'
'Ghiassi, Kamran B.'
'Olmstead, Marilyn M.'
'Balch, Alan L.'
_publ_section_title
;
 Utilization of a Nonemissive Triphosphine Ligand to Construct a
 Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a
 Helical Complex.
;
_journal_issue                   24
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7533
_journal_page_last               7542
_journal_paper_doi               10.1021/jacs.8b01666
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C136 H132 Au6 P12, 5(As F6), 8(C7 H8), Cl'
_chemical_formula_sum            'C192 H196 As5 Au6 Cl F30 P12'
_chemical_formula_weight         5036.96
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 92.846(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.454(7)
_cell_length_b                   33.300(6)
_cell_length_c                   15.960(3)
_cell_measurement_reflns_used    17346
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      25.265
_cell_measurement_theta_min      2.923
_cell_volume                     18819(6)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'Apex2 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker ApexII'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_unetI/netI     0.0437
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            90625
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.424
_diffrn_reflns_theta_min         1.552
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.730
_exptl_absorpt_correction_T_max  0.020
_exptl_absorpt_correction_T_min  0.003
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2014)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_description       needle
_exptl_crystal_F_000             9816
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.129
_exptl_crystal_size_min          0.078
_refine_diff_density_max         3.326
_refine_diff_density_min         -1.465
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     937
_refine_ls_number_reflns         17345
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0349P)²+403.0175P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.0999
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14015
_reflns_number_total             17345
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja8b01666_si_005.cif
_cod_data_source_block           dw31
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4132117
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.239
_shelx_estimated_absorpt_t_max   0.663
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.14815(2) 0.13700(2) 0.09293(2) 0.01953(7) Uani 1 1 d . . . . .
Au2 Au 0.36221(2) 0.15336(2) -0.08949(2) 0.01685(7) Uani 1 1 d . . . . .
Au3 Au 0.29125(2) 0.25303(2) 0.20332(2) 0.01709(7) Uani 1 1 d . . . . .
P1 P 0.17590(5) 0.13927(6) 0.22713(11) 0.0189(4) Uani 1 1 d . . . . .
P2 P 0.29028(5) 0.18411(5) 0.19229(11) 0.0171(4) Uani 1 1 d . . . . .
P3 P 0.38759(5) 0.14835(6) 0.04627(11) 0.0171(4) Uani 1 1 d . . . . .
P4 P 0.37778(5) 0.36816(6) 0.04250(11) 0.0203(4) Uani 1 1 d . . . . .
P5 P 0.28473(5) 0.32162(5) 0.18909(11) 0.0169(4) Uani 1 1 d . . . . .
P6 P 0.16441(5) 0.34394(6) 0.22423(11) 0.0173(4) Uani 1 1 d . . . . .
As1 As 0.09770(2) 0.23668(2) 0.68050(4) 0.02057(16) Uani 1 1 d . . . . .
As2 As 0.250000 0.250000 0.500000 0.0230(2) Uani 1 2 d S . P . .
As3 As 0.23017(2) 0.44030(2) 0.01023(5) 0.02388(17) Uani 1 1 d . . . . .
F1 F 0.05279(12) 0.23453(14) 0.7176(3) 0.0323(11) Uani 1 1 d . . . . .
F2 F 0.09419(13) 0.28849(13) 0.6747(3) 0.0351(11) Uani 1 1 d . . . . .
F3 F 0.11605(12) 0.24072(13) 0.7828(2) 0.0286(10) Uani 1 1 d . . . . .
F4 F 0.10117(13) 0.18501(14) 0.6879(3) 0.0344(11) Uani 1 1 d . . . . .
F5 F 0.07905(13) 0.23251(15) 0.5789(3) 0.0337(11) Uani 1 1 d . . . . .
F6 F 0.14211(12) 0.23873(15) 0.6438(3) 0.0350(11) Uani 1 1 d . . . . .
F7 F 0.20297(13) 0.24012(16) 0.5131(3) 0.0413(12) Uani 1 1 d . . . . .
F8 F 0.23909(16) 0.29946(15) 0.4860(4) 0.0546(15) Uani 1 1 d . . . . .
F9 F 0.25678(16) 0.25723(19) 0.6061(3) 0.0558(16) Uani 1 1 d . . . . .
F10 F 0.19868(14) 0.40416(14) 0.0396(3) 0.0358(11) Uani 1 1 d . . . . .
F11 F 0.20101(14) 0.47754(13) 0.0433(3) 0.0357(11) Uani 1 1 d . . . . .
F12 F 0.25287(14) 0.43760(13) 0.1079(3) 0.0324(11) Uani 1 1 d . . . . .
F13 F 0.25997(14) 0.40301(13) -0.0232(3) 0.0340(11) Uani 1 1 d . . . . .
F14 F 0.20829(14) 0.44149(13) -0.0889(3) 0.0340(11) Uani 1 1 d . . . . .
F15 F 0.26197(14) 0.47622(13) -0.0195(3) 0.0350(11) Uani 1 1 d . . . . .
Cl1 Cl 0.250000 0.250000 0.000000 0.0248(6) Uani 1 2 d S . P . .
C1 C 0.1441(2) 0.1521(3) 0.3081(5) 0.0302(19) Uani 1 1 d . . . . .
C2 C 0.1539(2) 0.1759(2) 0.3763(5) 0.0272(17) Uani 1 1 d . . . . .
H2 H 0.178100 0.188216 0.379943 0.033 Uiso 1 1 calc R U . . .
C3 C 0.1294(2) 0.1824(3) 0.4392(5) 0.036(2) Uani 1 1 d . . . . .
H3 H 0.136873 0.198176 0.486673 0.043 Uiso 1 1 calc R U . . .
C4 C 0.0939(3) 0.1657(4) 0.4325(7) 0.078(4) Uani 1 1 d . . . . .
H4 H 0.077095 0.169209 0.476406 0.094 Uiso 1 1 calc R U . . .
C5 C 0.0826(4) 0.1436(4) 0.3620(9) 0.088(4) Uani 1 1 d . U . . .
H5 H 0.057339 0.134373 0.354597 0.106 Uiso 1 1 calc R U . . .
C6 C 0.1086(3) 0.1352(4) 0.3024(7) 0.074(4) Uani 1 1 d . . . . .
H6 H 0.101821 0.117675 0.257195 0.089 Uiso 1 1 calc R U . . .
C7 C 0.1974(2) 0.0919(2) 0.2582(5) 0.0253(17) Uani 1 1 d . . . . .
C8 C 0.2105(2) 0.0855(2) 0.3420(5) 0.0301(19) Uani 1 1 d . . . . .
H8 H 0.205492 0.104922 0.383718 0.036 Uiso 1 1 calc R U . . .
C9 C 0.2305(3) 0.0511(3) 0.3634(5) 0.041(2) Uani 1 1 d . . . . .
H9 H 0.238930 0.046777 0.420144 0.049 Uiso 1 1 calc R U . . .
C10 C 0.2385(3) 0.0230(3) 0.3031(6) 0.041(2) Uani 1 1 d . . . . .
H10 H 0.252469 -0.000500 0.318354 0.049 Uiso 1 1 calc R U . . .
C11 C 0.2261(3) 0.0290(3) 0.2202(5) 0.036(2) Uani 1 1 d . . . . .
H11 H 0.231721 0.009843 0.178597 0.043 Uiso 1 1 calc R U . . .
C12 C 0.2051(2) 0.0635(2) 0.1981(5) 0.0304(18) Uani 1 1 d . . . . .
H12 H 0.196267 0.067387 0.141524 0.037 Uiso 1 1 calc R U . . .
C13 C 0.21604(19) 0.1743(2) 0.2366(4) 0.0185(15) Uani 1 1 d . . . . .
H13A H 0.206772 0.202293 0.233687 0.022 Uiso 1 1 calc R U . . .
H13B H 0.229955 0.170394 0.291328 0.022 Uiso 1 1 calc R U . . .
C14 C 0.24238(19) 0.1664(2) 0.1650(4) 0.0195(15) Uani 1 1 d . . . . .
H14A H 0.232487 0.180254 0.113675 0.023 Uiso 1 1 calc R U . . .
H14B H 0.243029 0.137204 0.153064 0.023 Uiso 1 1 calc R U . . .
C15 C 0.3061(2) 0.1528(2) 0.2800(4) 0.0199(15) Uani 1 1 d . . . . .
C16 C 0.3142(2) 0.1695(2) 0.3584(5) 0.0298(18) Uani 1 1 d . . . . .
H16 H 0.312513 0.197704 0.366130 0.036 Uiso 1 1 calc R U . . .
C17 C 0.3246(3) 0.1449(3) 0.4252(5) 0.045(2) Uani 1 1 d . . . . .
H17 H 0.329604 0.156298 0.479227 0.054 Uiso 1 1 calc R U . . .
C18 C 0.3280(3) 0.1036(3) 0.4144(5) 0.036(2) Uani 1 1 d . . . . .
H18 H 0.335791 0.087059 0.460636 0.043 Uiso 1 1 calc R U . . .
C19 C 0.3199(2) 0.0864(3) 0.3367(5) 0.034(2) Uani 1 1 d . . . . .
H19 H 0.321910 0.058258 0.328874 0.041 Uiso 1 1 calc R U . . .
C20 C 0.3089(2) 0.1114(2) 0.2702(5) 0.0287(18) Uani 1 1 d . . . . .
H20 H 0.303177 0.099958 0.216637 0.034 Uiso 1 1 calc R U . . .
C21 C 0.31735(19) 0.1665(2) 0.1055(4) 0.0192(15) Uani 1 1 d . . . . .
H21A H 0.313250 0.137309 0.097648 0.023 Uiso 1 1 calc R U . . .
H21B H 0.308394 0.180272 0.053236 0.023 Uiso 1 1 calc R U . . .
C22 C 0.35961(18) 0.1747(2) 0.1220(4) 0.0192(15) Uani 1 1 d . . . . .
H22A H 0.367433 0.165770 0.179409 0.023 Uiso 1 1 calc R U . . .
H22B H 0.364368 0.203903 0.118243 0.023 Uiso 1 1 calc R U . . .
C23 C 0.3920(2) 0.0971(2) 0.0840(5) 0.0218(16) Uani 1 1 d . . . . .
C24 C 0.4031(3) 0.0893(3) 0.1675(5) 0.041(2) Uani 1 1 d . . . . .
H24 H 0.406805 0.110974 0.205653 0.049 Uiso 1 1 calc R U . . .
C25 C 0.4087(3) 0.0506(3) 0.1953(6) 0.050(3) Uani 1 1 d . . . . .
H25 H 0.416441 0.045757 0.252275 0.060 Uiso 1 1 calc R U . . .
C26 C 0.4033(3) 0.0188(3) 0.1406(6) 0.047(2) Uani 1 1 d . . . . .
H26 H 0.407270 -0.007878 0.160167 0.056 Uiso 1 1 calc R U . . .
C27 C 0.3922(3) 0.0254(3) 0.0588(6) 0.049(3) Uani 1 1 d . . . . .
H27 H 0.388426 0.003461 0.021321 0.059 Uiso 1 1 calc R U . . .
C28 C 0.3863(3) 0.0651(3) 0.0301(5) 0.039(2) Uani 1 1 d . . . . .
H28A H 0.378339 0.069803 -0.026778 0.046 Uiso 1 1 calc R U . . .
C29 C 0.4349(2) 0.1686(2) 0.0570(4) 0.0226(16) Uani 1 1 d . . . . .
C30 C 0.4592(2) 0.1604(3) -0.0073(5) 0.033(2) Uani 1 1 d . . . . .
H30 H 0.450417 0.144728 -0.054107 0.040 Uiso 1 1 calc R U . . .
C31 C 0.4955(2) 0.1748(3) -0.0034(6) 0.044(2) Uani 1 1 d . . . . .
H31 H 0.511888 0.168910 -0.047102 0.053 Uiso 1 1 calc R U . . .
C32 C 0.5084(2) 0.1982(3) 0.0649(6) 0.045(2) Uani 1 1 d . . . . .
H32A H 0.533467 0.208394 0.067627 0.054 Uiso 1 1 calc R U . . .
C33 C 0.4845(2) 0.2063(3) 0.1282(5) 0.036(2) Uani 1 1 d . . . . .
H33 H 0.493047 0.222633 0.174156 0.043 Uiso 1 1 calc R U . . .
C34 C 0.4481(2) 0.1910(2) 0.1256(5) 0.0287(18) Uani 1 1 d . . . . .
H34 H 0.432255 0.195824 0.170714 0.034 Uiso 1 1 calc R U . . .
C35 C 0.4269(2) 0.3539(3) 0.0523(5) 0.0285(18) Uani 1 1 d . . . . .
C36 C 0.4419(2) 0.3323(2) 0.1217(5) 0.0294(18) Uani 1 1 d . . . . .
H36 H 0.426276 0.326107 0.166662 0.035 Uiso 1 1 calc R U . . .
C37 C 0.4789(2) 0.3202(3) 0.1252(6) 0.042(2) Uani 1 1 d . . . . .
H37 H 0.488665 0.305138 0.171959 0.050 Uiso 1 1 calc R U . . .
C38 C 0.5021(3) 0.3298(4) 0.0615(7) 0.061(3) Uani 1 1 d . . . . .
H38 H 0.527857 0.321761 0.064545 0.074 Uiso 1 1 calc R U . . .
C39 C 0.4875(3) 0.3515(4) -0.0079(7) 0.069(4) Uani 1 1 d . . . . .
H39 H 0.503226 0.358080 -0.052296 0.083 Uiso 1 1 calc R U . . .
C40 C 0.4491(3) 0.3635(3) -0.0118(6) 0.046(2) Uani 1 1 d . . . . .
H40 H 0.439020 0.378166 -0.058812 0.055 Uiso 1 1 calc R U . . .
C41 C 0.3745(2) 0.4190(2) 0.0847(4) 0.0253(17) Uani 1 1 d . . . . .
C42 C 0.3965(3) 0.4301(3) 0.1553(6) 0.042(2) Uani 1 1 d . . . . .
H42 H 0.414757 0.412071 0.179395 0.050 Uiso 1 1 calc R U . . .
C43 C 0.3917(3) 0.4679(3) 0.1907(6) 0.053(3) Uani 1 1 d . . . . .
H43 H 0.407223 0.475820 0.238081 0.063 Uiso 1 1 calc R U . . .
C44 C 0.3648(3) 0.4939(3) 0.1579(6) 0.047(2) Uani 1 1 d . . . . .
H44 H 0.361513 0.519438 0.183005 0.056 Uiso 1 1 calc R U . . .
C45 C 0.3426(3) 0.4828(3) 0.0884(5) 0.038(2) Uani 1 1 d . . . . .
H45 H 0.323925 0.500705 0.065391 0.046 Uiso 1 1 calc R U . . .
C46 C 0.3475(2) 0.4453(3) 0.0520(5) 0.0306(18) Uani 1 1 d . . . . .
H46 H 0.332170 0.437721 0.004153 0.037 Uiso 1 1 calc R U . . .
C47 C 0.3526(2) 0.3377(2) 0.1168(4) 0.0211(16) Uani 1 1 d . . . . .
H47A H 0.360041 0.309238 0.111149 0.025 Uiso 1 1 calc R U . . .
H47B H 0.359822 0.346459 0.174718 0.025 Uiso 1 1 calc R U . . .
C48 C 0.30956(18) 0.3417(2) 0.1013(4) 0.0184(15) Uani 1 1 d . . . . .
H48A H 0.301562 0.326969 0.049520 0.022 Uiso 1 1 calc R U . . .
H48B H 0.302851 0.370303 0.093182 0.022 Uiso 1 1 calc R U . . .
C49 C 0.2963(2) 0.3543(2) 0.2772(4) 0.0197(15) Uani 1 1 d . . . . .
C50 C 0.3019(2) 0.3955(2) 0.2664(5) 0.0267(17) Uani 1 1 d . . . . .
H50 H 0.302129 0.406362 0.211438 0.032 Uiso 1 1 calc R U . . .
C51 C 0.3072(3) 0.4206(2) 0.3352(5) 0.036(2) Uani 1 1 d . . . . .
H51 H 0.311925 0.448412 0.327478 0.043 Uiso 1 1 calc R U . . .
C52 C 0.3055(3) 0.4049(3) 0.4155(5) 0.039(2) Uani 1 1 d . . . . .
H52 H 0.308273 0.422183 0.462718 0.047 Uiso 1 1 calc R U . . .
C53 C 0.2999(2) 0.3646(3) 0.4271(5) 0.034(2) Uani 1 1 d . . . . .
H53 H 0.298478 0.354165 0.482289 0.041 Uiso 1 1 calc R U . . .
C54 C 0.2961(2) 0.3388(2) 0.3581(4) 0.0259(17) Uani 1 1 d . . . . .
H54 H 0.293449 0.310724 0.366431 0.031 Uiso 1 1 calc R U . . .
C55 C 0.23546(19) 0.3336(2) 0.1630(4) 0.0173(15) Uani 1 1 d . . . . .
H55A H 0.232475 0.363081 0.158224 0.021 Uiso 1 1 calc R U . . .
H55B H 0.227780 0.321565 0.108038 0.021 Uiso 1 1 calc R U . . .
C56 C 0.20974(19) 0.3175(2) 0.2306(4) 0.0180(15) Uani 1 1 d . . . . .
H56A H 0.222170 0.321498 0.286922 0.022 Uiso 1 1 calc R U . . .
H56B H 0.205492 0.288383 0.222219 0.022 Uiso 1 1 calc R U . . .
C57 C 0.1747(2) 0.3933(2) 0.2666(5) 0.0274(18) Uani 1 1 d . . . . .
C58 C 0.1943(3) 0.3979(3) 0.3444(5) 0.039(2) Uani 1 1 d . . . . .
H58 H 0.202929 0.374936 0.375094 0.047 Uiso 1 1 calc R U . . .
C59 C 0.2010(3) 0.4358(3) 0.3760(6) 0.052(3) Uani 1 1 d . . . . .
H59 H 0.214891 0.438895 0.428124 0.062 Uiso 1 1 calc R U . . .
C60 C 0.1879(3) 0.4691(3) 0.3331(7) 0.055(3) Uani 1 1 d . . . . .
H60 H 0.191855 0.495049 0.356857 0.066 Uiso 1 1 calc R U . . .
C61 C 0.1689(3) 0.4653(3) 0.2551(7) 0.057(3) Uani 1 1 d . . . . .
H61 H 0.160911 0.488431 0.224190 0.068 Uiso 1 1 calc R U . . .
C62 C 0.1618(3) 0.4268(3) 0.2230(6) 0.040(2) Uani 1 1 d . . . . .
H62 H 0.148065 0.423668 0.170792 0.048 Uiso 1 1 calc R U . . .
C63 C 0.1345(2) 0.3197(2) 0.2977(5) 0.0266(17) Uani 1 1 d . . . . .
C64 C 0.0956(2) 0.3205(3) 0.2798(5) 0.036(2) Uani 1 1 d . . . . .
H64 H 0.085827 0.332444 0.229226 0.043 Uiso 1 1 calc R U . . .
C65 C 0.0709(3) 0.3038(3) 0.3356(6) 0.047(3) Uani 1 1 d . . . . .
H65 H 0.044399 0.304578 0.323235 0.056 Uiso 1 1 calc R U . . .
C66 C 0.0850(3) 0.2860(3) 0.4088(5) 0.040(2) Uani 1 1 d . . . . .
H66A H 0.068294 0.274484 0.446767 0.049 Uiso 1 1 calc R U . . .
C67 C 0.1238(2) 0.2851(3) 0.4270(5) 0.034(2) Uani 1 1 d . . . . .
H67 H 0.133436 0.273509 0.478037 0.041 Uiso 1 1 calc R U . . .
C68 C 0.1485(2) 0.3013(2) 0.3705(4) 0.0236(16) Uani 1 1 d . . . . .
H68 H 0.174951 0.299665 0.382045 0.028 Uiso 1 1 calc R U . . .
C69 C 0.40814(19) 0.2677(2) -0.1423(4) 0.092(4) Uiso 1 1 d G . . . .
C70 C 0.3700(2) 0.2651(2) -0.1660(3) 0.070(3) Uiso 1 1 d G . . . .
H70 H 0.362127 0.267518 -0.223557 0.084 Uiso 1 1 d G U . . .
C71 C 0.34337(15) 0.2591(2) -0.1065(4) 0.065(3) Uiso 1 1 d G . . . .
H71 H 0.317346 0.257514 -0.123433 0.078 Uiso 1 1 d G U . . .
C72 C 0.35454(17) 0.2555(2) -0.0226(4) 0.055(3) Uiso 1 1 d G . . . .
H72 H 0.336252 0.251068 0.017993 0.066 Uiso 1 1 d G U . . .
C73 C 0.39213(19) 0.2582(2) 0.0019(3) 0.049(2) Uiso 1 1 d G . . . .
H73 H 0.399820 0.256129 0.059558 0.059 Uiso 1 1 d G U . . .
C74 C 0.41886(15) 0.2640(2) -0.0573(4) 0.066(3) Uiso 1 1 d G . . . .
H74 H 0.444844 0.265434 -0.039810 0.079 Uiso 1 1 d G U . . .
C75 C 0.4368(3) 0.2733(4) -0.2080(6) 0.211(12) Uiso 1 1 d G . . . .
H75A H 0.462175 0.274466 -0.180868 0.317 Uiso 1 1 d G U . . .
H75B H 0.435286 0.250704 -0.247371 0.317 Uiso 1 1 d G U . . .
H75C H 0.431522 0.298382 -0.238469 0.317 Uiso 1 1 d G U . . .
C76 C 0.56285(14) 0.08770(15) -0.0007(3) 0.054(3) Uiso 1 1 d G . . . .
C77 C 0.56620(18) 0.11028(19) 0.0723(4) 0.060(3) Uiso 1 1 d G . . . .
H77 H 0.586438 0.128792 0.080198 0.072 Uiso 1 1 d G U . . .
C78 C 0.5402(2) 0.1061(2) 0.1340(4) 0.081(4) Uiso 1 1 d G . . . .
H78 H 0.542781 0.121659 0.183773 0.097 Uiso 1 1 d G U . . .
C79 C 0.51059(19) 0.0792(2) 0.1232(4) 0.079(4) Uiso 1 1 d G . . . .
H79 H 0.492705 0.076597 0.165233 0.095 Uiso 1 1 d G U . . .
C80 C 0.50711(18) 0.0565(2) 0.0515(5) 0.086(4) Uiso 1 1 d G . . . .
H80 H 0.487000 0.037707 0.044433 0.104 Uiso 1 1 d G U . . .
C81 C 0.53280(18) 0.06073(19) -0.0104(4) 0.071(3) Uiso 1 1 d G . . . .
H81 H 0.529936 0.045133 -0.060128 0.085 Uiso 1 1 d G U . . .
C82 C 0.5908(2) 0.0933(2) -0.0678(4) 0.056(3) Uiso 1 1 d G . . . .
H82A H 0.584491 0.075197 -0.114797 0.085 Uiso 1 1 d G U . . .
H82B H 0.589932 0.121170 -0.087531 0.085 Uiso 1 1 d G U . . .
H82C H 0.616317 0.087188 -0.044620 0.085 Uiso 1 1 d G U . . .
C83A C -0.0347(4) -0.0629(4) 0.3980(8) 0.063(6) Uiso 0.5 1 d G . P A -1
C84A C -0.0402(4) -0.0388(4) 0.4673(9) 0.076(7) Uiso 0.5 1 d G . P A -1
H84A H -0.021792 -0.019274 0.483890 0.091 Uiso 0.5 1 d G U P A -1
C85A C -0.0723(5) -0.0431(5) 0.5127(9) 0.091(9) Uiso 0.5 1 d G . P A -1
H85A H -0.075789 -0.026472 0.560159 0.109 Uiso 0.5 1 d G U P A -1
C86A C -0.0994(4) -0.0714(6) 0.4892(11) 0.089(9) Uiso 0.5 1 d G . P A -1
H86A H -0.121488 -0.074037 0.520040 0.107 Uiso 0.5 1 d G U P A -1
C87A C -0.0941(4) -0.0956(5) 0.4212(12) 0.128(15) Uiso 0.5 1 d G . P A -1
H87A H -0.112476 -0.115320 0.405519 0.154 Uiso 0.5 1 d G U P A -1
C88A C -0.0623(4) -0.0913(5) 0.3753(10) 0.055(7) Uiso 0.5 1 d G . P A -1
H88A H -0.059098 -0.108103 0.327315 0.066 Uiso 0.5 1 d G U P A -1
C89A C 0.0028(4) -0.0594(6) 0.3530(12) 0.097(9) Uiso 0.5 1 d G . P A -1
H89A H 0.017838 -0.038160 0.377955 0.145 Uiso 0.5 1 d G U P A -1
H89B H 0.016445 -0.084309 0.358555 0.145 Uiso 0.5 1 d G U P A -1
H89C H -0.002463 -0.053725 0.294693 0.145 Uiso 0.5 1 d G U P A -1
C83B C -0.0654(5) -0.0215(4) 0.4229(9) 0.085(8) Uiso 0.5 1 d G . P B -2
C84B C -0.0959(4) -0.0474(5) 0.4225(10) 0.072(7) Uiso 0.5 1 d G . P B -2
H84B H -0.119636 -0.038490 0.442210 0.086 Uiso 0.5 1 d G U P B -2
C85B C -0.0921(5) -0.0860(5) 0.3937(13) 0.067(7) Uiso 0.5 1 d G . P B -2
H85B H -0.113078 -0.104159 0.394235 0.080 Uiso 0.5 1 d G U P B -2
C86B C -0.0581(6) -0.0987(5) 0.3640(14) 0.141(19) Uiso 0.5 1 d G . P B -2
H86B H -0.055873 -0.125634 0.343168 0.169 Uiso 0.5 1 d G U P B -2
C87B C -0.0270(5) -0.0730(6) 0.3638(15) 0.126(13) Uiso 0.5 1 d G . P B -2
H87B H -0.003391 -0.081868 0.343592 0.151 Uiso 0.5 1 d G U P B -2
C88B C -0.0312(4) -0.0342(6) 0.3937(12) 0.098(9) Uiso 0.5 1 d G . P B -2
H88B H -0.010224 -0.015945 0.394156 0.117 Uiso 0.5 1 d G U P B -2
C89B C -0.0662(7) 0.0184(5) 0.4402(17) 0.178(19) Uiso 0.5 1 d G . P B -2
H89D H -0.090487 0.025390 0.460045 0.267 Uiso 0.5 1 d G U P B -2
H89E H -0.046944 0.024616 0.482473 0.267 Uiso 0.5 1 d G U P B -2
H89F H -0.061851 0.033317 0.390142 0.267 Uiso 0.5 1 d G U P B -2
C90 C -0.0487(3) 0.0493(3) 0.3310(7) 0.053(5) Uiso 0.5 1 d G . P C -3
C91 C -0.0454(4) 0.0535(5) 0.2452(7) 0.080(8) Uiso 0.5 1 d G . P C -3
H91 H -0.067490 0.053386 0.208901 0.097 Uiso 0.5 1 d G U P C -3
C92 C -0.0102(5) 0.0579(5) 0.2120(9) 0.099(10) Uiso 0.5 1 d G . P C -3
H92 H -0.008343 0.060700 0.153110 0.119 Uiso 0.5 1 d G U P C -3
C93 C 0.0221(4) 0.0582(5) 0.2642(13) 0.102(10) Uiso 0.5 1 d G . P C -3
H93 H 0.046097 0.061460 0.241318 0.122 Uiso 0.5 1 d G U P C -3
C94 C 0.0193(3) 0.0537(6) 0.3491(12) 0.101(10) Uiso 0.5 1 d G . P C -3
H94 H 0.041457 0.053496 0.384954 0.121 Uiso 0.5 1 d G U P C -3
C95 C -0.0158(4) 0.0496(6) 0.3827(8) 0.085(8) Uiso 0.5 1 d G . P C -3
H95 H -0.017420 0.046975 0.441692 0.102 Uiso 0.5 1 d G U P C -3
C96 C -0.0872(4) 0.0455(6) 0.3662(11) 0.073(7) Uiso 0.5 1 d G . P C -3
H96A H -0.084499 0.042747 0.427335 0.109 Uiso 0.5 1 d G U P C -3
H96B H -0.102149 0.069453 0.351826 0.109 Uiso 0.5 1 d G U P C -3
H96C H -0.099974 0.021692 0.342304 0.109 Uiso 0.5 1 d G U P C -3
C97 C 0.0195(3) 0.4449(3) 0.2152(8) 0.050(5) Uiso 0.5 1 d G . P D -4
C98 C 0.0118(4) 0.4051(3) 0.2334(11) 0.060(6) Uiso 0.5 1 d G . P D -4
H98 H 0.026971 0.384401 0.211675 0.072 Uiso 0.5 1 d G U P D -4
C99 C -0.0179(5) 0.3951(3) 0.2830(12) 0.051(5) Uiso 0.5 1 d G . P D -4
H99 H -0.022921 0.367734 0.294928 0.062 Uiso 0.5 1 d G U P D -4
C100 C -0.0402(3) 0.4249(4) 0.3151(8) 0.061(6) Uiso 0.5 1 d G . P D -4
H100 H -0.060328 0.418090 0.349469 0.073 Uiso 0.5 1 d G U P D -4
C101 C -0.0331(4) 0.4644(4) 0.2971(11) 0.068(7) Uiso 0.5 1 d G . P D -4
H101 H -0.049014 0.484912 0.316759 0.081 Uiso 0.5 1 d G U P D -4
C102 C -0.0018(5) 0.4746(3) 0.2492(12) 0.058(4) Uiso 0.5 1 d G . P D -4
H102 H 0.004421 0.501946 0.240524 0.070 Uiso 0.5 1 d G U P D -4
C103 C 0.0523(4) 0.4551(5) 0.1629(11) 0.079(8) Uiso 0.5 1 d G . P D -4
H10A H 0.064167 0.430334 0.144014 0.118 Uiso 0.5 1 d G U P D -4
H10B H 0.043359 0.470884 0.113996 0.118 Uiso 0.5 1 d G U P D -4
H10C H 0.070891 0.470859 0.196557 0.118 Uiso 0.5 1 d G U P D -4
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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 '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
P4 Au1 P1 177.08(7) 7 .
P6 Au2 P3 177.75(7) 7 .
P2 Au3 P5 168.25(6) . .
C1 P1 C7 106.1(4) . .
C1 P1 C13 107.4(3) . .
C7 P1 C13 102.5(3) . .
C1 P1 Au1 114.7(3) . .
C7 P1 Au1 112.3(3) . .
C13 P1 Au1 112.9(2) . .
C15 P2 C21 104.3(3) . .
C15 P2 C14 104.3(3) . .
C21 P2 C14 103.5(3) . .
C15 P2 Au3 120.7(2) . .
C21 P2 Au3 111.9(2) . .
C14 P2 Au3 110.5(2) . .
C29 P3 C23 104.8(3) . .
C29 P3 C22 106.9(3) . .
C23 P3 C22 105.8(3) . .
C29 P3 Au2 112.2(2) . .
C23 P3 Au2 113.7(2) . .
C22 P3 Au2 112.8(2) . .
C35 P4 C47 107.3(4) . .
C35 P4 C41 106.9(4) . .
C47 P4 C41 103.5(3) . .
C35 P4 Au1 113.5(3) . 7
C47 P4 Au1 112.4(2) . 7
C41 P4 Au1 112.6(2) . 7
C49 P5 C48 106.1(3) . .
C49 P5 C55 103.0(3) . .
C48 P5 C55 103.8(3) . .
C49 P5 Au3 120.1(2) . .
C48 P5 Au3 112.9(2) . .
C55 P5 Au3 109.3(2) . .
C57 P6 C63 106.1(4) . .
C57 P6 C56 104.9(3) . .
C63 P6 C56 106.9(3) . .
C57 P6 Au2 112.3(3) . 7
C63 P6 Au2 113.3(3) . 7
C56 P6 Au2 112.8(2) . 7
F6 As1 F5 89.9(2) . .
F6 As1 F1 179.9(3) . .
F5 As1 F1 90.1(2) . .
F6 As1 F4 90.0(2) . .
F5 As1 F4 90.4(2) . .
F1 As1 F4 89.9(2) . .
F6 As1 F2 90.4(2) . .
F5 As1 F2 90.4(2) . .
F1 As1 F2 89.7(2) . .
F4 As1 F2 179.2(2) . .
F6 As1 F3 90.6(2) . .
F5 As1 F3 179.5(2) . .
F1 As1 F3 89.4(2) . .
F4 As1 F3 89.5(2) . .
F2 As1 F3 89.8(2) . .
F8 As2 F8 180.0 7_556 .
F8 As2 F9 90.8(3) 7_556 7_556
F8 As2 F9 89.2(3) . 7_556
F8 As2 F9 89.2(3) 7_556 .
F8 As2 F9 90.8(3) . .
F9 As2 F9 180.0 7_556 .
F8 As2 F7 90.8(3) 7_556 .
F8 As2 F7 89.2(3) . .
F9 As2 F7 90.2(3) 7_556 .
F9 As2 F7 89.8(3) . .
F8 As2 F7 89.2(3) 7_556 7_556
F8 As2 F7 90.8(3) . 7_556
F9 As2 F7 89.8(3) 7_556 7_556
F9 As2 F7 90.2(3) . 7_556
F7 As2 F7 180.0 . 7_556
F11 As3 F12 91.2(2) . .
F11 As3 F10 90.7(2) . .
F12 As3 F10 89.8(2) . .
F11 As3 F15 89.7(2) . .
F12 As3 F15 90.1(2) . .
F10 As3 F15 179.5(3) . .
F11 As3 F14 90.9(2) . .
F12 As3 F14 177.9(2) . .
F10 As3 F14 89.9(2) . .
F15 As3 F14 90.1(2) . .
F11 As3 F13 179.5(2) . .
F12 As3 F13 88.7(2) . .
F10 As3 F13 89.8(2) . .
F15 As3 F13 89.7(2) . .
F14 As3 F13 89.3(2) . .
C2 C1 C6 118.7(8) . .
C2 C1 P1 124.0(6) . .
C6 C1 P1 117.2(6) . .
C1 C2 C3 121.5(8) . .
C1 C2 H2 119.3 . .
C3 C2 H2 119.3 . .
C4 C3 C2 119.3(8) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C3 C4 C5 120.2(9) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 119.3(11) . .
C6 C5 H5 120.3 . .
C4 C5 H5 120.3 . .
C1 C6 C5 120.6(10) . .
C1 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
C12 C7 C8 119.2(8) . .
C12 C7 P1 120.0(6) . .
C8 C7 P1 120.3(6) . .
C9 C8 C7 120.0(8) . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C10 C9 C8 120.7(8) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C9 C10 C11 119.9(8) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C10 C11 C12 119.9(8) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C7 C12 C11 120.3(8) . .
C7 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C14 C13 P1 109.1(5) . .
C14 C13 H13A 109.9 . .
P1 C13 H13A 109.9 . .
C14 C13 H13B 109.9 . .
P1 C13 H13B 109.9 . .
H13A C13 H13B 108.3 . .
C13 C14 P2 111.1(5) . .
C13 C14 H14A 109.4 . .
P2 C14 H14A 109.4 . .
C13 C14 H14B 109.4 . .
P2 C14 H14B 109.4 . .
H14A C14 H14B 108.0 . .
C16 C15 C20 119.1(7) . .
C16 C15 P2 120.6(6) . .
C20 C15 P2 120.2(5) . .
C17 C16 C15 119.7(8) . .
C17 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
C16 C17 C18 120.7(8) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
C19 C18 C17 120.2(7) . .
C19 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C18 C19 C20 118.4(8) . .
C18 C19 H19 120.8 . .
C20 C19 H19 120.8 . .
C19 C20 C15 121.8(7) . .
C19 C20 H20 119.1 . .
C15 C20 H20 119.1 . .
C22 C21 P2 111.1(5) . .
C22 C21 H21A 109.4 . .
P2 C21 H21A 109.4 . .
C22 C21 H21B 109.4 . .
P2 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
C21 C22 P3 111.1(5) . .
C21 C22 H22A 109.4 . .
P3 C22 H22A 109.4 . .
C21 C22 H22B 109.4 . .
P3 C22 H22B 109.4 . .
H22A C22 H22B 108.0 . .
C28 C23 C24 118.6(7) . .
C28 C23 P3 120.8(6) . .
C24 C23 P3 120.5(6) . .
C25 C24 C23 120.9(8) . .
C25 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
C24 C25 C26 120.1(9) . .
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
C27 C26 C25 120.4(9) . .
C27 C26 H26 119.8 . .
C25 C26 H26 119.8 . .
C26 C27 C28 119.6(9) . .
C26 C27 H27 120.2 . .
C28 C27 H27 120.2 . .
C23 C28 C27 120.4(8) . .
C23 C28 H28A 119.8 . .
C27 C28 H28A 119.8 . .
C34 C29 C30 119.3(7) . .
C34 C29 P3 123.4(6) . .
C30 C29 P3 117.3(6) . .
C31 C30 C29 120.5(7) . .
C31 C30 H30 119.8 . .
C29 C30 H30 119.8 . .
C30 C31 C32 120.0(8) . .
C30 C31 H31 120.0 . .
C32 C31 H31 120.0 . .
C33 C32 C31 119.5(8) . .
C33 C32 H32A 120.3 . .
C31 C32 H32A 120.3 . .
C32 C33 C34 120.7(8) . .
C32 C33 H33 119.6 . .
C34 C33 H33 119.6 . .
C33 C34 C29 119.9(7) . .
C33 C34 H34 120.0 . .
C29 C34 H34 120.0 . .
C40 C35 C36 120.2(7) . .
C40 C35 P4 117.8(6) . .
C36 C35 P4 122.0(6) . .
C37 C36 C35 120.5(8) . .
C37 C36 H36 119.8 . .
C35 C36 H36 119.8 . .
C36 C37 C38 120.5(8) . .
C36 C37 H37 119.8 . .
C38 C37 H37 119.8 . .
C37 C38 C39 119.5(8) . .
C37 C38 H38 120.3 . .
C39 C38 H38 120.3 . .
C38 C39 C40 119.9(8) . .
C38 C39 H39 120.0 . .
C40 C39 H39 120.0 . .
C35 C40 C39 119.4(8) . .
C35 C40 H40 120.3 . .
C39 C40 H40 120.3 . .
C46 C41 C42 119.2(8) . .
C46 C41 P4 120.2(6) . .
C42 C41 P4 120.3(7) . .
C41 C42 C43 119.7(9) . .
C41 C42 H42 120.2 . .
C43 C42 H42 120.2 . .
C44 C43 C42 120.8(8) . .
C44 C43 H43 119.6 . .
C42 C43 H43 119.6 . .
C43 C44 C45 119.8(9) . .
C43 C44 H44 120.1 . .
C45 C44 H44 120.1 . .
C44 C45 C46 119.8(9) . .
C44 C45 H45 120.1 . .
C46 C45 H45 120.1 . .
C41 C46 C45 120.8(8) . .
C41 C46 H46 119.6 . .
C45 C46 H46 119.6 . .
C48 C47 P4 111.2(5) . .
C48 C47 H47A 109.4 . .
P4 C47 H47A 109.4 . .
C48 C47 H47B 109.4 . .
P4 C47 H47B 109.4 . .
H47A C47 H47B 108.0 . .
C47 C48 P5 111.1(5) . .
C47 C48 H48A 109.4 . .
P5 C48 H48A 109.4 . .
C47 C48 H48B 109.4 . .
P5 C48 H48B 109.4 . .
H48A C48 H48B 108.0 . .
C54 C49 C50 119.0(7) . .
C54 C49 P5 119.1(6) . .
C50 C49 P5 121.6(5) . .
C51 C50 C49 120.7(7) . .
C51 C50 H50 119.7 . .
C49 C50 H50 119.7 . .
C50 C51 C52 119.5(8) . .
C50 C51 H51 120.2 . .
C52 C51 H51 120.2 . .
C53 C52 C51 120.5(8) . .
C53 C52 H52 119.7 . .
C51 C52 H52 119.7 . .
C52 C53 C54 120.2(8) . .
C52 C53 H53 119.9 . .
C54 C53 H53 119.9 . .
C49 C54 C53 119.9(7) . .
C49 C54 H54 120.0 . .
C53 C54 H54 120.0 . .
C56 C55 P5 111.0(5) . .
C56 C55 H55A 109.4 . .
P5 C55 H55A 109.4 . .
C56 C55 H55B 109.4 . .
P5 C55 H55B 109.4 . .
H55A C55 H55B 108.0 . .
C55 C56 P6 110.0(5) . .
C55 C56 H56A 109.7 . .
P6 C56 H56A 109.7 . .
C55 C56 H56B 109.7 . .
P6 C56 H56B 109.7 . .
H56A C56 H56B 108.2 . .
C62 C57 C58 119.8(8) . .
C62 C57 P6 119.4(6) . .
C58 C57 P6 120.8(7) . .
C59 C58 C57 119.6(9) . .
C59 C58 H58 120.2 . .
C57 C58 H58 120.2 . .
C60 C59 C58 120.7(9) . .
C60 C59 H59 119.7 . .
C58 C59 H59 119.7 . .
C59 C60 C61 120.6(9) . .
C59 C60 H60 119.7 . .
C61 C60 H60 119.7 . .
C60 C61 C62 118.8(10) . .
C60 C61 H61 120.6 . .
C62 C61 H61 120.6 . .
C57 C62 C61 120.4(9) . .
C57 C62 H62 119.8 . .
C61 C62 H62 119.8 . .
C68 C63 C64 119.3(7) . .
C68 C63 P6 123.0(6) . .
C64 C63 P6 117.7(6) . .
C65 C64 C63 120.5(8) . .
C65 C64 H64 119.7 . .
C63 C64 H64 119.7 . .
C66 C65 C64 119.8(8) . .
C66 C65 H65 120.1 . .
C64 C65 H65 120.1 . .
C65 C66 C67 120.0(8) . .
C65 C66 H66A 120.0 . .
C67 C66 H66A 120.0 . .
C66 C67 C68 120.1(7) . .
C66 C67 H67 120.0 . .
C68 C67 H67 120.0 . .
C63 C68 C67 120.3(7) . .
C63 C68 H68 119.9 . .
C67 C68 H68 119.9 . .
C70 C69 C74 118.3 . .
C70 C69 C75 119.9 . .
C74 C69 C75 121.8 . .
C69 C70 C71 120.6 . .
C69 C70 H70 119.7 . .
C71 C70 H70 119.7 . .
C72 C71 C70 120.2 . .
C72 C71 H71 119.9 . .
C70 C71 H71 119.9 . .
C73 C72 C71 119.8 . .
C73 C72 H72 120.1 . .
C71 C72 H72 120.1 . .
C72 C73 C74 120.2 . .
C72 C73 H73 119.9 . .
C74 C73 H73 119.9 . .
C73 C74 C69 120.8 . .
C73 C74 H74 119.6 . .
C69 C74 H74 119.6 . .
C69 C75 H75A 109.5 . .
C69 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C69 C75 H75C 109.4 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C77 C76 C81 118.3 . .
C77 C76 C82 119.8 . .
C81 C76 C82 121.8 . .
C76 C77 C78 120.6 . .
C76 C77 H77 119.7 . .
C78 C77 H77 119.7 . .
C79 C78 C77 120.2 . .
C79 C78 H78 119.9 . .
C77 C78 H78 119.9 . .
C80 C79 C78 119.8 . .
C80 C79 H79 120.1 . .
C78 C79 H79 120.1 . .
C79 C80 C81 120.2 . .
C79 C80 H80 119.9 . .
C81 C80 H80 119.9 . .
C80 C81 C76 120.8 . .
C80 C81 H81 119.6 . .
C76 C81 H81 119.6 . .
C76 C82 H82A 109.5 . .
C76 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C76 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C84A C83A C88A 118.3 . .
C84A C83A C89A 119.1 . .
C88A C83A C89A 122.5 . .
C83A C84A C85A 120.6 . .
C83A C84A H84A 119.7 . .
C85A C84A H84A 119.7 . .
C86A C85A C84A 120.3 . .
C86A C85A H85A 119.9 . .
C84A C85A H85A 119.8 . .
C87A C86A C85A 119.7 . .
C87A C86A H86A 120.1 . .
C85A C86A H86A 120.1 . .
C86A C87A C88A 120.3 . .
C86A C87A H87A 119.8 . .
C88A C87A H87A 119.9 . .
C87A C88A C83A 120.8 . .
C87A C88A H88A 119.6 . .
C83A C88A H88A 119.6 . .
C83A C89A H89A 109.5 . .
C83A C89A H89B 109.5 . .
H89A C89A H89B 109.5 . .
C83A C89A H89C 109.5 . .
H89A C89A H89C 109.5 . .
H89B C89A H89C 109.5 . .
C89B C83B C84B 126.0 . .
C89B C83B C88B 113.2 . .
C84B C83B C88B 120.3 . .
C85B C84B C83B 119.7 . .
C85B C84B H84B 120.2 . .
C83B C84B H84B 120.1 . .
C84B C85B C86B 120.3 . .
C84B C85B H85B 119.8 . .
C86B C85B H85B 119.8 . .
C85B C86B C87B 120.8 . .
C85B C86B H86B 119.6 . .
C87B C86B H86B 119.6 . .
C88B C87B C86B 118.3 . .
C88B C87B H87B 120.9 . .
C86B C87B H87B 120.9 . .
C87B C88B C83B 120.6 . .
C87B C88B H88B 119.7 . .
C83B C88B H88B 119.7 . .
C83B C89B H89D 109.5 . .
C83B C89B H89E 109.5 . .
H89D C89B H89E 109.5 . .
C83B C89B H89F 109.5 . .
H89D C89B H89F 109.5 . .
H89E C89B H89F 109.5 . .
C91 C90 C95 118.3 . .
C91 C90 C96 119.9 . .
C95 C90 C96 121.8 . .
C90 C91 C92 120.6 . .
C90 C91 H91 119.7 . .
C92 C91 H91 119.7 . .
C93 C92 C91 120.3 . .
C93 C92 H92 119.9 . .
C91 C92 H92 119.9 . .
C94 C93 C92 119.7 . .
C94 C93 H93 120.1 . .
C92 C93 H93 120.1 . .
C93 C94 C95 120.3 . .
C93 C94 H94 119.9 . .
C95 C94 H94 119.9 . .
C94 C95 C90 120.8 . .
C94 C95 H95 119.6 . .
C90 C95 H95 119.6 . .
C90 C96 H96A 109.5 . .
C90 C96 H96B 109.5 . .
H96A C96 H96B 109.4 . .
C90 C96 H96C 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
C102 C97 C98 119.3 . .
C102 C97 C103 120.7 . .
C98 C97 C103 119.9 . .
C97 C98 C99 120.7 . .
C97 C98 H98 119.7 . .
C99 C98 H98 119.6 . .
C100 C99 C98 120.2 . .
C100 C99 H99 119.9 . .
C98 C99 H99 119.9 . .
C101 C100 C99 119.8 . .
C101 C100 H100 120.1 . .
C99 C100 H100 120.1 . .
C100 C101 C102 119.9 . .
C100 C101 H101 120.1 . .
C102 C101 H101 120.1 . .
C97 C102 C101 120.1 . .
C97 C102 H102 120.0 . .
C101 C102 H102 120.0 . .
C97 C103 H10A 109.5 . .
C97 C103 H10B 109.5 . .
H10A C103 H10B 109.5 . .
C97 C103 H10C 109.5 . .
H10A C103 H10C 109.4 . .
H10B C103 H10C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P4 2.3128(19) 7
Au1 P1 2.3134(19) .
Au2 P6 2.3070(18) 7
Au2 P3 2.3104(18) .
Au3 P2 2.3019(19) .
Au3 P5 2.3057(19) .
P1 C1 1.808(8) .
P1 C7 1.811(8) .
P1 C13 1.840(7) .
P2 C15 1.812(7) .
P2 C21 1.821(7) .
P2 C14 1.830(7) .
P3 C29 1.810(7) .
P3 C23 1.815(8) .
P3 C22 1.825(7) .
P4 C35 1.803(8) .
P4 C47 1.826(7) .
P4 C41 1.827(8) .
P5 C49 1.809(7) .
P5 C48 1.818(7) .
P5 C55 1.820(7) .
P6 C57 1.809(8) .
P6 C63 1.810(8) .
P6 C56 1.830(7) .
As1 F6 1.709(4) .
As1 F5 1.726(4) .
As1 F1 1.728(4) .
As1 F4 1.729(5) .
As1 F2 1.732(4) .
As1 F3 1.733(4) .
As2 F8 1.704(5) 7_556
As2 F8 1.704(5) .
As2 F9 1.716(5) 7_556
As2 F9 1.716(5) .
As2 F7 1.722(5) .
As2 F7 1.722(5) 7_556
As3 F11 1.715(5) .
As3 F12 1.720(4) .
As3 F10 1.722(5) .
As3 F15 1.726(5) .
As3 F14 1.727(4) .
As3 F13 1.732(5) .
C1 C2 1.377(11) .
C1 C6 1.378(12) .
C2 C3 1.378(11) .
C2 H2 0.9500 .
C3 C4 1.373(13) .
C3 H3 0.9500 .
C4 C5 1.386(15) .
C4 H4 0.9500 .
C5 C6 1.383(14) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C12 1.384(11) .
C7 C8 1.409(10) .
C8 C9 1.384(12) .
C8 H8 0.9500 .
C9 C10 1.383(13) .
C9 H9 0.9500 .
C10 C11 1.388(12) .
C10 H10 0.9500 .
C11 C12 1.403(11) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.534(9) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.385(10) .
C15 C20 1.391(10) .
C16 C17 1.381(11) .
C16 H16 0.9500 .
C17 C18 1.393(12) .
C17 H17 0.9500 .
C18 C19 1.382(11) .
C18 H18 0.9500 .
C19 C20 1.388(11) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.532(9) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C28 1.378(11) .
C23 C24 1.395(11) .
C24 C25 1.373(12) .
C24 H24 0.9500 .
C25 C26 1.380(13) .
C25 H25 0.9500 .
C26 C27 1.364(13) .
C26 H26 0.9500 .
C27 C28 1.410(12) .
C27 H27 0.9500 .
C28 H28A 0.9500 .
C29 C34 1.386(10) .
C29 C30 1.397(10) .
C30 C31 1.374(11) .
C30 H30 0.9500 .
C31 C32 1.397(12) .
C31 H31 0.9500 .
C32 C33 1.378(12) .
C32 H32A 0.9500 .
C33 C34 1.385(11) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 C40 1.361(11) .
C35 C36 1.402(11) .
C36 C37 1.374(11) .
C36 H36 0.9500 .
C37 C38 1.376(12) .
C37 H37 0.9500 .
C38 C39 1.400(14) .
C38 H38 0.9500 .
C39 C40 1.415(13) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C46 1.381(11) .
C41 C42 1.389(11) .
C42 C43 1.394(13) .
C42 H42 0.9500 .
C43 C44 1.371(14) .
C43 H43 0.9500 .
C44 C45 1.379(12) .
C44 H44 0.9500 .
C45 C46 1.392(12) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C48 1.540(9) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C54 1.391(10) .
C49 C50 1.397(10) .
C50 C51 1.385(11) .
C50 H50 0.9500 .
C51 C52 1.388(12) .
C51 H51 0.9500 .
C52 C53 1.370(12) .
C52 H52 0.9500 .
C53 C54 1.398(11) .
C53 H53 0.9500 .
C54 H54 0.9500 .
C55 C56 1.543(9) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 C62 1.379(12) .
C57 C58 1.401(11) .
C58 C59 1.375(13) .
C58 H58 0.9500 .
C59 C60 1.375(15) .
C59 H59 0.9500 .
C60 C61 1.391(15) .
C60 H60 0.9500 .
C61 C62 1.399(12) .
C61 H61 0.9500 .
C62 H62 0.9500 .
C63 C68 1.383(10) .
C63 C64 1.395(11) .
C64 C65 1.395(12) .
C64 H64 0.9500 .
C65 C66 1.382(12) .
C65 H65 0.9500 .
C66 C67 1.389(12) .
C66 H66A 0.9500 .
C67 C68 1.397(10) .
C67 H67 0.9500 .
C68 H68 0.9500 .
C69 C70 1.3873 .
C69 C74 1.3966 .
C69 C75 1.5071 .
C70 C71 1.3878 .
C70 H70 0.9500 .
C71 C72 1.3827 .
C71 H71 0.9500 .
C72 C73 1.3731 .
C72 H72 0.9501 .
C73 C74 1.3836 .
C73 H73 0.9499 .
C74 H74 0.9504 .
C75 H75A 0.9799 .
C75 H75B 0.9796 .
C75 H75C 0.9804 .
C76 C77 1.3870 .
C76 C81 1.3962 .
C76 C82 1.5071 .
C77 C78 1.3885 .
C77 H77 0.9497 .
C78 C79 1.3825 .
C78 H78 0.9500 .
C79 C80 1.3726 .
C79 H79 0.9498 .
C80 C81 1.3841 .
C80 H80 0.9507 .
C81 H81 0.9497 .
C82 H82A 0.9803 .
C82 H82B 0.9799 .
C82 H82C 0.9801 .
C83A C84A 1.3871 .
C83A C88A 1.3961 .
C83A C89A 1.5473 .
C84A C85A 1.3880 .
C84A H84A 0.9499 .
C85A C86A 1.3818 .
C85A H85A 0.9501 .
C86A C87A 1.3720 .
C86A H86A 0.9505 .
C87A C88A 1.3833 .
C87A H87A 0.9501 .
C88A H88A 0.9601 .
C89A H89A 0.9603 .
C89A H89B 0.9600 .
C89A H89C 0.9599 .
C83B C89B 1.3557 .
C83B C84B 1.3830 .
C83B C88B 1.3877 .
C84B C85B 1.3721 .
C84B H84B 0.9598 .
C85B C86B 1.3830 .
C85B H85B 0.9602 .
C86B C87B 1.3967 .
C86B H86B 0.9601 .
C87B C88B 1.3874 .
C87B H87B 0.9599 .
C88B H88B 0.9601 .
C89B H89D 0.9600 .
C89B H89E 0.9600 .
C89B H89F 0.9601 .
C90 C91 1.3871 .
C90 C95 1.3957 .
C90 C96 1.5064 .
C91 C92 1.3873 .
C91 H91 0.9501 .
C92 C93 1.3821 .
C92 H92 0.9501 .
C93 C94 1.3720 .
C93 H93 0.9500 .
C94 C95 1.3841 .
C94 H94 0.9500 .
C95 H95 0.9501 .
C96 H96A 0.9799 .
C96 H96B 0.9800 .
C96 H96C 0.9796 .
C97 C102 1.3713 .
C97 C98 1.3862 .
C97 C103 1.5065 .
C98 C99 1.3878 .
C98 H98 0.9503 .
C99 C100 1.3823 .
C99 H99 0.9500 .
C100 C101 1.3721 .
C100 H100 0.9500 .
C101 C102 1.4190 .
C101 H101 0.9499 .
C102 H102 0.9498 .
C103 H10A 0.9804 .
C103 H10B 0.9799 .
C103 H10C 0.9801 .
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
C7 P1 C1 C2 93.2(8) .
C13 P1 C1 C2 -15.9(9) .
Au1 P1 C1 C2 -142.2(7) .
C7 P1 C1 C6 -83.7(10) .
C13 P1 C1 C6 167.2(9) .
Au1 P1 C1 C6 40.9(10) .
C6 C1 C2 C3 1.6(14) .
P1 C1 C2 C3 -175.3(7) .
C1 C2 C3 C4 -2.1(15) .
C2 C3 C4 C5 -2(2) .
C3 C4 C5 C6 6(2) .
C2 C1 C6 C5 3.0(19) .
P1 C1 C6 C5 -179.9(12) .
C4 C5 C6 C1 -7(2) .
C1 P1 C7 C12 143.7(6) .
C13 P1 C7 C12 -103.7(7) .
Au1 P1 C7 C12 17.7(7) .
C1 P1 C7 C8 -44.1(7) .
C13 P1 C7 C8 68.4(7) .
Au1 P1 C7 C8 -170.2(5) .
C12 C7 C8 C9 -0.6(12) .
P1 C7 C8 C9 -172.8(6) .
C7 C8 C9 C10 1.1(13) .
C8 C9 C10 C11 -0.5(14) .
C9 C10 C11 C12 -0.6(13) .
C8 C7 C12 C11 -0.5(12) .
P1 C7 C12 C11 171.8(6) .
C10 C11 C12 C7 1.1(13) .
C1 P1 C13 C14 -176.0(5) .
C7 P1 C13 C14 72.4(5) .
Au1 P1 C13 C14 -48.6(5) .
P1 C13 C14 P2 -156.9(4) .
C15 P2 C14 C13 64.5(6) .
C21 P2 C14 C13 173.4(5) .
Au3 P2 C14 C13 -66.6(5) .
C21 P2 C15 C16 135.8(6) .
C14 P2 C15 C16 -116.0(6) .
Au3 P2 C15 C16 8.9(7) .
C21 P2 C15 C20 -46.8(7) .
C14 P2 C15 C20 61.4(7) .
Au3 P2 C15 C20 -173.7(5) .
C20 C15 C16 C17 -0.3(12) .
P2 C15 C16 C17 177.2(7) .
C15 C16 C17 C18 1.4(14) .
C16 C17 C18 C19 -1.6(15) .
C17 C18 C19 C20 0.6(14) .
C18 C19 C20 C15 0.5(13) .
C16 C15 C20 C19 -0.7(12) .
P2 C15 C20 C19 -178.1(7) .
C15 P2 C21 C22 -64.9(6) .
C14 P2 C21 C22 -173.8(5) .
Au3 P2 C21 C22 67.2(5) .
P2 C21 C22 P3 168.5(4) .
C29 P3 C22 C21 167.7(5) .
C23 P3 C22 C21 -81.0(6) .
Au2 P3 C22 C21 44.0(6) .
C29 P3 C23 C28 -112.9(7) .
C22 P3 C23 C28 134.3(7) .
Au2 P3 C23 C28 10.0(8) .
C29 P3 C23 C24 63.8(7) .
C22 P3 C23 C24 -49.0(7) .
Au2 P3 C23 C24 -173.3(6) .
C28 C23 C24 C25 0.8(14) .
P3 C23 C24 C25 -175.9(8) .
C23 C24 C25 C26 -0.3(16) .
C24 C25 C26 C27 -0.1(17) .
C25 C26 C27 C28 0.0(16) .
C24 C23 C28 C27 -0.9(13) .
P3 C23 C28 C27 175.8(7) .
C26 C27 C28 C23 0.5(15) .
C23 P3 C29 C34 -95.9(7) .
C22 P3 C29 C34 16.1(8) .
Au2 P3 C29 C34 140.2(6) .
C23 P3 C29 C30 83.1(7) .
C22 P3 C29 C30 -164.9(6) .
Au2 P3 C29 C30 -40.8(7) .
C34 C29 C30 C31 -1.0(13) .
P3 C29 C30 C31 -180.0(7) .
C29 C30 C31 C32 -0.6(15) .
C30 C31 C32 C33 0.5(16) .
C31 C32 C33 C34 1.2(15) .
C32 C33 C34 C29 -2.8(14) .
C30 C29 C34 C33 2.6(12) .
P3 C29 C34 C33 -178.4(6) .
C47 P4 C35 C40 161.4(7) .
C41 P4 C35 C40 -88.2(8) .
Au1 P4 C35 C40 36.5(8) 7
C47 P4 C35 C36 -16.5(8) .
C41 P4 C35 C36 94.0(8) .
Au1 P4 C35 C36 -141.3(6) 7
C40 C35 C36 C37 -1.0(14) .
P4 C35 C36 C37 176.8(7) .
C35 C36 C37 C38 1.4(15) .
C36 C37 C38 C39 -1.1(18) .
C37 C38 C39 C40 0(2) .
C36 C35 C40 C39 0.3(15) .
P4 C35 C40 C39 -177.6(9) .
C38 C39 C40 C35 0.1(19) .
C35 P4 C41 C46 148.1(6) .
C47 P4 C41 C46 -98.8(7) .
Au1 P4 C41 C46 22.8(7) 7
C35 P4 C41 C42 -38.6(8) .
C47 P4 C41 C42 74.5(7) .
Au1 P4 C41 C42 -163.8(6) 7
C46 C41 C42 C43 -1.7(13) .
P4 C41 C42 C43 -175.1(8) .
C41 C42 C43 C44 1.7(16) .
C42 C43 C44 C45 -0.9(16) .
C43 C44 C45 C46 0.1(15) .
C42 C41 C46 C45 0.8(12) .
P4 C41 C46 C45 174.3(6) .
C44 C45 C46 C41 0.0(13) .
C35 P4 C47 C48 -168.9(5) .
C41 P4 C47 C48 78.3(6) .
Au1 P4 C47 C48 -43.4(6) 7
P4 C47 C48 P5 -166.3(4) .
C49 P5 C48 C47 66.4(6) .
C55 P5 C48 C47 174.6(5) .
Au3 P5 C48 C47 -67.2(5) .
C48 P5 C49 C54 -152.0(6) .
C55 P5 C49 C54 99.2(6) .
Au3 P5 C49 C54 -22.5(7) .
C48 P5 C49 C50 34.1(7) .
C55 P5 C49 C50 -74.7(7) .
Au3 P5 C49 C50 163.7(5) .
C54 C49 C50 C51 -0.1(12) .
P5 C49 C50 C51 173.8(6) .
C49 C50 C51 C52 -2.3(13) .
C50 C51 C52 C53 2.1(14) .
C51 C52 C53 C54 0.7(14) .
C50 C49 C54 C53 2.8(11) .
P5 C49 C54 C53 -171.2(6) .
C52 C53 C54 C49 -3.1(13) .
C49 P5 C55 C56 -71.0(5) .
C48 P5 C55 C56 178.5(5) .
Au3 P5 C55 C56 57.7(5) .
P5 C55 C56 P6 160.2(4) .
C57 P6 C56 C55 -73.6(5) .
C63 P6 C56 C55 174.0(5) .
Au2 P6 C56 C55 48.9(5) 7
C63 P6 C57 C62 -115.6(7) .
C56 P6 C57 C62 131.5(7) .
Au2 P6 C57 C62 8.6(8) 7
C63 P6 C57 C58 62.1(7) .
C56 P6 C57 C58 -50.8(7) .
Au2 P6 C57 C58 -173.6(6) 7
C62 C57 C58 C59 -0.9(13) .
P6 C57 C58 C59 -178.6(7) .
C57 C58 C59 C60 1.5(15) .
C58 C59 C60 C61 -2.7(16) .
C59 C60 C61 C62 3.0(16) .
C58 C57 C62 C61 1.3(14) .
P6 C57 C62 C61 179.1(8) .
C60 C61 C62 C57 -2.3(16) .
C57 P6 C63 C68 -81.4(7) .
C56 P6 C63 C68 30.1(8) .
Au2 P6 C63 C68 155.0(6) 7
C57 P6 C63 C64 97.4(7) .
C56 P6 C63 C64 -151.1(7) .
Au2 P6 C63 C64 -26.2(8) 7
C68 C63 C64 C65 1.5(13) .
P6 C63 C64 C65 -177.3(8) .
C63 C64 C65 C66 -0.5(15) .
C64 C65 C66 C67 0.4(15) .
C65 C66 C67 C68 -1.5(14) .
C64 C63 C68 C67 -2.5(12) .
P6 C63 C68 C67 176.2(6) .
C66 C67 C68 C63 2.5(13) .
C74 C69 C70 C71 0.1 .
C75 C69 C70 C71 178.7 .
C69 C70 C71 C72 -0.2 .
C70 C71 C72 C73 0.7 .
C71 C72 C73 C74 -1.1 .
C72 C73 C74 C69 0.9 .
C70 C69 C74 C73 -0.4 .
C75 C69 C74 C73 -179.0 .
C81 C76 C77 C78 -0.1 .
C82 C76 C77 C78 178.7 .
C76 C77 C78 C79 -0.1 .
C77 C78 C79 C80 0.6 .
C78 C79 C80 C81 -1.0 .
C79 C80 C81 C76 0.9 .
C77 C76 C81 C80 -0.4 .
C82 C76 C81 C80 -179.1 .
C88A C83A C84A C85A 0.1 .
C89A C83A C84A C85A -175.5 .
C83A C84A C85A C86A -0.1 .
C84A C85A C86A C87A 0.6 .
C85A C86A C87A C88A -1.1 .
C86A C87A C88A C83A 1.0 .
C84A C83A C88A C87A -0.5 .
C89A C83A C88A C87A 174.9 .
C89B C83B C84B C85B 171.8 .
C88B C83B C84B C85B 0.6 .
C83B C84B C85B C86B -1.1 .
C84B C85B C86B C87B 1.0 .
C85B C86B C87B C88B -0.5 .
C86B C87B C88B C83B 0.1 .
C89B C83B C88B C87B -172.4 .
C84B C83B C88B C87B -0.1 .
C95 C90 C91 C92 0.0 .
C96 C90 C91 C92 178.7 .
C90 C91 C92 C93 -0.1 .
C91 C92 C93 C94 0.6 .
C92 C93 C94 C95 -1.0 .
C93 C94 C95 C90 1.0 .
C91 C90 C95 C94 -0.5 .
C96 C90 C95 C94 -179.1 .
C102 C97 C98 C99 2.2 .
C103 C97 C98 C99 178.7 .
C97 C98 C99 C100 -0.1 .
C98 C99 C100 C101 0.6 .
C99 C100 C101 C102 -3.1 .
C98 C97 C102 C101 -4.6 .
C103 C97 C102 C101 178.9 .
C100 C101 C102 C97 5.2 .
