#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:01:46 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179521 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/18/4341864.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_4341864
loop_
_publ_author_name
'Dau, Thuy Minh'
'Chen, Yi-An'
'Karttunen, Antti J.'
'Grachova, Elena V.'
'Tunik, Sergey P.'
'Lin, Ke-Ting'
'Hung, Wen-Yi'
'Chou, Pi-Tai'
'Pakkanen, Tapani A.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State
 Luminescence.
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              141201154356007
_journal_paper_doi               10.1021/ic501470v
_journal_year                    2014
_chemical_formula_moiety         'C80 H80 Au4 O2 P6, 2(Cl O4)'
_chemical_formula_sum            'C80 H80 Au4 Cl2 O10 P6'
_chemical_formula_weight         2246.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.1811(3)
_cell_length_b                   19.7386(2)
_cell_length_c                   22.4595(3)
_cell_measurement_reflns_used    9972
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      35.94
_cell_measurement_theta_min      3.42
_cell_volume                     8060.03(19)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.3.2g (Brandenburg, 2011)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device
'62mm x 62mm CCD camera on three-circle goniostat'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans'
_diffrn_radiation_monochromator  'flat graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            52124
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    7.499
_exptl_absorpt_correction_T_max  0.4199
_exptl_absorpt_correction_T_min  0.2459
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4320
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         3.050
_refine_diff_density_min         -1.285
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         10703
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0243
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0220P)²+12.7214P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0494
_refine_ls_wR_factor_ref         0.0534
_reflns_number_gt                8583
_reflns_number_total             10703
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501470v_si_002.cif
_cod_data_source_block           6
_cod_database_code               4341864
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
'x-1/2, y, -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
C1 C 0.05044(19) 0.00909(17) 0.88562(15) 0.0186(7) Uani 1 1 d .
C2 C 0.0826(2) -0.01491(17) 0.84371(15) 0.0195(7) Uani 1 1 d .
C3 C 0.1214(2) -0.04190(19) 0.79063(17) 0.0281(8) Uani 1 1 d .
C4 C 0.1484(3) 0.0169(2) 0.75185(19) 0.0383(10) Uani 1 1 d .
H4A H 0.1791 0.0477 0.7763 0.046 Uiso 1 1 calc R
H4B H 0.1795 -0.0012 0.7193 0.046 Uiso 1 1 calc R
C5 C 0.0845(3) 0.0566(3) 0.7253(2) 0.0540(14) Uani 1 1 d .
H5A H 0.0565 0.0787 0.7577 0.065 Uiso 1 1 calc R
H5B H 0.1039 0.0924 0.6988 0.065 Uiso 1 1 calc R
C6 C 0.0337(4) 0.0108(4) 0.6902(2) 0.0736(19) Uani 1 1 d .
H6A H 0.0601 -0.0070 0.6550 0.088 Uiso 1 1 calc R
H6B H -0.0090 0.0373 0.6759 0.088 Uiso 1 1 calc R
C7 C 0.0064(3) -0.0487(3) 0.7285(2) 0.0607(16) Uani 1 1 d .
H7A H -0.0253 -0.0312 0.7609 0.073 Uiso 1 1 calc R
H7B H -0.0236 -0.0795 0.7036 0.073 Uiso 1 1 calc R
C8 C 0.0699(3) -0.0878(2) 0.75515(19) 0.0443(12) Uani 1 1 d .
H8A H 0.0980 -0.1100 0.7228 0.053 Uiso 1 1 calc R
H8B H 0.0505 -0.1236 0.7816 0.053 Uiso 1 1 calc R
C9 C 0.09934(18) 0.17998(17) 1.14372(14) 0.0171(6) Uani 1 1 d .
C10 C 0.1610(2) 0.1469(2) 1.16655(17) 0.0289(8) Uani 1 1 d .
H10 H 0.1866 0.1148 1.1428 0.035 Uiso 1 1 calc R
C11 C 0.1852(3) 0.1609(2) 1.22393(19) 0.0398(11) Uani 1 1 d .
H11 H 0.2271 0.1382 1.2395 0.048 Uiso 1 1 calc R
C12 C 0.1482(3) 0.2078(2) 1.25825(18) 0.0395(11) Uani 1 1 d .
H12 H 0.1653 0.2179 1.2972 0.047 Uiso 1 1 calc R
C13 C 0.0867(2) 0.2402(2) 1.23654(17) 0.0324(9) Uani 1 1 d .
H13 H 0.0610 0.2717 1.2609 0.039 Uiso 1 1 calc R
C14 C 0.0619(2) 0.22699(19) 1.17883(15) 0.0228(7) Uani 1 1 d .
H14 H 0.0199 0.2498 1.1636 0.027 Uiso 1 1 calc R
C15 C 0.09250(17) 0.22782(16) 1.01900(14) 0.0148(6) Uani 1 1 d .
C16 C 0.0577(2) 0.29061(17) 1.02241(16) 0.0220(7) Uani 1 1 d .
H16 H 0.0223 0.2988 1.0527 0.026 Uiso 1 1 calc R
C17 C 0.0747(2) 0.34115(19) 0.98168(17) 0.0279(8) Uani 1 1 d .
H17 H 0.0505 0.3837 0.9839 0.034 Uiso 1 1 calc R
C18 C 0.1267(2) 0.3298(2) 0.93797(17) 0.0294(8) Uani 1 1 d .
H18 H 0.1382 0.3646 0.9102 0.035 Uiso 1 1 calc R
C19 C 0.1619(2) 0.2684(2) 0.93453(17) 0.0298(9) Uani 1 1 d .
H19 H 0.1980 0.2610 0.9047 0.036 Uiso 1 1 calc R
C20 C 0.1448(2) 0.21715(19) 0.97457(15) 0.0233(7) Uani 1 1 d .
H20 H 0.1689 0.1746 0.9717 0.028 Uiso 1 1 calc R
C21 C -0.09887(18) 0.20788(17) 0.96347(14) 0.0171(6) Uani 1 1 d .
C22 C -0.14393(19) 0.25708(17) 0.98897(15) 0.0201(7) Uani 1 1 d .
H22 H -0.1607 0.2516 1.0287 0.024 Uiso 1 1 calc R
C23 C -0.1643(2) 0.31372(18) 0.95678(16) 0.0243(7) Uani 1 1 d .
H23 H -0.1946 0.3474 0.9744 0.029 Uiso 1 1 calc R
C24 C -0.1402(2) 0.32103(19) 0.89842(17) 0.0289(8) Uani 1 1 d .
H24 H -0.1545 0.3597 0.8761 0.035 Uiso 1 1 calc R
C25 C -0.0957(2) 0.27265(19) 0.87263(16) 0.0285(8) Uani 1 1 d .
H25 H -0.0795 0.2782 0.8327 0.034 Uiso 1 1 calc R
C26 C -0.0746(2) 0.21590(18) 0.90489(15) 0.0216(7) Uani 1 1 d .
H26 H -0.0437 0.1827 0.8872 0.026 Uiso 1 1 calc R
C27 C 0.21331(18) -0.08079(17) 1.08929(14) 0.0163(6) Uani 1 1 d .
C28 C 0.25992(19) -0.13688(17) 1.08706(15) 0.0198(7) Uani 1 1 d .
H28 H 0.2835 -0.1490 1.0508 0.024 Uiso 1 1 calc R
C29 C 0.2715(2) -0.17471(19) 1.13806(16) 0.0262(8) Uani 1 1 d .
H29 H 0.3032 -0.2130 1.1369 0.031 Uiso 1 1 calc R
C30 C 0.2373(2) -0.1571(2) 1.19052(16) 0.0283(8) Uani 1 1 d .
H30 H 0.2455 -0.1833 1.2253 0.034 Uiso 1 1 calc R
C31 C 0.1912(2) -0.1018(2) 1.19301(16) 0.0295(9) Uani 1 1 d .
H31 H 0.1679 -0.0900 1.2294 0.035 Uiso 1 1 calc R
C32 C 0.17893(19) -0.06307(18) 1.14194(14) 0.0205(7) Uani 1 1 d .
H32 H 0.1472 -0.0249 1.1434 0.025 Uiso 1 1 calc R
C33 C 0.28228(18) -0.00568(16) 0.99246(14) 0.0160(6) Uani 1 1 d .
C34 C 0.34247(19) 0.00237(18) 1.02940(16) 0.0210(7) Uani 1 1 d .
H34 H 0.3394 -0.0111 1.0699 0.025 Uiso 1 1 calc R
C35 C 0.40716(19) 0.02992(19) 1.00767(17) 0.0248(8) Uani 1 1 d .
H35 H 0.4485 0.0349 1.0332 0.030 Uiso 1 1 calc R
C36 C 0.4115(2) 0.05011(19) 0.94888(17) 0.0279(8) Uani 1 1 d .
H36 H 0.4559 0.0690 0.9340 0.033 Uiso 1 1 calc R
C37 C 0.3515(2) 0.0429(2) 0.91162(18) 0.0338(10) Uani 1 1 d .
H37 H 0.3546 0.0570 0.8712 0.041 Uiso 1 1 calc R
C38 C 0.2864(2) 0.0149(2) 0.93344(16) 0.0265(8) Uani 1 1 d .
H38 H 0.2450 0.0099 0.9080 0.032 Uiso 1 1 calc R
C39 C -0.03025(17) 0.16000(16) 1.07350(14) 0.0142(6) Uani 1 1 d .
H39A H -0.0470 0.2065 1.0830 0.017 Uiso 1 1 calc R
H39B H -0.0460 0.1300 1.1064 0.017 Uiso 1 1 calc R
C40 C 0.16116(17) -0.09670(16) 0.96905(13) 0.0139(6) Uani 1 1 d .
H40A H 0.1980 -0.1333 0.9646 0.017 Uiso 1 1 calc R
H40B H 0.1538 -0.0753 0.9296 0.017 Uiso 1 1 calc R
O1 O 0.18564(16) -0.07838(15) 0.80903(14) 0.0394(7) Uani 1 1 d .
H1 H 0.1732 -0.1106 0.8313 0.059 Uiso 1 1 calc R
O2 O 0.82594(16) 0.21138(14) 0.13893(12) 0.0309(6) Uani 1 1 d .
O3 O 0.78660(15) 0.32018(15) 0.16713(12) 0.0348(7) Uani 1 1 d .
O4 O 0.90621(15) 0.30443(14) 0.12929(12) 0.0313(6) Uani 1 1 d .
O5 O 0.87660(19) 0.26272(17) 0.22421(12) 0.0446(8) Uani 1 1 d .
P1 P 0.06941(4) 0.15924(4) 1.06893(4) 0.01344(16) Uani 1 1 d .
P2 P -0.07422(4) 0.13222(4) 1.00458(3) 0.01315(16) Uani 1 1 d .
P3 P 0.19469(4) -0.03390(4) 1.02193(4) 0.01354(15) Uani 1 1 d .
Cl1 Cl 0.84873(5) 0.27532(5) 0.16557(4) 0.02545(18) Uani 1 1 d .
Au1 Au 0.117942(6) 0.056907(6) 1.038365(5) 0.01543(3) Uani 1 1 d .
Au2 Au -0.005970(6) 0.059642(6) 0.947494(5) 0.01436(3) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
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
C2 C1 Au2 172.0(3) . .
C1 C2 C3 177.6(4) . .
O1 C3 C2 109.6(3) . .
O1 C3 C8 110.6(3) . .
C2 C3 C8 110.0(3) . .
O1 C3 C4 106.4(3) . .
C2 C3 C4 109.7(3) . .
C8 C3 C4 110.4(4) . .
C5 C4 C3 111.6(4) . .
C5 C4 H4A 109.3 . .
C3 C4 H4A 109.3 . .
C5 C4 H4B 109.3 . .
C3 C4 H4B 109.3 . .
H4A C4 H4B 108.0 . .
C6 C5 C4 111.3(5) . .
C6 C5 H5A 109.4 . .
C4 C5 H5A 109.4 . .
C6 C5 H5B 109.4 . .
C4 C5 H5B 109.4 . .
H5A C5 H5B 108.0 . .
C5 C6 C7 111.2(4) . .
C5 C6 H6A 109.4 . .
C7 C6 H6A 109.4 . .
C5 C6 H6B 109.4 . .
C7 C6 H6B 109.4 . .
H6A C6 H6B 108.0 . .
C8 C7 C6 111.3(5) . .
C8 C7 H7A 109.4 . .
C6 C7 H7A 109.4 . .
C8 C7 H7B 109.4 . .
C6 C7 H7B 109.4 . .
H7A C7 H7B 108.0 . .
C7 C8 C3 111.9(4) . .
C7 C8 H8A 109.2 . .
C3 C8 H8A 109.2 . .
C7 C8 H8B 109.2 . .
C3 C8 H8B 109.2 . .
H8A C8 H8B 107.9 . .
C14 C9 C10 119.7(3) . .
C14 C9 P1 121.9(3) . .
C10 C9 P1 118.4(3) . .
C11 C10 C9 120.2(4) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C12 C11 C10 119.8(4) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
C13 C12 C11 120.7(4) . .
C13 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C12 C13 C14 120.2(4) . .
C12 C13 H13 119.9 . .
C14 C13 H13 119.9 . .
C9 C14 C13 119.5(4) . .
C9 C14 H14 120.3 . .
C13 C14 H14 120.3 . .
C16 C15 C20 118.9(3) . .
C16 C15 P1 121.8(3) . .
C20 C15 P1 119.3(3) . .
C17 C16 C15 120.1(3) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C18 C17 C16 120.3(4) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C19 C18 C17 120.1(3) . .
C19 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C18 C19 C20 120.2(4) . .
C18 C19 H19 119.9 . .
C20 C19 H19 119.9 . .
C19 C20 C15 120.4(3) . .
C19 C20 H20 119.8 . .
C15 C20 H20 119.8 . .
C22 C21 C26 119.6(3) . .
C22 C21 P2 120.7(2) . .
C26 C21 P2 119.7(3) . .
C23 C22 C21 120.4(3) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C22 C23 C24 119.5(3) . .
C22 C23 H23 120.2 . .
C24 C23 H23 120.2 . .
C25 C24 C23 120.6(3) . .
C25 C24 H24 119.7 . .
C23 C24 H24 119.7 . .
C24 C25 C26 120.1(3) . .
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
C25 C26 C21 119.7(3) . .
C25 C26 H26 120.2 . .
C21 C26 H26 120.2 . .
C32 C27 C28 120.4(3) . .
C32 C27 P3 120.1(3) . .
C28 C27 P3 119.4(2) . .
C29 C28 C27 119.4(3) . .
C29 C28 H28 120.3 . .
C27 C28 H28 120.3 . .
C30 C29 C28 120.2(3) . .
C30 C29 H29 119.9 . .
C28 C29 H29 119.9 . .
C29 C30 C31 120.7(3) . .
C29 C30 H30 119.7 . .
C31 C30 H30 119.7 . .
C30 C31 C32 119.9(3) . .
C30 C31 H31 120.1 . .
C32 C31 H31 120.1 . .
C27 C32 C31 119.5(3) . .
C27 C32 H32 120.3 . .
C31 C32 H32 120.3 . .
C34 C33 C38 119.8(3) . .
C34 C33 P3 120.8(3) . .
C38 C33 P3 119.1(3) . .
C33 C34 C35 120.4(3) . .
C33 C34 H34 119.8 . .
C35 C34 H34 119.8 . .
C36 C35 C34 119.9(3) . .
C36 C35 H35 120.0 . .
C34 C35 H35 120.0 . .
C35 C36 C37 120.2(3) . .
C35 C36 H36 119.9 . .
C37 C36 H36 119.9 . .
C36 C37 C38 119.9(4) . .
C36 C37 H37 120.1 . .
C38 C37 H37 120.1 . .
C33 C38 C37 119.8(3) . .
C33 C38 H38 120.1 . .
C37 C38 H38 120.1 . .
P1 C39 P2 112.74(17) . .
P1 C39 H39A 109.0 . .
P2 C39 H39A 109.0 . .
P1 C39 H39B 109.0 . .
P2 C39 H39B 109.0 . .
H39A C39 H39B 107.8 . .
P3 C40 P2 109.82(16) . 5_557
P3 C40 H40A 109.7 . .
P2 C40 H40A 109.7 5_557 .
P3 C40 H40B 109.7 . .
P2 C40 H40B 109.7 5_557 .
H40A C40 H40B 108.2 . .
C3 O1 H1 109.5 . .
C15 P1 C9 109.63(15) . .
C15 P1 C39 105.12(15) . .
C9 P1 C39 104.21(15) . .
C15 P1 Au1 112.46(11) . .
C9 P1 Au1 111.00(11) . .
C39 P1 Au1 113.93(11) . .
C21 P2 C39 107.02(15) . .
C21 P2 C40 105.51(15) . 5_557
C39 P2 C40 102.65(14) . 5_557
C21 P2 Au2 111.39(11) . .
C39 P2 Au2 115.18(11) . .
C40 P2 Au2 114.23(11) 5_557 .
C27 P3 C33 107.38(15) . .
C27 P3 C40 105.08(15) . .
C33 P3 C40 105.37(15) . .
C27 P3 Au1 112.24(11) . .
C33 P3 Au1 110.61(11) . .
C40 P3 Au1 115.58(11) . .
O5 Cl1 O3 111.27(17) . .
O5 Cl1 O4 109.37(19) . .
O3 Cl1 O4 109.74(17) . .
O5 Cl1 O2 109.13(18) . .
O3 Cl1 O2 108.69(18) . .
O4 Cl1 O2 108.59(16) . .
P3 Au1 P1 163.93(3) . .
P3 Au1 Au2 110.82(2) . .
P1 Au1 Au2 84.31(2) . .
P3 Au1 Au2 80.56(2) . 5_557
P1 Au1 Au2 111.67(2) . 5_557
Au2 Au1 Au2 66.034(4) . 5_557
C1 Au2 P2 169.23(10) . .
C1 Au2 Au1 94.46(10) . .
P2 Au2 Au1 92.11(2) . .
C1 Au2 Au1 92.17(10) . 5_557
P2 Au2 Au1 92.94(2) . 5_557
Au1 Au2 Au1 113.967(5) . 5_557
C1 Au2 Au2 96.08(9) . 5_557
P2 Au2 Au2 94.64(2) . 5_557
Au1 Au2 Au2 57.674(4) . 5_557
Au1 Au2 Au2 56.293(4) 5_557 5_557
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.205(5) .
C1 Au2 1.995(3) .
C2 C3 1.484(5) .
C3 O1 1.434(5) .
C3 C8 1.526(6) .
C3 C4 1.532(5) .
C4 C5 1.523(7) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.514(8) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.538(8) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.513(7) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C14 1.395(5) .
C9 C10 1.396(5) .
C9 P1 1.813(3) .
C10 C11 1.389(5) .
C10 H10 0.9500 .
C11 C12 1.381(7) .
C11 H11 0.9500 .
C12 C13 1.377(6) .
C12 H12 0.9500 .
C13 C14 1.397(5) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C16 1.393(5) .
C15 C20 1.394(5) .
C15 P1 1.807(3) .
C16 C17 1.388(5) .
C16 H16 0.9500 .
C17 C18 1.382(6) .
C17 H17 0.9500 .
C18 C19 1.372(6) .
C18 H18 0.9500 .
C19 C20 1.389(5) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.394(5) .
C21 C26 1.397(5) .
C21 P2 1.812(3) .
C22 C23 1.382(5) .
C22 H22 0.9500 .
C23 C24 1.390(5) .
C23 H23 0.9500 .
C24 C25 1.379(5) .
C24 H24 0.9500 .
C25 C26 1.388(5) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C32 1.382(4) .
C27 C28 1.395(5) .
C27 P3 1.806(3) .
C28 C29 1.383(5) .
C28 H28 0.9500 .
C29 C30 1.377(5) .
C29 H29 0.9500 .
C30 C31 1.377(5) .
C30 H30 0.9500 .
C31 C32 1.396(5) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C34 1.382(5) .
C33 C38 1.388(5) .
C33 P3 1.812(3) .
C34 C35 1.385(5) .
C34 H34 0.9500 .
C35 C36 1.381(5) .
C35 H35 0.9500 .
C36 C37 1.383(6) .
C36 H36 0.9500 .
C37 C38 1.395(5) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 P1 1.815(3) .
C39 P2 1.826(3) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 P3 1.822(3) .
C40 P2 1.828(3) 5_557
C40 H40A 0.9900 .
C40 H40B 0.9900 .
O1 H1 0.8400 .
O2 Cl1 1.457(3) .
O3 Cl1 1.436(3) .
O4 Cl1 1.444(3) .
O5 Cl1 1.433(3) .
P1 Au1 2.3086(8) .
P2 C40 1.828(3) 5_557
P2 Au2 2.2882(8) .
P3 Au1 2.3012(8) .
Au1 Au2 3.04034(17) .
Au1 Au2 3.08838(17) 5_557
Au2 Au1 3.08827(17) 5_557
Au2 Au2 3.3397(2) 5_557
