#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/61/4306159.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_4306159
loop_
_publ_author_name
'Igor O. Koshevoy'
'Antti J. Karttunen'
'Sergey P. Tunik'
'Matti Haukka'
'Stanislav I. Selivanov'
'Alexei S. Melnikov'
'Pavel Yu. Serdobintsev'
'Mikhail A. Khodorkovskiy'
'Tapani A. Pakkanen'
_publ_section_title
;
Supramolecular Luminescent Gold(I)-Copper(I) Complexes: Self-Assembly of
the AuxCuy Clusters inside the [Au3(diphosphine)3]3+ Triangles
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9478
_journal_page_last               9488
_journal_paper_doi               10.1021/ic801073k
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety
'(C138 H102 Au6 Cu2 P6), 3.5(C3 H6 O), 2(F6 P)'
_chemical_formula_sum            'C148.5 H123 Au6 Cu2 F12 O3.5 P8'
_chemical_formula_weight         3748.11
_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                 103.810(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.745(3)
_cell_length_b                   23.499(5)
_cell_length_c                   33.893(9)
_cell_measurement_reflns_used    13150
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      1.00
_cell_volume                     13724(5)
_computing_cell_refinement       'EvalCCD (Duisenberg, 1998-2003)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg, 1998-2003)'
_computing_molecular_graphics    'Diamond v.3.1e (Brandenburg, 2007)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXH-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0691
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            96098
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    6.854
_exptl_absorpt_correction_T_max  0.3331
_exptl_absorpt_correction_T_min  0.2361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v.2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7208
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.720
_refine_diff_density_min         -1.781
_refine_diff_density_rms         0.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1686
_refine_ls_number_reflns         26865
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0474
_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)+(0.0412P)²+109.5549P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0959
_refine_ls_wR_factor_ref         0.1150
_reflns_number_gt                17640
_reflns_number_total             26865
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801073k_si_001.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C148.50 H123 Au6 Cu2 F12 O3.50 P8'
_cod_database_code               4306159
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 0.41360(2) 0.345529(15) 0.130945(11) 0.03394(10) Uani 1 1 d . . .
Au2 Au 0.29152(2) 0.427240(15) 0.124820(10) 0.03258(10) Uani 1 1 d . . .
Au3 Au 0.47752(2) 0.237336(16) 0.082843(11) 0.03702(10) Uani 1 1 d . . .
Au4 Au 0.48121(2) 0.173959(15) 0.010840(10) 0.02815(9) Uani 1 1 d . . .
Au5 Au 0.57838(2) 0.278424(15) 0.174437(10) 0.03043(9) Uani 1 1 d . . .
Au6 Au 0.68877(2) 0.258912(14) 0.250036(10) 0.02936(9) Uani 1 1 d . . .
Cu1 Cu 0.55557(7) 0.34471(5) 0.10547(3) 0.0327(3) Uani 1 1 d . . .
Cu2 Cu 0.42706(7) 0.22672(5) 0.15573(3) 0.0335(3) Uani 1 1 d . . .
P1 P 0.35031(16) 0.46793(10) 0.18696(7) 0.0319(6) Uani 1 1 d . . .
P2 P 0.20726(15) 0.38982(10) 0.06805(7) 0.0320(6) Uani 1 1 d . . .
P3 P 0.36102(15) 0.20352(10) -0.02612(6) 0.0282(5) Uani 1 1 d . . .
P4 P 0.58707(15) 0.11983(10) 0.04276(7) 0.0271(5) Uani 1 1 d . . .
P5 P 0.76027(15) 0.19421(9) 0.22324(6) 0.0264(5) Uani 1 1 d . . .
P6 P 0.63734(15) 0.32313(9) 0.28784(7) 0.0292(5) Uani 1 1 d . . .
P7 P 0.96244(19) 0.04154(13) 0.14428(9) 0.0493(8) Uani 1 1 d . . .
P8 P 0.39241(17) 0.84398(11) 0.15209(8) 0.0384(6) Uani 1 1 d . . .
F1 F 0.9801(4) 0.0346(3) 0.1008(2) 0.080(2) Uani 1 1 d . . .
F2 F 0.9430(5) 0.0482(4) 0.1871(2) 0.089(2) Uani 1 1 d . . .
F3 F 0.8730(4) 0.0433(4) 0.1234(2) 0.089(2) Uani 1 1 d . . .
F4 F 0.9539(5) -0.0247(3) 0.1473(2) 0.085(2) Uani 1 1 d . . .
F5 F 1.0511(5) 0.0358(4) 0.1642(2) 0.098(3) Uani 1 1 d . . .
F6 F 0.9686(6) 0.1064(3) 0.1389(3) 0.115(3) Uani 1 1 d . . .
F7 F 0.4083(4) 0.8275(3) 0.10983(18) 0.067(2) Uani 1 1 d . . .
F8 F 0.3780(5) 0.8610(4) 0.1946(2) 0.097(3) Uani 1 1 d . . .
F9 F 0.4114(5) 0.7822(3) 0.1681(2) 0.074(2) Uani 1 1 d . . .
F10 F 0.4802(4) 0.8603(3) 0.1676(2) 0.088(3) Uani 1 1 d . . .
F11 F 0.3732(5) 0.9066(3) 0.1355(2) 0.091(3) Uani 1 1 d . . .
F12 F 0.3045(4) 0.8301(4) 0.1363(2) 0.088(2) Uani 1 1 d . . .
O1 O 0.9244(8) 0.8118(6) 0.0039(4) 0.131(5) Uani 1 1 d . . .
O2 O 0.1083(7) 0.8254(7) 0.0800(4) 0.140(5) Uani 1 1 d . . .
C1 C 0.1295(6) 0.3549(4) 0.0848(3) 0.031(2) Uani 1 1 d . . .
C2 C 0.1487(7) 0.3178(4) 0.1176(3) 0.047(3) Uani 1 1 d . . .
H2 H 0.2016 0.3110 0.1305 0.057 Uiso 1 1 calc R . .
C3 C 0.0920(7) 0.2913(5) 0.1310(4) 0.058(3) Uani 1 1 d . . .
H3 H 0.1058 0.2651 0.1529 0.069 Uiso 1 1 calc R . .
C4 C 0.0152(8) 0.3014(5) 0.1139(3) 0.060(3) Uani 1 1 d . . .
H4 H -0.0241 0.2843 0.1247 0.072 Uiso 1 1 calc R . .
C5 C -0.0036(7) 0.3361(5) 0.0812(4) 0.062(3) Uani 1 1 d . . .
H5 H -0.0567 0.3416 0.0681 0.074 Uiso 1 1 calc R . .
C6 C 0.0527(7) 0.3637(5) 0.0665(3) 0.053(3) Uani 1 1 d . . .
H6 H 0.0383 0.3886 0.0438 0.064 Uiso 1 1 calc R . .
C7 C 0.1591(6) 0.4392(4) 0.0290(3) 0.040(2) Uani 1 1 d . . .
C8 C 0.1466(6) 0.4944(4) 0.0385(3) 0.048(3) Uani 1 1 d . . .
H8 H 0.1656 0.5079 0.0655 0.058 Uiso 1 1 calc R . .
C9 C 0.1060(8) 0.5307(5) 0.0086(4) 0.066(4) Uani 1 1 d . . .
H9 H 0.0975 0.5691 0.0151 0.080 Uiso 1 1 calc R . .
C10 C 0.0788(7) 0.5115(6) -0.0293(4) 0.067(4) Uani 1 1 d . . .
H10 H 0.0504 0.5366 -0.0495 0.080 Uiso 1 1 calc R . .
C11 C 0.0907(6) 0.4578(6) -0.0394(4) 0.060(3) Uani 1 1 d . . .
H11 H 0.0710 0.4451 -0.0666 0.072 Uiso 1 1 calc R . .
C12 C 0.1317(7) 0.4204(5) -0.0104(3) 0.053(3) Uani 1 1 d . . .
H12 H 0.1408 0.3824 -0.0175 0.064 Uiso 1 1 calc R . .
C13 C 0.2477(5) 0.3364(3) 0.0404(2) 0.027(2) Uani 1 1 d . . .
C14 C 0.2105(6) 0.2849(4) 0.0285(3) 0.039(2) Uani 1 1 d . . .
H14 H 0.1626 0.2767 0.0353 0.046 Uiso 1 1 calc R . .
C15 C 0.2422(5) 0.2457(4) 0.0072(3) 0.031(2) Uani 1 1 d . . .
H15 H 0.2154 0.2113 -0.0017 0.037 Uiso 1 1 calc R . .
C16 C 0.3133(5) 0.2563(4) -0.0014(2) 0.027(2) Uani 1 1 d . . .
C17 C 0.3489(6) 0.3078(4) 0.0094(2) 0.032(2) Uani 1 1 d . . .
H17 H 0.3968 0.3157 0.0026 0.039 Uiso 1 1 calc R . .
C18 C 0.3167(5) 0.3485(4) 0.0300(2) 0.027(2) Uani 1 1 d . . .
H18 H 0.3417 0.3841 0.0369 0.032 Uiso 1 1 calc R . .
C20 C 0.2899(6) 0.1128(4) 0.0008(3) 0.036(2) Uani 1 1 d . . .
H20 H 0.3192 0.1244 0.0268 0.043 Uiso 1 1 calc R . .
C21 C 0.2415(6) 0.0668(4) -0.0026(3) 0.040(3) Uani 1 1 d . . .
H21 H 0.2367 0.0468 0.0210 0.048 Uiso 1 1 calc R . .
C22 C 0.2002(6) 0.0497(4) -0.0400(3) 0.045(3) Uani 1 1 d . . .
H22 H 0.1666 0.0178 -0.0422 0.055 Uiso 1 1 calc R . .
C23 C 0.2065(6) 0.0778(4) -0.0741(3) 0.039(2) Uani 1 1 d . . .
H23 H 0.1780 0.0651 -0.1000 0.047 Uiso 1 1 calc R . .
C24 C 0.2548(6) 0.1248(4) -0.0710(3) 0.034(2) Uani 1 1 d . . .
H24 H 0.2589 0.1446 -0.0949 0.040 Uiso 1 1 calc R . .
C25 C 0.2964(5) 0.1430(4) -0.0337(3) 0.030(2) Uani 1 1 d . . .
C26 C 0.3613(5) 0.2332(4) -0.0753(2) 0.029(2) Uani 1 1 d . . .
C27 C 0.2973(6) 0.2632(4) -0.0974(3) 0.034(2) Uani 1 1 d . . .
H27 H 0.2523 0.2677 -0.0870 0.041 Uiso 1 1 calc R . .
C28 C 0.3002(6) 0.2861(4) -0.1344(3) 0.035(2) Uani 1 1 d . . .
H28 H 0.2567 0.3062 -0.1498 0.043 Uiso 1 1 calc R . .
C29 C 0.3646(6) 0.2802(4) -0.1491(3) 0.039(2) Uani 1 1 d . . .
H29 H 0.3657 0.2961 -0.1747 0.046 Uiso 1 1 calc R . .
C30 C 0.4271(7) 0.2518(4) -0.1276(3) 0.043(3) Uani 1 1 d . . .
H30 H 0.4721 0.2480 -0.1379 0.052 Uiso 1 1 calc R . .
C31 C 0.4255(6) 0.2283(4) -0.0906(3) 0.035(2) Uani 1 1 d . . .
H31 H 0.4697 0.2083 -0.0755 0.042 Uiso 1 1 calc R . .
C32 C 0.5528(5) 0.0491(4) 0.0489(2) 0.028(2) Uani 1 1 d . . .
C33 C 0.4786(6) 0.0423(4) 0.0544(3) 0.048(3) Uani 1 1 d . . .
H33 H 0.4445 0.0741 0.0506 0.058 Uiso 1 1 calc R . .
C34 C 0.4529(6) -0.0091(4) 0.0650(3) 0.047(3) Uani 1 1 d . . .
H34 H 0.4018 -0.0125 0.0688 0.057 Uiso 1 1 calc R . .
C35 C 0.4997(6) -0.0547(4) 0.0702(3) 0.035(2) Uani 1 1 d . . .
H35 H 0.4826 -0.0903 0.0782 0.042 Uiso 1 1 calc R . .
C36 C 0.5712(7) -0.0493(4) 0.0637(3) 0.050(3) Uani 1 1 d . . .
H36 H 0.6042 -0.0817 0.0669 0.060 Uiso 1 1 calc R . .
C37 C 0.5981(6) 0.0020(4) 0.0525(3) 0.039(2) Uani 1 1 d . . .
H37 H 0.6484 0.0043 0.0474 0.047 Uiso 1 1 calc R . .
C38 C 0.6694(6) 0.1163(4) 0.0201(3) 0.029(2) Uani 1 1 d . . .
C39 C 0.6633(6) 0.1316(4) -0.0199(3) 0.041(3) Uani 1 1 d . . .
H39 H 0.6149 0.1444 -0.0360 0.050 Uiso 1 1 calc R . .
C40 C 0.7266(7) 0.1284(6) -0.0366(3) 0.063(4) Uani 1 1 d . . .
H40 H 0.7215 0.1387 -0.0642 0.075 Uiso 1 1 calc R . .
C41 C 0.7962(7) 0.1105(5) -0.0138(3) 0.057(3) Uani 1 1 d . . .
H41 H 0.8397 0.1078 -0.0255 0.069 Uiso 1 1 calc R . .
C42 C 0.8032(6) 0.0964(4) 0.0264(3) 0.043(3) Uani 1 1 d . . .
H42 H 0.8523 0.0849 0.0425 0.052 Uiso 1 1 calc R . .
C43 C 0.7419(6) 0.0984(4) 0.0434(3) 0.035(2) Uani 1 1 d . . .
H43 H 0.7477 0.0878 0.0710 0.042 Uiso 1 1 calc R . .
C44 C 0.6333(6) 0.1411(3) 0.0942(2) 0.029(2) Uani 1 1 d . . .
C45 C 0.6282(5) 0.1082(4) 0.1273(2) 0.026(2) Uani 1 1 d . . .
H45 H 0.5968 0.0750 0.1233 0.031 Uiso 1 1 calc R . .
C46 C 0.6685(5) 0.1232(3) 0.1662(2) 0.025(2) Uani 1 1 d . . .
H46 H 0.6650 0.1001 0.1888 0.029 Uiso 1 1 calc R . .
C47 C 0.7132(5) 0.1713(3) 0.1721(2) 0.026(2) Uani 1 1 d . . .
C48 C 0.7161(5) 0.2062(3) 0.1387(2) 0.028(2) Uani 1 1 d . . .
H48 H 0.7456 0.2404 0.1428 0.033 Uiso 1 1 calc R . .
C49 C 0.6765(5) 0.1908(4) 0.1007(3) 0.031(2) Uani 1 1 d . . .
H49 H 0.6786 0.2145 0.0782 0.037 Uiso 1 1 calc R . .
C50 C 0.7752(5) 0.1286(3) 0.2518(2) 0.024(2) Uani 1 1 d . . .
C51 C 0.7267(6) 0.1145(4) 0.2764(3) 0.040(2) Uani 1 1 d . . .
H51 H 0.6883 0.1409 0.2799 0.048 Uiso 1 1 calc R . .
C52 C 0.7330(7) 0.0627(4) 0.2961(3) 0.049(3) Uani 1 1 d . . .
H52 H 0.6988 0.0532 0.3128 0.058 Uiso 1 1 calc R . .
C53 C 0.7896(7) 0.0249(4) 0.2913(3) 0.043(3) Uani 1 1 d . . .
H53 H 0.7953 -0.0105 0.3052 0.051 Uiso 1 1 calc R . .
C54 C 0.8370(7) 0.0382(4) 0.2667(3) 0.046(3) Uani 1 1 d . . .
H54 H 0.8752 0.0117 0.2630 0.055 Uiso 1 1 calc R . .
C55 C 0.8303(6) 0.0900(4) 0.2469(3) 0.037(2) Uani 1 1 d . . .
H55 H 0.8640 0.0990 0.2299 0.045 Uiso 1 1 calc R . .
C56 C 0.8539(5) 0.2209(4) 0.2202(2) 0.029(2) Uani 1 1 d . . .
C57 C 0.8965(6) 0.1967(4) 0.1957(3) 0.036(2) Uani 1 1 d . . .
H57 H 0.8753 0.1660 0.1783 0.044 Uiso 1 1 calc R . .
C58 C 0.9692(6) 0.2164(4) 0.1960(3) 0.043(3) Uani 1 1 d . . .
H58 H 0.9981 0.1990 0.1791 0.051 Uiso 1 1 calc R . .
C59 C 1.0012(7) 0.2613(5) 0.2207(3) 0.054(3) Uani 1 1 d . . .
H59 H 1.0518 0.2748 0.2209 0.065 Uiso 1 1 calc R . .
C60 C 0.9578(7) 0.2863(5) 0.2451(3) 0.052(3) Uani 1 1 d . . .
H60 H 0.9788 0.3176 0.2619 0.063 Uiso 1 1 calc R . .
C61 C 0.8844(7) 0.2664(4) 0.2454(3) 0.040(3) Uani 1 1 d . . .
H61 H 0.8554 0.2834 0.2625 0.048 Uiso 1 1 calc R . .
C62 C 0.6073(6) 0.2898(4) 0.3293(3) 0.034(2) Uani 1 1 d . . .
C63 C 0.5953(6) 0.2321(4) 0.3290(3) 0.048(3) Uani 1 1 d . . .
H63 H 0.6003 0.2105 0.3061 0.058 Uiso 1 1 calc R . .
C64 C 0.5759(8) 0.2048(6) 0.3615(5) 0.072(4) Uani 1 1 d . . .
H64 H 0.5680 0.1648 0.3609 0.086 Uiso 1 1 calc R . .
C65 C 0.5682(8) 0.2360(7) 0.3944(5) 0.075(4) Uani 1 1 d . . .
H65 H 0.5541 0.2177 0.4165 0.090 Uiso 1 1 calc R . .
C66 C 0.5805(7) 0.2931(7) 0.3956(3) 0.066(4) Uani 1 1 d . . .
H66 H 0.5765 0.3141 0.4189 0.079 Uiso 1 1 calc R . .
C67 C 0.5992(6) 0.3211(5) 0.3628(3) 0.048(3) Uani 1 1 d . . .
H67 H 0.6062 0.3612 0.3634 0.058 Uiso 1 1 calc R . .
C68 C 0.7077(6) 0.3771(3) 0.3086(2) 0.028(2) Uani 1 1 d . . .
C69 C 0.7848(6) 0.3614(4) 0.3183(3) 0.039(3) Uani 1 1 d . . .
H69 H 0.7986 0.3229 0.3153 0.047 Uiso 1 1 calc R . .
C70 C 0.8426(7) 0.4017(4) 0.3326(3) 0.049(3) Uani 1 1 d . . .
H70 H 0.8959 0.3912 0.3389 0.059 Uiso 1 1 calc R . .
C71 C 0.8205(7) 0.4573(4) 0.3374(3) 0.048(3) Uani 1 1 d . . .
H71 H 0.8591 0.4854 0.3468 0.057 Uiso 1 1 calc R . .
C72 C 0.7445(7) 0.4723(4) 0.3291(3) 0.046(3) Uani 1 1 d . . .
H72 H 0.7305 0.5104 0.3334 0.055 Uiso 1 1 calc R . .
C73 C 0.6873(6) 0.4327(4) 0.3142(3) 0.035(2) Uani 1 1 d . . .
H73 H 0.6342 0.4437 0.3080 0.042 Uiso 1 1 calc R . .
C74 C 0.5537(6) 0.3627(3) 0.2604(2) 0.029(2) Uani 1 1 d . . .
C75 C 0.4829(6) 0.3606(4) 0.2694(3) 0.036(2) Uani 1 1 d . . .
H75 H 0.4763 0.3370 0.2911 0.043 Uiso 1 1 calc R . .
C76 C 0.4202(6) 0.3921(4) 0.2478(3) 0.036(2) Uani 1 1 d . . .
H76 H 0.3710 0.3899 0.2542 0.043 Uiso 1 1 calc R . .
C77 C 0.4317(6) 0.4272(3) 0.2165(2) 0.027(2) Uani 1 1 d . . .
C78 C 0.5019(6) 0.4293(3) 0.2068(3) 0.030(2) Uani 1 1 d . . .
H78 H 0.5083 0.4530 0.1852 0.036 Uiso 1 1 calc R . .
C79 C 0.5637(6) 0.3975(3) 0.2280(2) 0.030(2) Uani 1 1 d . . .
H79 H 0.6124 0.3991 0.2210 0.035 Uiso 1 1 calc R . .
C80 C 0.2839(6) 0.4715(4) 0.2195(3) 0.036(2) Uani 1 1 d . . .
C81 C 0.2222(8) 0.4357(7) 0.2127(4) 0.076(4) Uani 1 1 d . . .
H81 H 0.2111 0.4116 0.1895 0.091 Uiso 1 1 calc R . .
C82 C 0.1748(9) 0.4349(8) 0.2406(4) 0.098(6) Uani 1 1 d . . .
H82 H 0.1322 0.4094 0.2367 0.117 Uiso 1 1 calc R . .
C83 C 0.1893(9) 0.4698(7) 0.2725(4) 0.079(4) Uani 1 1 d . . .
H83 H 0.1553 0.4702 0.2904 0.095 Uiso 1 1 calc R . .
C84 C 0.2517(9) 0.5047(6) 0.2799(4) 0.072(4) Uani 1 1 d . . .
H84 H 0.2623 0.5286 0.3031 0.086 Uiso 1 1 calc R . .
C85 C 0.2992(8) 0.5053(5) 0.2538(3) 0.063(4) Uani 1 1 d . . .
H85 H 0.3435 0.5293 0.2592 0.075 Uiso 1 1 calc R . .
C86 C 0.3877(6) 0.5392(4) 0.1839(3) 0.034(2) Uani 1 1 d . . .
C87 C 0.4450(7) 0.5618(4) 0.2152(3) 0.049(3) Uani 1 1 d . . .
H87 H 0.4672 0.5394 0.2384 0.059 Uiso 1 1 calc R . .
C88 C 0.4695(7) 0.6170(4) 0.2124(4) 0.057(3) Uani 1 1 d . . .
H88 H 0.5081 0.6331 0.2339 0.069 Uiso 1 1 calc R . .
C89 C 0.4375(8) 0.6485(5) 0.1783(4) 0.061(3) Uani 1 1 d . . .
H89 H 0.4557 0.6861 0.1757 0.073 Uiso 1 1 calc R . .
C90 C 0.3802(8) 0.6264(5) 0.1483(4) 0.062(4) Uani 1 1 d . . .
H90 H 0.3559 0.6493 0.1258 0.074 Uiso 1 1 calc R . .
C91 C 0.3576(7) 0.5713(4) 0.1505(3) 0.047(3) Uani 1 1 d . . .
H91 H 0.3203 0.5551 0.1285 0.056 Uiso 1 1 calc R . .
C92 C 0.4674(6) 0.4034(4) 0.1047(3) 0.037(2) Uani 1 1 d . . .
C93 C 0.5013(6) 0.4420(4) 0.0929(3) 0.038(2) Uani 1 1 d . . .
C94 C 0.5451(6) 0.4900(4) 0.0837(3) 0.037(2) Uani 1 1 d . . .
C95 C 0.5659(7) 0.5336(4) 0.1125(3) 0.053(3) Uani 1 1 d . . .
H95 H 0.5495 0.5326 0.1372 0.064 Uiso 1 1 calc R . .
C96 C 0.6104(8) 0.5778(5) 0.1043(4) 0.070(4) Uani 1 1 d . . .
H96 H 0.6260 0.6069 0.1240 0.084 Uiso 1 1 calc R . .
C97 C 0.6323(9) 0.5809(5) 0.0691(4) 0.072(4) Uani 1 1 d . . .
H97 H 0.6637 0.6117 0.0644 0.087 Uiso 1 1 calc R . .
C98 C 0.6099(9) 0.5400(5) 0.0401(4) 0.077(4) Uani 1 1 d . . .
H98 H 0.6240 0.5430 0.0148 0.092 Uiso 1 1 calc R . .
C99 C 0.5667(7) 0.4944(4) 0.0479(3) 0.051(3) Uani 1 1 d . . .
H99 H 0.5517 0.4655 0.0279 0.061 Uiso 1 1 calc R . .
C100 C 0.3579(6) 0.2956(4) 0.1620(3) 0.037(2) Uani 1 1 d . . .
C101 C 0.3274(6) 0.2677(4) 0.1838(3) 0.038(2) Uani 1 1 d . . .
C102 C 0.2847(7) 0.2421(5) 0.2096(3) 0.050(3) Uani 1 1 d . . .
C103 C 0.2610(12) 0.1890(8) 0.2043(6) 0.119(6) Uani 1 1 d U . .
H103 H 0.2788 0.1656 0.1855 0.142 Uiso 1 1 calc R . .
C104 C 0.2085(16) 0.1659(11) 0.2265(9) 0.170(9) Uani 1 1 d U . .
H104 H 0.1831 0.1306 0.2188 0.204 Uiso 1 1 calc R . .
C105 C 0.1967(14) 0.1947(11) 0.2575(6) 0.134(8) Uani 1 1 d . . .
H105 H 0.1740 0.1767 0.2769 0.161 Uiso 1 1 calc R . .
C106 C 0.2155(10) 0.2464(10) 0.2616(5) 0.098(6) Uani 1 1 d . . .
H106 H 0.1994 0.2684 0.2816 0.118 Uiso 1 1 calc R . .
C107 C 0.2582(8) 0.2715(7) 0.2379(4) 0.076(4) Uani 1 1 d . . .
H107 H 0.2698 0.3109 0.2414 0.091 Uiso 1 1 calc R . .
C108 C 0.5423(6) 0.2871(4) 0.0577(3) 0.039(3) Uani 1 1 d . . .
C109 C 0.5777(6) 0.3179(4) 0.0392(3) 0.039(2) Uani 1 1 d . . .
C110 C 0.6138(7) 0.3536(5) 0.0156(3) 0.047(3) Uani 1 1 d . . .
C111 C 0.6862(8) 0.3767(6) 0.0314(4) 0.069(4) Uani 1 1 d . . .
H111 H 0.7143 0.3661 0.0579 0.083 Uiso 1 1 calc R . .
C112 C 0.7179(9) 0.4147(7) 0.0094(4) 0.090(5) Uani 1 1 d . . .
H112 H 0.7672 0.4310 0.0211 0.107 Uiso 1 1 calc R . .
C113 C 0.6797(10) 0.4293(6) -0.0291(5) 0.087(5) Uani 1 1 d . . .
H113 H 0.7031 0.4549 -0.0444 0.105 Uiso 1 1 calc R . .
C114 C 0.6071(9) 0.4070(6) -0.0461(4) 0.073(4) Uani 1 1 d . . .
H114 H 0.5806 0.4171 -0.0730 0.088 Uiso 1 1 calc R . .
C115 C 0.5732(7) 0.3701(5) -0.0239(3) 0.057(3) Uani 1 1 d . . .
H115 H 0.5225 0.3557 -0.0350 0.068 Uiso 1 1 calc R . .
C116 C 0.4042(7) 0.1839(4) 0.1008(3) 0.040(3) Uani 1 1 d . . .
C117 C 0.3554(7) 0.1513(5) 0.1054(3) 0.045(3) Uani 1 1 d . . .
C118 C 0.2933(7) 0.1137(5) 0.1079(3) 0.053(3) Uani 1 1 d . . .
C119 C 0.3059(7) 0.0550(5) 0.1138(3) 0.055(3) Uani 1 1 d . . .
H119 H 0.3571 0.0404 0.1184 0.066 Uiso 1 1 calc R . .
C120 C 0.2459(9) 0.0189(6) 0.1129(4) 0.068(4) Uani 1 1 d . . .
H120 H 0.2552 -0.0209 0.1159 0.082 Uiso 1 1 calc R . .
C121 C 0.1721(9) 0.0396(7) 0.1075(4) 0.082(4) Uani 1 1 d . . .
H121 H 0.1304 0.0143 0.1077 0.098 Uiso 1 1 calc R . .
C122 C 0.1582(8) 0.0968(8) 0.1020(5) 0.103(6) Uani 1 1 d . . .
H122 H 0.1072 0.1114 0.0988 0.124 Uiso 1 1 calc R . .
C123 C 0.2189(9) 0.1327(7) 0.1012(5) 0.084(5) Uani 1 1 d . . .
H123 H 0.2086 0.1720 0.0958 0.100 Uiso 1 1 calc R . .
C124 C 0.6459(6) 0.3373(4) 0.1567(3) 0.033(2) Uani 1 1 d . . .
C125 C 0.6962(6) 0.3666(4) 0.1507(2) 0.031(2) Uani 1 1 d . . .
C126 C 0.7630(6) 0.3976(4) 0.1450(3) 0.036(2) Uani 1 1 d . . .
C127 C 0.7555(7) 0.4487(4) 0.1235(3) 0.050(3) Uani 1 1 d . . .
H127 H 0.7051 0.4637 0.1125 0.061 Uiso 1 1 calc R . .
C128 C 0.8180(8) 0.4777(5) 0.1178(3) 0.053(3) Uani 1 1 d . . .
H128 H 0.8113 0.5121 0.1026 0.063 Uiso 1 1 calc R . .
C129 C 0.8907(8) 0.4573(5) 0.1341(3) 0.057(3) Uani 1 1 d . . .
H129 H 0.9347 0.4775 0.1302 0.069 Uiso 1 1 calc R . .
C130 C 0.9007(7) 0.4071(5) 0.1561(4) 0.059(3) Uani 1 1 d . . .
H130 H 0.9514 0.3930 0.1676 0.071 Uiso 1 1 calc R . .
C131 C 0.8370(7) 0.3783(5) 0.1612(3) 0.050(3) Uani 1 1 d . . .
H131 H 0.8440 0.3439 0.1763 0.060 Uiso 1 1 calc R . .
C132 C 0.5310(6) 0.2121(5) 0.1971(3) 0.042(3) Uani 1 1 d . . .
C133 C 0.5161(6) 0.1652(4) 0.2075(3) 0.040(2) Uani 1 1 d . . .
C134 C 0.5089(6) 0.1067(5) 0.2172(3) 0.044(3) Uani 1 1 d . . .
C135 C 0.5187(8) 0.0891(5) 0.2571(4) 0.069(4) Uani 1 1 d . . .
H135 H 0.5252 0.1162 0.2784 0.083 Uiso 1 1 calc R . .
C136 C 0.5190(10) 0.0312(7) 0.2656(5) 0.105(6) Uani 1 1 d . . .
H136 H 0.5261 0.0189 0.2930 0.126 Uiso 1 1 calc R . .
C137 C 0.5094(9) -0.0083(6) 0.2353(6) 0.098(6) Uani 1 1 d . . .
H137 H 0.5109 -0.0476 0.2420 0.118 Uiso 1 1 calc R . .
C138 C 0.4978(8) 0.0073(5) 0.1960(5) 0.076(4) Uani 1 1 d . . .
H138 H 0.4909 -0.0205 0.1751 0.091 Uiso 1 1 calc R . .
C139 C 0.4963(7) 0.0653(5) 0.1868(4) 0.058(3) Uani 1 1 d . . .
H139 H 0.4864 0.0768 0.1592 0.069 Uiso 1 1 calc R . .
C140 C 1.0160(10) 0.8178(7) -0.0335(5) 0.107(6) Uani 1 1 d . . .
H14A H 1.0002 0.7785 -0.0409 0.161 Uiso 1 1 calc R . .
H14B H 1.0706 0.8184 -0.0186 0.161 Uiso 1 1 calc R . .
H14C H 1.0094 0.8409 -0.0581 0.161 Uiso 1 1 calc R . .
C141 C 0.9769(9) 0.9039(8) 0.0026(5) 0.105(6) Uani 1 1 d . . .
H14D H 0.9325 0.9171 0.0125 0.158 Uiso 1 1 calc R . .
H14E H 0.9796 0.9253 -0.0219 0.158 Uiso 1 1 calc R . .
H14F H 1.0248 0.9098 0.0236 0.158 Uiso 1 1 calc R . .
C142 C 0.9676(8) 0.8411(8) -0.0076(4) 0.080(4) Uani 1 1 d . . .
C143 C 0.1369(11) 0.7837(10) 0.1441(8) 0.170(11) Uani 1 1 d . . .
H14G H 0.0977 0.7815 0.1601 0.255 Uiso 1 1 calc R . .
H14H H 0.1886 0.7867 0.1624 0.255 Uiso 1 1 calc R . .
H14I H 0.1342 0.7493 0.1274 0.255 Uiso 1 1 calc R . .
C144 C 0.1243(14) 0.8883(8) 0.1365(8) 0.172(12) Uani 1 1 d . . .
H14J H 0.1693 0.9100 0.1328 0.257 Uiso 1 1 calc R . .
H14K H 0.1289 0.8818 0.1655 0.257 Uiso 1 1 calc R . .
H14L H 0.0767 0.9098 0.1251 0.257 Uiso 1 1 calc R . .
C145 C 0.1214(10) 0.8359(10) 0.1165(6) 0.108(6) Uani 1 1 d . . .
O3 O 0.0130(9) 0.5807(5) 0.1355(5) 0.055(4) Uani 0.50 1 d P . .
C146 C 0.1260(16) 0.6117(13) 0.1778(9) 0.093(10) Uani 0.50 1 d PDU . .
H14M H 0.1263 0.6519 0.1702 0.139 Uiso 0.50 1 calc PR . .
H14N H 0.1782 0.5958 0.1812 0.139 Uiso 0.50 1 calc PR . .
H14O H 0.1098 0.6083 0.2034 0.139 Uiso 0.50 1 calc PR . .
C147 C 0.111(2) 0.5322(12) 0.1415(11) 0.129(13) Uani 0.50 1 d PDU . .
H14P H 0.1306 0.5133 0.1677 0.193 Uiso 0.50 1 calc PR . .
H14Q H 0.1537 0.5406 0.1289 0.193 Uiso 0.50 1 calc PR . .
H14R H 0.0732 0.5072 0.1236 0.193 Uiso 0.50 1 calc PR . .
C148 C 0.0745(14) 0.5821(9) 0.1476(6) 0.043(5) Uani 0.50 1 d PDU . .
O4 O 0.1828(11) 0.6274(8) 0.0817(5) 0.098(7) Uani 0.567(14) 1 d P A 1
C149 C 0.218(2) 0.7101(17) 0.0468(15) 0.124(15) Uani 0.567(14) 1 d PDU A 1
H14S H 0.2484 0.7317 0.0700 0.186 Uiso 0.567(14) 1 calc PR A 1
H14T H 0.1896 0.7365 0.0263 0.186 Uiso 0.567(14) 1 calc PR A 1
H14U H 0.2536 0.6871 0.0351 0.186 Uiso 0.567(14) 1 calc PR A 1
C150 C 0.0737(19) 0.6830(14) 0.0434(10) 0.122(12) Uani 0.567(14) 1 d PDU A 1
H15A H 0.0427 0.6567 0.0555 0.183 Uiso 0.567(14) 1 calc PR A 1
H15B H 0.0611 0.6776 0.0139 0.183 Uiso 0.567(14) 1 calc PR A 1
H15C H 0.0620 0.7222 0.0497 0.183 Uiso 0.567(14) 1 calc PR A 1
C151 C 0.1612(15) 0.6709(12) 0.0611(8) 0.079(8) Uani 0.567(14) 1 d PDU A 1
O5 O 0.1394(19) 0.6867(12) 0.0095(11) 0.144(17) Uani 0.433(14) 1 d P A 2
C153 C 0.219(2) 0.7406(12) -0.0239(9) 0.081(12) Uani 0.433(14) 1 d P A 2
H15D H 0.2704 0.7298 -0.0267 0.122 Uiso 0.433(14) 1 calc PR A 2
H15E H 0.2164 0.7819 -0.0204 0.122 Uiso 0.433(14) 1 calc PR A 2
H15F H 0.1798 0.7292 -0.0484 0.122 Uiso 0.433(14) 1 calc PR A 2
C154 C 0.202(3) 0.7117(16) 0.0120(10) 0.087(14) Uani 0.433(14) 1 d P A 2
C152 C 0.262(3) 0.7141(18) 0.0554(12) 0.084(12) Uani 0.433(14) 1 d PU A 2
H15G H 0.2342 0.7079 0.0767 0.125 Uiso 0.433(14) 1 calc PR A 2
H15H H 0.2873 0.7514 0.0591 0.125 Uiso 0.433(14) 1 calc PR A 2
H15I H 0.3013 0.6843 0.0569 0.125 Uiso 0.433(14) 1 calc PR A 2
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'
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C100 Au1 C92 172.6(4) . . ?
C100 Au1 Cu1 137.9(3) . . ?
C92 Au1 Cu1 46.9(3) . . ?
C100 Au1 Au2 88.4(3) . . ?
C92 Au1 Au2 86.8(3) . . ?
Cu1 Au1 Au2 133.63(3) . . ?
C100 Au1 Cu2 45.4(3) . . ?
C92 Au1 Cu2 140.4(3) . . ?
Cu1 Au1 Cu2 93.63(3) . . ?
Au2 Au1 Cu2 132.28(3) . . ?
C100 Au1 Au5 88.9(3) . . ?
C92 Au1 Au5 93.3(3) . . ?
Cu1 Au1 Au5 52.17(3) . . ?
Au2 Au1 Au5 156.308(17) . . ?
Cu2 Au1 Au5 54.30(3) . . ?
C100 Au1 Au3 94.5(3) . . ?
C92 Au1 Au3 92.7(3) . . ?
Cu1 Au1 Au3 54.76(2) . . ?
Au2 Au1 Au3 143.990(18) . . ?
Cu2 Au1 Au3 53.13(3) . . ?
Au5 Au1 Au3 59.699(16) . . ?
P2 Au2 P1 166.82(9) . . ?
P2 Au2 Au1 97.65(6) . . ?
P1 Au2 Au1 92.41(6) . . ?
C108 Au3 C116 172.3(4) . . ?
C108 Au3 Cu2 140.2(3) . . ?
C116 Au3 Cu2 46.9(3) . . ?
C108 Au3 Au4 78.8(3) . . ?
C116 Au3 Au4 94.7(3) . . ?
Cu2 Au3 Au4 140.46(3) . . ?
C108 Au3 Cu1 46.0(3) . . ?
C116 Au3 Cu1 140.4(3) . . ?
Cu2 Au3 Cu1 94.40(3) . . ?
Au4 Au3 Cu1 124.81(3) . . ?
C108 Au3 Au5 89.6(3) . . ?
C116 Au3 Au5 98.2(3) . . ?
Cu2 Au3 Au5 54.88(3) . . ?
Au4 Au3 Au5 145.577(19) . . ?
Cu1 Au3 Au5 51.97(2) . . ?
C108 Au3 Au1 93.5(3) . . ?
C116 Au3 Au1 90.5(3) . . ?
Cu2 Au3 Au1 55.24(3) . . ?
Au4 Au3 Au1 152.019(17) . . ?
Cu1 Au3 Au1 53.63(3) . . ?
Au5 Au3 Au1 59.839(14) . . ?
P3 Au4 P4 164.13(8) . . ?
P3 Au4 Au3 95.72(6) . . ?
P4 Au4 Au3 93.92(6) . . ?
C132 Au5 C124 168.7(4) . . ?
C132 Au5 Cu1 140.6(3) . . ?
C124 Au5 Cu1 48.4(3) . . ?
C132 Au5 Au6 78.1(3) . . ?
C124 Au5 Au6 92.8(3) . . ?
Cu1 Au5 Au6 141.16(3) . . ?
C132 Au5 Cu2 45.8(3) . . ?
C124 Au5 Cu2 144.6(3) . . ?
Cu1 Au5 Cu2 96.39(4) . . ?
Au6 Au5 Cu2 122.16(3) . . ?
C132 Au5 Au3 87.2(3) . . ?
C124 Au5 Au3 98.4(2) . . ?
Cu1 Au5 Au3 55.72(3) . . ?
Au6 Au5 Au3 152.403(17) . . ?
Cu2 Au5 Au3 53.65(3) . . ?
C132 Au5 Au1 97.6(3) . . ?
C124 Au5 Au1 93.7(3) . . ?
Cu1 Au5 Au1 54.77(3) . . ?
Au6 Au5 Au1 144.062(17) . . ?
Cu2 Au5 Au1 55.20(3) . . ?
Au3 Au5 Au1 60.462(15) . . ?
P5 Au6 P6 168.78(8) . . ?
P5 Au6 Au5 94.38(6) . . ?
P6 Au6 Au5 96.63(6) . . ?
C124 Cu1 C108 121.3(4) . . ?
C124 Cu1 C92 119.6(4) . . ?
C108 Cu1 C92 118.5(4) . . ?
C124 Cu1 C109 119.1(4) . . ?
C108 Cu1 C109 29.9(4) . . ?
C92 Cu1 C109 116.3(4) . . ?
C124 Cu1 C93 114.4(3) . . ?
C108 Cu1 C93 119.9(3) . . ?
C92 Cu1 C93 29.1(3) . . ?
C109 Cu1 C93 102.7(3) . . ?
C124 Cu1 Au5 46.7(3) . . ?
C108 Cu1 Au5 105.0(3) . . ?
C92 Cu1 Au5 110.0(3) . . ?
C109 Cu1 Au5 127.5(3) . . ?
C93 Cu1 Au5 129.7(2) . . ?
C124 Cu1 Au1 108.0(3) . . ?
C108 Cu1 Au1 107.2(3) . . ?
C92 Cu1 Au1 44.2(3) . . ?
C109 Cu1 Au1 128.7(2) . . ?
C93 Cu1 Au1 73.2(3) . . ?
Au5 Cu1 Au1 73.06(3) . . ?
C124 Cu1 Au3 112.0(3) . . ?
C108 Cu1 Au3 43.0(3) . . ?
C92 Cu1 Au3 105.3(3) . . ?
C109 Cu1 Au3 72.8(3) . . ?
C93 Cu1 Au3 128.1(2) . . ?
Au5 Cu1 Au3 72.31(3) . . ?
Au1 Cu1 Au3 71.61(3) . . ?
C132 Cu2 C116 118.8(4) . . ?
C132 Cu2 C100 121.1(4) . . ?
C116 Cu2 C100 118.6(4) . . ?
C132 Cu2 C101 115.0(4) . . ?
C116 Cu2 C101 123.1(4) . . ?
C100 Cu2 C101 30.2(3) . . ?
C132 Cu2 C133 28.3(4) . . ?
C116 Cu2 C133 107.6(4) . . ?
C100 Cu2 C133 131.7(3) . . ?
C101 Cu2 C133 110.7(3) . . ?
C132 Cu2 Au3 100.9(3) . . ?
C116 Cu2 Au3 45.0(3) . . ?
C100 Cu2 Au3 109.8(3) . . ?
C101 Cu2 Au3 136.6(2) . . ?
C133 Cu2 Au3 112.4(2) . . ?
C132 Cu2 Au5 44.3(3) . . ?
C116 Cu2 Au5 112.0(3) . . ?
C100 Cu2 Au5 101.1(3) . . ?
C101 Cu2 Au5 118.7(2) . . ?
C133 Cu2 Au5 72.0(2) . . ?
Au3 Cu2 Au5 71.47(3) . . ?
C132 Cu2 Au1 110.8(3) . . ?
C116 Cu2 Au1 102.8(3) . . ?
C100 Cu2 Au1 43.1(3) . . ?
C101 Cu2 Au1 73.3(2) . . ?
C133 Cu2 Au1 138.3(2) . . ?
Au3 Cu2 Au1 71.63(3) . . ?
Au5 Cu2 Au1 70.51(3) . . ?
C80 P1 C86 107.1(4) . . ?
C80 P1 C77 103.8(4) . . ?
C86 P1 C77 105.3(4) . . ?
C80 P1 Au2 111.0(4) . . ?
C86 P1 Au2 114.8(3) . . ?
C77 P1 Au2 114.0(3) . . ?
C1 P2 C7 104.9(4) . . ?
C1 P2 C13 105.8(4) . . ?
C7 P2 C13 104.0(4) . . ?
C1 P2 Au2 107.5(3) . . ?
C7 P2 Au2 117.6(3) . . ?
C13 P2 Au2 115.9(3) . . ?
C25 P3 C26 108.3(4) . . ?
C25 P3 C16 104.7(4) . . ?
C26 P3 C16 105.4(4) . . ?
C25 P3 Au4 108.2(3) . . ?
C26 P3 Au4 114.3(3) . . ?
C16 P3 Au4 115.3(3) . . ?
C32 P4 C38 109.7(4) . . ?
C32 P4 C44 103.3(4) . . ?
C38 P4 C44 101.3(4) . . ?
C32 P4 Au4 107.7(3) . . ?
C38 P4 Au4 118.4(3) . . ?
C44 P4 Au4 115.4(3) . . ?
C56 P5 C50 108.0(4) . . ?
C56 P5 C47 105.6(4) . . ?
C50 P5 C47 103.6(4) . . ?
C56 P5 Au6 113.3(3) . . ?
C50 P5 Au6 112.1(3) . . ?
C47 P5 Au6 113.6(3) . . ?
C62 P6 C68 107.9(4) . . ?
C62 P6 C74 105.5(4) . . ?
C68 P6 C74 104.3(4) . . ?
C62 P6 Au6 112.4(3) . . ?
C68 P6 Au6 110.4(3) . . ?
C74 P6 Au6 115.8(3) . . ?
F6 P7 F5 92.5(6) . . ?
F6 P7 F4 176.9(6) . . ?
F5 P7 F4 89.4(5) . . ?
F6 P7 F3 90.8(5) . . ?
F5 P7 F3 176.4(5) . . ?
F4 P7 F3 87.3(5) . . ?
F6 P7 F2 92.8(5) . . ?
F5 P7 F2 91.7(4) . . ?
F4 P7 F2 89.5(5) . . ?
F3 P7 F2 89.6(4) . . ?
F6 P7 F1 87.5(5) . . ?
F5 P7 F1 89.4(4) . . ?
F4 P7 F1 90.1(4) . . ?
F3 P7 F1 89.2(4) . . ?
F2 P7 F1 178.8(5) . . ?
F12 P8 F9 92.3(5) . . ?
F12 P8 F10 177.9(5) . . ?
F9 P8 F10 89.8(4) . . ?
F12 P8 F8 90.0(5) . . ?
F9 P8 F8 89.3(4) . . ?
F10 P8 F8 89.7(5) . . ?
F12 P8 F7 91.1(4) . . ?
F9 P8 F7 91.0(4) . . ?
F10 P8 F7 89.2(4) . . ?
F8 P8 F7 178.9(5) . . ?
F12 P8 F11 87.7(5) . . ?
F9 P8 F11 179.6(4) . . ?
F10 P8 F11 90.2(5) . . ?
F8 P8 F11 91.1(4) . . ?
F7 P8 F11 88.6(4) . . ?
C6 C1 C2 119.0(9) . . ?
C6 C1 P2 122.5(7) . . ?
C2 C1 P2 118.5(8) . . ?
C3 C2 C1 119.9(11) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C2 C3 C4 121.6(11) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C5 C4 C3 118.5(11) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C4 C5 C6 121.5(12) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C1 C6 C5 119.4(10) . . ?
C1 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C8 C7 C12 119.5(10) . . ?
C8 C7 P2 120.6(8) . . ?
C12 C7 P2 119.9(8) . . ?
C7 C8 C9 119.7(11) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C10 C9 C8 120.0(12) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C11 C10 C9 121.3(12) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C12 120.2(12) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 119.3(11) . . ?
C7 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C18 C13 C14 119.5(8) . . ?
C18 C13 P2 118.3(7) . . ?
C14 C13 P2 122.2(7) . . ?
C15 C14 C13 120.6(9) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 120.0(8) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 119.1(8) . . ?
C17 C16 P3 119.3(7) . . ?
C15 C16 P3 121.5(7) . . ?
C16 C17 C18 121.6(9) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C13 C18 C17 119.0(8) . . ?
C13 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C21 C20 C25 120.5(9) . . ?
C21 C20 H20 119.8 . . ?
C25 C20 H20 119.8 . . ?
C22 C21 C20 119.8(9) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C23 C22 C21 120.9(10) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 119.9(9) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C25 C24 C23 120.2(9) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C24 C25 C20 118.7(9) . . ?
C24 C25 P3 124.1(7) . . ?
C20 C25 P3 117.2(7) . . ?
C31 C26 C27 119.2(8) . . ?
C31 C26 P3 120.2(7) . . ?
C27 C26 P3 120.5(7) . . ?
C28 C27 C26 118.8(9) . . ?
C28 C27 H27 120.6 . . ?
C26 C27 H27 120.6 . . ?
C29 C28 C27 120.9(10) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C30 C29 C28 120.4(9) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 119.9(10) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C26 C31 C30 120.8(9) . . ?
C26 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
C37 C32 C33 117.2(9) . . ?
C37 C32 P4 123.7(8) . . ?
C33 C32 P4 118.7(7) . . ?
C34 C33 C32 121.6(10) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C35 C34 C33 120.3(10) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C34 C35 C36 118.8(9) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 H35 120.6 . . ?
C35 C36 C37 122.0(10) . . ?
C35 C36 H36 119.0 . . ?
C37 C36 H36 119.0 . . ?
C32 C37 C36 120.0(10) . . ?
C32 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C39 C38 C43 118.5(9) . . ?
C39 C38 P4 121.6(8) . . ?
C43 C38 P4 119.9(7) . . ?
C40 C39 C38 120.6(10) . . ?
C40 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
C41 C40 C39 120.4(11) . . ?
C41 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C40 C41 C42 119.4(11) . . ?
C40 C41 H41 120.3 . . ?
C42 C41 H41 120.3 . . ?
C43 C42 C41 121.5(11) . . ?
C43 C42 H42 119.2 . . ?
C41 C42 H42 119.2 . . ?
C42 C43 C38 119.6(9) . . ?
C42 C43 H43 120.2 . . ?
C38 C43 H43 120.2 . . ?
C45 C44 C49 119.1(8) . . ?
C45 C44 P4 121.6(7) . . ?
C49 C44 P4 119.3(6) . . ?
C44 C45 C46 120.7(8) . . ?
C44 C45 H45 119.6 . . ?
C46 C45 H45 119.6 . . ?
C47 C46 C45 119.7(8) . . ?
C47 C46 H46 120.1 . . ?
C45 C46 H46 120.1 . . ?
C46 C47 C48 119.8(7) . . ?
C46 C47 P5 120.1(6) . . ?
C48 C47 P5 119.8(6) . . ?
C49 C48 C47 119.8(8) . . ?
C49 C48 H48 120.1 . . ?
C47 C48 H48 120.1 . . ?
C48 C49 C44 120.8(8) . . ?
C48 C49 H49 119.6 . . ?
C44 C49 H49 119.6 . . ?
C51 C50 C55 118.8(8) . . ?
C51 C50 P5 119.9(7) . . ?
C55 C50 P5 121.1(7) . . ?
C50 C51 C52 121.1(9) . . ?
C50 C51 H51 119.5 . . ?
C52 C51 H51 119.5 . . ?
C51 C52 C53 119.2(10) . . ?
C51 C52 H52 120.4 . . ?
C53 C52 H52 120.4 . . ?
C54 C53 C52 120.1(9) . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C54 C55 120.5(10) . . ?
C53 C54 H54 119.8 . . ?
C55 C54 H54 119.8 . . ?
C50 C55 C54 120.3(9) . . ?
C50 C55 H55 119.8 . . ?
C54 C55 H55 119.8 . . ?
C57 C56 C61 120.0(9) . . ?
C57 C56 P5 122.6(7) . . ?
C61 C56 P5 117.4(8) . . ?
C58 C57 C56 120.5(9) . . ?
C58 C57 H57 119.7 . . ?
C56 C57 H57 119.7 . . ?
C57 C58 C59 121.0(11) . . ?
C57 C58 H58 119.5 . . ?
C59 C58 H58 119.5 . . ?
C58 C59 C60 118.6(11) . . ?
C58 C59 H59 120.7 . . ?
C60 C59 H59 120.7 . . ?
C61 C60 C59 121.1(10) . . ?
C61 C60 H60 119.4 . . ?
C59 C60 H60 119.4 . . ?
C60 C61 C56 118.8(10) . . ?
C60 C61 H61 120.6 . . ?
C56 C61 H61 120.6 . . ?
C63 C62 C67 119.1(9) . . ?
C63 C62 P6 119.8(8) . . ?
C67 C62 P6 121.0(7) . . ?
C62 C63 C64 121.1(11) . . ?
C62 C63 H63 119.4 . . ?
C64 C63 H63 119.4 . . ?
C65 C64 C63 119.4(12) . . ?
C65 C64 H64 120.3 . . ?
C63 C64 H64 120.3 . . ?
C66 C65 C64 120.5(11) . . ?
C66 C65 H65 119.8 . . ?
C64 C65 H65 119.8 . . ?
C65 C66 C67 120.6(12) . . ?
C65 C66 H66 119.7 . . ?
C67 C66 H66 119.7 . . ?
C62 C67 C66 119.3(11) . . ?
C62 C67 H67 120.4 . . ?
C66 C67 H67 120.4 . . ?
C69 C68 C73 119.8(9) . . ?
C69 C68 P6 117.4(6) . . ?
C73 C68 P6 122.7(8) . . ?
C68 C69 C70 120.5(9) . . ?
C68 C69 H69 119.8 . . ?
C70 C69 H69 119.8 . . ?
C71 C70 C69 118.4(11) . . ?
C71 C70 H70 120.8 . . ?
C69 C70 H70 120.8 . . ?
C72 C71 C70 121.1(10) . . ?
C72 C71 H71 119.5 . . ?
C70 C71 H71 119.5 . . ?
C71 C72 C73 120.6(9) . . ?
C71 C72 H72 119.7 . . ?
C73 C72 H72 119.7 . . ?
C72 C73 C68 119.6(10) . . ?
C72 C73 H73 120.2 . . ?
C68 C73 H73 120.2 . . ?
C75 C74 C79 119.3(9) . . ?
C75 C74 P6 123.5(7) . . ?
C79 C74 P6 117.2(7) . . ?
C74 C75 C76 121.8(9) . . ?
C74 C75 H75 119.1 . . ?
C76 C75 H75 119.1 . . ?
C75 C76 C77 118.1(9) . . ?
C75 C76 H76 121.0 . . ?
C77 C76 H76 121.0 . . ?
C78 C77 C76 120.8(8) . . ?
C78 C77 P1 120.0(6) . . ?
C76 C77 P1 119.1(7) . . ?
C77 C78 C79 121.0(8) . . ?
C77 C78 H78 119.5 . . ?
C79 C78 H78 119.5 . . ?
C78 C79 C74 119.1(9) . . ?
C78 C79 H79 120.5 . . ?
C74 C79 H79 120.5 . . ?
C81 C80 C85 119.3(10) . . ?
C81 C80 P1 119.1(8) . . ?
C85 C80 P1 121.2(9) . . ?
C80 C81 C82 118.7(12) . . ?
C80 C81 H81 120.7 . . ?
C82 C81 H81 120.7 . . ?
C83 C82 C81 120.5(14) . . ?
C83 C82 H82 119.8 . . ?
C81 C82 H82 119.8 . . ?
C82 C83 C84 120.9(13) . . ?
C82 C83 H83 119.6 . . ?
C84 C83 H83 119.6 . . ?
C83 C84 C85 119.6(13) . . ?
C83 C84 H84 120.2 . . ?
C85 C84 H84 120.2 . . ?
C84 C85 C80 121.0(13) . . ?
C84 C85 H85 119.5 . . ?
C80 C85 H85 119.5 . . ?
C91 C86 C87 119.7(10) . . ?
C91 C86 P1 118.9(8) . . ?
C87 C86 P1 121.4(7) . . ?
C88 C87 C86 119.6(10) . . ?
C88 C87 H87 120.2 . . ?
C86 C87 H87 120.2 . . ?
C87 C88 C89 119.4(11) . . ?
C87 C88 H88 120.3 . . ?
C89 C88 H88 120.3 . . ?
C90 C89 C88 120.4(11) . . ?
C90 C89 H89 119.8 . . ?
C88 C89 H89 119.8 . . ?
C89 C90 C91 120.1(11) . . ?
C89 C90 H90 119.9 . . ?
C91 C90 H90 119.9 . . ?
C86 C91 C90 120.6(11) . . ?
C86 C91 H91 119.7 . . ?
C90 C91 H91 119.7 . . ?
C93 C92 Au1 172.5(8) . . ?
C93 C92 Cu1 94.1(8) . . ?
Au1 C92 Cu1 88.9(4) . . ?
C92 C93 C94 173.3(10) . . ?
C92 C93 Cu1 56.9(6) . . ?
C94 C93 Cu1 123.3(7) . . ?
C99 C94 C95 118.7(9) . . ?
C99 C94 C93 122.1(9) . . ?
C95 C94 C93 119.1(9) . . ?
C96 C95 C94 118.8(11) . . ?
C96 C95 H95 120.6 . . ?
C94 C95 H95 120.6 . . ?
C97 C96 C95 121.6(12) . . ?
C97 C96 H96 119.2 . . ?
C95 C96 H96 119.2 . . ?
C96 C97 C98 120.5(12) . . ?
C96 C97 H97 119.7 . . ?
C98 C97 H97 119.7 . . ?
C97 C98 C99 119.1(12) . . ?
C97 C98 H98 120.4 . . ?
C99 C98 H98 120.4 . . ?
C94 C99 C98 121.1(10) . . ?
C94 C99 H99 119.4 . . ?
C98 C99 H99 119.4 . . ?
C101 C100 Au1 174.4(9) . . ?
C101 C100 Cu2 90.1(7) . . ?
Au1 C100 Cu2 91.5(4) . . ?
C100 C101 C102 171.6(11) . . ?
C100 C101 Cu2 59.7(6) . . ?
C102 C101 Cu2 128.8(7) . . ?
C103 C102 C107 115.1(13) . . ?
C103 C102 C101 121.2(12) . . ?
C107 C102 C101 123.3(11) . . ?
C102 C103 C104 121.0(19) . . ?
C102 C103 H103 119.5 . . ?
C104 C103 H103 119.5 . . ?
C105 C104 C103 118(2) . . ?
C105 C104 H104 120.9 . . ?
C103 C104 H104 120.9 . . ?
C106 C105 C104 120(2) . . ?
C106 C105 H105 120.1 . . ?
C104 C105 H105 120.1 . . ?
C105 C106 C107 121.6(18) . . ?
C105 C106 H106 119.2 . . ?
C107 C106 H106 119.2 . . ?
C102 C107 C106 122.3(15) . . ?
C102 C107 H107 118.9 . . ?
C106 C107 H107 118.9 . . ?
C109 C108 Au3 174.7(9) . . ?
C109 C108 Cu1 92.2(7) . . ?
Au3 C108 Cu1 91.0(4) . . ?
C108 C109 C110 176.0(11) . . ?
C108 C109 Cu1 57.9(6) . . ?
C110 C109 Cu1 123.9(7) . . ?
C111 C110 C115 118.6(11) . . ?
C111 C110 C109 121.2(10) . . ?
C115 C110 C109 119.9(11) . . ?
C112 C111 C110 120.6(13) . . ?
C112 C111 H111 119.7 . . ?
C110 C111 H111 119.7 . . ?
C113 C112 C111 120.8(14) . . ?
C113 C112 H112 119.6 . . ?
C111 C112 H112 119.6 . . ?
C112 C113 C114 120.3(13) . . ?
C112 C113 H113 119.8 . . ?
C114 C113 H113 119.8 . . ?
C115 C114 C113 119.7(13) . . ?
C115 C114 H114 120.2 . . ?
C113 C114 H114 120.2 . . ?
C114 C115 C110 119.9(12) . . ?
C114 C115 H115 120.0 . . ?
C110 C115 H115 120.0 . . ?
C117 C116 Au3 170.2(8) . . ?
C117 C116 Cu2 100.7(8) . . ?
Au3 C116 Cu2 88.1(4) . . ?
C116 C117 C118 175.5(11) . . ?
C123 C118 C119 117.4(12) . . ?
C123 C118 C117 121.2(12) . . ?
C119 C118 C117 121.2(11) . . ?
C120 C119 C118 121.0(12) . . ?
C120 C119 H119 119.5 . . ?
C118 C119 H119 119.5 . . ?
C119 C120 C121 120.1(14) . . ?
C119 C120 H120 120.0 . . ?
C121 C120 H120 120.0 . . ?
C120 C121 C122 120.2(14) . . ?
C120 C121 H121 119.9 . . ?
C122 C121 H121 119.9 . . ?
C121 C122 C123 119.3(14) . . ?
C121 C122 H122 120.4 . . ?
C123 C122 H122 120.4 . . ?
C118 C123 C122 121.9(14) . . ?
C118 C123 H123 119.0 . . ?
C122 C123 H123 119.0 . . ?
C125 C124 Au5 168.1(9) . . ?
C125 C124 Cu1 105.8(7) . . ?
Au5 C124 Cu1 84.9(4) . . ?
C124 C125 C126 174.2(10) . . ?
C131 C126 C127 117.2(10) . . ?
C131 C126 C125 121.0(9) . . ?
C127 C126 C125 121.8(10) . . ?
C128 C127 C126 121.9(12) . . ?
C128 C127 H127 119.1 . . ?
C126 C127 H127 119.1 . . ?
C127 C128 C129 119.6(11) . . ?
C127 C128 H128 120.2 . . ?
C129 C128 H128 120.2 . . ?
C128 C129 C130 120.4(11) . . ?
C128 C129 H129 119.8 . . ?
C130 C129 H129 119.8 . . ?
C131 C130 C129 119.2(12) . . ?
C131 C130 H130 120.4 . . ?
C129 C130 H130 120.4 . . ?
C130 C131 C126 121.8(11) . . ?
C130 C131 H131 119.1 . . ?
C126 C131 H131 119.1 . . ?
C133 C132 Au5 164.2(10) . . ?
C133 C132 Cu2 97.4(8) . . ?
Au5 C132 Cu2 90.0(4) . . ?
C132 C133 C134 170.7(12) . . ?
C132 C133 Cu2 54.3(6) . . ?
C134 C133 Cu2 129.6(7) . . ?
C135 C134 C139 118.3(10) . . ?
C135 C134 C133 121.1(11) . . ?
C139 C134 C133 120.5(10) . . ?
C134 C135 C136 119.3(13) . . ?
C134 C135 H135 120.4 . . ?
C136 C135 H135 120.4 . . ?
C137 C136 C135 120.9(14) . . ?
C137 C136 H136 119.5 . . ?
C135 C136 H136 119.5 . . ?
C138 C137 C136 121.4(12) . . ?
C138 C137 H137 119.3 . . ?
C136 C137 H137 119.3 . . ?
C137 C138 C139 118.5(14) . . ?
C137 C138 H138 120.8 . . ?
C139 C138 H138 120.8 . . ?
C138 C139 C134 121.5(12) . . ?
C138 C139 H139 119.2 . . ?
C134 C139 H139 119.2 . . ?
C142 C140 H14A 109.5 . . ?
C142 C140 H14B 109.5 . . ?
H14A C140 H14B 109.5 . . ?
C142 C140 H14C 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C142 C141 H14D 109.5 . . ?
C142 C141 H14E 109.5 . . ?
H14D C141 H14E 109.5 . . ?
C142 C141 H14F 109.5 . . ?
H14D C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
O1 C142 C140 120.1(17) . . ?
O1 C142 C141 123.1(17) . . ?
C140 C142 C141 116.8(14) . . ?
C145 C143 H14G 109.5 . . ?
C145 C143 H14H 109.5 . . ?
H14G C143 H14H 109.5 . . ?
C145 C143 H14I 109.5 . . ?
H14G C143 H14I 109.5 . . ?
H14H C143 H14I 109.5 . . ?
C145 C144 H14J 109.5 . . ?
C145 C144 H14K 109.5 . . ?
H14J C144 H14K 109.5 . . ?
C145 C144 H14L 109.5 . . ?
H14J C144 H14L 109.5 . . ?
H14K C144 H14L 109.5 . . ?
O2 C145 C144 130(2) . . ?
O2 C145 C143 115(2) . . ?
C144 C145 C143 115(2) . . ?
C148 C146 H14M 109.5 . . ?
C148 C146 H14N 109.5 . . ?
H14M C146 H14N 109.5 . . ?
C148 C146 H14O 109.5 . . ?
H14M C146 H14O 109.5 . . ?
H14N C146 H14O 109.5 . . ?
C148 C147 H14P 109.5 . . ?
C148 C147 H14Q 109.5 . . ?
H14P C147 H14Q 109.5 . . ?
C148 C147 H14R 109.5 . . ?
H14P C147 H14R 109.5 . . ?
H14Q C147 H14R 109.5 . . ?
O3 C148 C147 113(3) . . ?
O3 C148 C146 137(2) . . ?
C147 C148 C146 107(3) . . ?
O4 C151 C149 122(3) . . ?
O4 C151 C150 121(3) . . ?
C149 C151 C150 116(3) . . ?
C154 C153 H15D 109.5 . . ?
C154 C153 H15E 109.5 . . ?
H15D C153 H15E 109.5 . . ?
C154 C153 H15F 109.5 . . ?
H15D C153 H15F 109.5 . . ?
H15E C153 H15F 109.5 . . ?
O5 C154 C153 121(3) . . ?
O5 C154 C152 118(4) . . ?
C153 C154 C152 121(4) . . ?
C154 C152 H15G 109.5 . . ?
C154 C152 H15H 109.5 . . ?
H15G C152 H15H 109.5 . . ?
C154 C152 H15I 109.5 . . ?
H15G C152 H15I 109.5 . . ?
H15H C152 H15I 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C100 1.989(11) . ?
Au1 C92 1.990(10) . ?
Au1 Cu1 2.8516(13) . ?
Au1 Au2 2.8649(6) . ?
Au1 Cu2 2.9088(13) . ?
Au1 Au5 3.3394(7) . ?
Au1 Au3 3.3603(7) . ?
Au2 P2 2.310(3) . ?
Au2 P1 2.321(2) . ?
Au3 C108 1.972(12) . ?
Au3 C116 2.003(12) . ?
Au3 Cu2 2.8324(13) . ?
Au3 Au4 2.8730(7) . ?
Au3 Cu1 2.8923(13) . ?
Au3 Au5 3.3347(9) . ?
Au4 P3 2.308(2) . ?
Au4 P4 2.312(2) . ?
Au5 C132 2.008(11) . ?
Au5 C124 2.014(10) . ?
Au5 Cu1 2.7572(12) . ?
Au5 Au6 2.8665(8) . ?
Au5 Cu2 2.8768(13) . ?
Au6 P5 2.301(2) . ?
Au6 P6 2.304(2) . ?
Cu1 C124 2.070(9) . ?
Cu1 C108 2.081(9) . ?
Cu1 C92 2.081(10) . ?
Cu1 C109 2.454(10) . ?
Cu1 C93 2.479(10) . ?
Cu2 C132 2.062(10) . ?
Cu2 C116 2.070(9) . ?
Cu2 C100 2.072(9) . ?
Cu2 C101 2.400(10) . ?
Cu2 C133 2.518(10) . ?
P1 C80 1.798(10) . ?
P1 C86 1.814(10) . ?
P1 C77 1.821(9) . ?
P2 C1 1.810(10) . ?
P2 C7 1.813(10) . ?
P2 C13 1.814(9) . ?
P3 C25 1.806(9) . ?
P3 C26 1.809(9) . ?
P3 C16 1.815(9) . ?
P4 C32 1.800(9) . ?
P4 C38 1.808(10) . ?
P4 C44 1.812(8) . ?
P5 C56 1.803(10) . ?
P5 C50 1.807(8) . ?
P5 C47 1.818(8) . ?
P6 C62 1.799(9) . ?
P6 C68 1.801(9) . ?
P6 C74 1.810(10) . ?
P7 F6 1.543(8) . ?
P7 F5 1.563(8) . ?
P7 F4 1.569(7) . ?
P7 F3 1.576(8) . ?
P7 F2 1.577(7) . ?
P7 F1 1.588(7) . ?
P8 F12 1.558(8) . ?
P8 F9 1.559(6) . ?
P8 F10 1.568(8) . ?
P8 F8 1.572(7) . ?
P8 F7 1.573(6) . ?
P8 F11 1.583(7) . ?
O1 C142 1.164(16) . ?
O2 C145 1.23(2) . ?
C1 C6 1.373(14) . ?
C1 C2 1.388(13) . ?
C2 C3 1.351(15) . ?
C2 H2 0.9500 . ?
C3 C4 1.369(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.351(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.380(15) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.369(14) . ?
C7 C12 1.379(14) . ?
C8 C9 1.387(15) . ?
C8 H8 0.9500 . ?
C9 C10 1.340(18) . ?
C9 H9 0.9500 . ?
C10 C11 1.339(18) . ?
C10 H10 0.9500 . ?
C11 C12 1.389(14) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.383(12) . ?
C13 C14 1.392(12) . ?
C14 C15 1.372(13) . ?
C14 H14 0.9500 . ?
C15 C16 1.384(12) . ?
C15 H15 0.9500 . ?
C16 C17 1.373(12) . ?
C17 C18 1.384(12) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C20 C21 1.368(13) . ?
C20 C25 1.396(12) . ?
C20 H20 0.9500 . ?
C21 C22 1.363(14) . ?
C21 H21 0.9500 . ?
C22 C23 1.357(13) . ?
C22 H22 0.9500 . ?
C23 C24 1.388(13) . ?
C23 H23 0.9500 . ?
C24 C25 1.372(12) . ?
C24 H24 0.9500 . ?
C26 C31 1.364(13) . ?
C26 C27 1.393(13) . ?
C27 C28 1.377(12) . ?
C27 H27 0.9500 . ?
C28 C29 1.359(14) . ?
C28 H28 0.9500 . ?
C29 C30 1.349(14) . ?
C29 H29 0.9500 . ?
C30 C31 1.376(12) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C37 1.355(13) . ?
C32 C33 1.383(13) . ?
C33 C34 1.370(14) . ?
C33 H33 0.9500 . ?
C34 C35 1.342(14) . ?
C34 H34 0.9500 . ?
C35 C36 1.343(14) . ?
C35 H35 0.9500 . ?
C36 C37 1.383(14) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.381(12) . ?
C38 C43 1.404(13) . ?
C39 C40 1.374(15) . ?
C39 H39 0.9500 . ?
C40 C41 1.357(16) . ?
C40 H40 0.9500 . ?
C41 C42 1.380(14) . ?
C41 H41 0.9500 . ?
C42 C43 1.347(13) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.382(11) . ?
C44 C49 1.387(12) . ?
C45 C46 1.387(11) . ?
C45 H45 0.9500 . ?
C46 C47 1.369(12) . ?
C46 H46 0.9500 . ?
C47 C48 1.407(11) . ?
C48 C49 1.362(11) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C51 1.372(13) . ?
C50 C55 1.373(12) . ?
C51 C52 1.380(13) . ?
C51 H51 0.9500 . ?
C52 C53 1.380(14) . ?
C52 H52 0.9500 . ?
C53 C54 1.355(14) . ?
C53 H53 0.9500 . ?
C54 C55 1.380(13) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C57 1.373(13) . ?
C56 C61 1.394(12) . ?
C57 C58 1.367(14) . ?
C57 H57 0.9500 . ?
C58 C59 1.380(15) . ?
C58 H58 0.9500 . ?
C59 C60 1.388(16) . ?
C59 H59 0.9500 . ?
C60 C61 1.387(15) . ?
C60 H60 0.9500 . ?
C61 H61 0.9500 . ?
C62 C63 1.372(13) . ?
C62 C67 1.388(13) . ?
C63 C64 1.387(16) . ?
C63 H63 0.9500 . ?
C64 C65 1.369(19) . ?
C64 H64 0.9500 . ?
C65 C66 1.357(19) . ?
C65 H65 0.9500 . ?
C66 C67 1.397(14) . ?
C66 H66 0.9500 . ?
C67 H67 0.9500 . ?
C68 C69 1.379(13) . ?
C68 C73 1.382(12) . ?
C69 C70 1.395(14) . ?
C69 H69 0.9500 . ?
C70 C71 1.386(14) . ?
C70 H70 0.9500 . ?
C71 C72 1.356(15) . ?
C71 H71 0.9500 . ?
C72 C73 1.380(13) . ?
C72 H72 0.9500 . ?
C73 H73 0.9500 . ?
C74 C75 1.363(13) . ?
C74 C79 1.413(12) . ?
C75 C76 1.391(13) . ?
C75 H75 0.9500 . ?
C76 C77 1.397(12) . ?
C76 H76 0.9500 . ?
C77 C78 1.361(13) . ?
C78 C79 1.379(12) . ?
C78 H78 0.9500 . ?
C79 H79 0.9500 . ?
C80 C81 1.358(16) . ?
C80 C85 1.377(14) . ?
C81 C82 1.409(17) . ?
C81 H81 0.9500 . ?
C82 C83 1.332(19) . ?
C82 H82 0.9500 . ?
C83 C84 1.352(19) . ?
C83 H83 0.9500 . ?
C84 C85 1.359(16) . ?
C84 H84 0.9500 . ?
C85 H85 0.9500 . ?
C86 C91 1.359(13) . ?
C86 C87 1.388(14) . ?
C87 C88 1.377(14) . ?
C87 H87 0.9500 . ?
C88 C89 1.377(16) . ?
C88 H88 0.9500 . ?
C89 C90 1.358(17) . ?
C89 H89 0.9500 . ?
C90 C91 1.363(15) . ?
C90 H90 0.9500 . ?
C91 H91 0.9500 . ?
C92 C93 1.208(13) . ?
C93 C94 1.444(14) . ?
C94 C99 1.363(14) . ?
C94 C95 1.402(13) . ?
C95 C96 1.373(15) . ?
C95 H95 0.9500 . ?
C96 C97 1.340(17) . ?
C96 H96 0.9500 . ?
C97 C98 1.365(17) . ?
C97 H97 0.9500 . ?
C98 C99 1.381(16) . ?
C98 H98 0.9500 . ?
C99 H99 0.9500 . ?
C100 C101 1.208(13) . ?
C101 C102 1.418(15) . ?
C102 C103 1.32(2) . ?
C102 C107 1.355(15) . ?
C103 C104 1.44(3) . ?
C103 H103 0.9500 . ?
C104 C105 1.31(3) . ?
C104 H104 0.9500 . ?
C105 C106 1.26(2) . ?
C105 H105 0.9500 . ?
C106 C107 1.36(2) . ?
C106 H106 0.9500 . ?
C107 H107 0.9500 . ?
C108 C109 1.224(14) . ?
C109 C110 1.414(15) . ?
C110 C111 1.380(16) . ?
C110 C115 1.414(15) . ?
C111 C112 1.368(18) . ?
C111 H111 0.9500 . ?
C112 C113 1.36(2) . ?
C112 H112 0.9500 . ?
C113 C114 1.383(19) . ?
C113 H113 0.9500 . ?
C114 C115 1.379(17) . ?
C114 H114 0.9500 . ?
C115 H115 0.9500 . ?
C116 C117 1.194(14) . ?
C117 C118 1.431(16) . ?
C118 C123 1.362(17) . ?
C118 C119 1.403(16) . ?
C119 C120 1.355(16) . ?
C119 H119 0.9500 . ?
C120 C121 1.368(18) . ?
C120 H120 0.9500 . ?
C121 C122 1.37(2) . ?
C121 H121 0.9500 . ?
C122 C123 1.375(19) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
C124 C125 1.183(13) . ?
C125 C126 1.443(14) . ?
C126 C131 1.374(15) . ?
C126 C127 1.394(13) . ?
C127 C128 1.354(15) . ?
C127 H127 0.9500 . ?
C128 C129 1.363(16) . ?
C128 H128 0.9500 . ?
C129 C130 1.383(16) . ?
C129 H129 0.9500 . ?
C130 C131 1.364(15) . ?
C130 H130 0.9500 . ?
C131 H131 0.9500 . ?
C132 C133 1.205(13) . ?
C133 C134 1.428(14) . ?
C134 C135 1.383(15) . ?
C134 C139 1.397(15) . ?
C135 C136 1.391(18) . ?
C135 H135 0.9500 . ?
C136 C137 1.37(2) . ?
C136 H136 0.9500 . ?
C137 C138 1.35(2) . ?
C137 H137 0.9500 . ?
C138 C139 1.396(16) . ?
C138 H138 0.9500 . ?
C139 H139 0.9500 . ?
C140 C142 1.47(2) . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C141 C142 1.51(2) . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C143 C145 1.53(3) . ?
C143 H14G 0.9800 . ?
C143 H14H 0.9800 . ?
C143 H14I 0.9800 . ?
C144 C145 1.40(2) . ?
C144 H14J 0.9800 . ?
C144 H14K 0.9800 . ?
C144 H14L 0.9800 . ?
O3 C148 1.07(2) . ?
C146 C148 1.386(15) . ?
C146 H14M 0.9800 . ?
C146 H14N 0.9800 . ?
C146 H14O 0.9800 . ?
C147 C148 1.375(15) . ?
C147 H14P 0.9800 . ?
C147 H14Q 0.9800 . ?
C147 H14R 0.9800 . ?
O4 C151 1.25(3) . ?
C149 C151 1.53(3) . ?
C149 H14S 0.9800 . ?
C149 H14T 0.9800 . ?
C149 H14U 0.9800 . ?
C150 C151 1.55(3) . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
O5 C154 1.24(5) . ?
C153 C154 1.48(5) . ?
C153 H15D 0.9800 . ?
C153 H15E 0.9800 . ?
C153 H15F 0.9800 . ?
C154 C152 1.60(5) . ?
C152 H15G 0.9800 . ?
C152 H15H 0.9800 . ?
C152 H15I 0.9800 . ?
