#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:25:23 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178949 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/78/4117843.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_4117843
loop_
_publ_author_name
'Igor O. Koshevoy'
'Yuh-Chia Chang'
'Antti J. Karttunen'
'Matti Haukka'
'Tapani Pakkanen'
'Pi-Tai Chou'
_publ_section_title
;
 Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and
 Luminescence Vapochromism of a Polymorphic Au-Cu Cluster
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6564
_journal_page_last               6567
_journal_paper_doi               10.1021/ja3018994
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C56 H72 Au4 Cu4 O8'
_chemical_formula_sum            'C56 H72 Au4 Cu4 O8'
_chemical_formula_weight         1915.16
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.804(2)
_cell_angle_beta                 103.210(3)
_cell_angle_gamma                103.317(3)
_cell_formula_units_Z            2
_cell_length_a                   14.2646(13)
_cell_length_b                   14.3128(7)
_cell_length_c                   16.4962(8)
_cell_measurement_reflns_used    9929
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      2.30
_cell_volume                     2796.3(3)
_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      100(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II DUO CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'curved graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27281
_diffrn_reflns_theta_full        25.53
_diffrn_reflns_theta_max         25.53
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    11.992
_exptl_absorpt_correction_T_max  0.5854
_exptl_absorpt_correction_T_min  0.1234
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.275
_exptl_crystal_description       needle
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.900
_refine_diff_density_min         -2.320
_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         10031
_refine_ls_number_restraints     126
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0917
_refine_ls_R_factor_gt           0.0568
_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)+(0.0118P)²+87.1965P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1243
_reflns_number_gt                7248
_reflns_number_total             10031
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja3018994_si_002_3.cif
_cod_data_source_block           1d
_cod_database_code               4117843
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.5760(10) 0.7678(10) 0.1232(10) 0.033(3) Uani 1 1 d . . .
C2 C 0.6259(13) 0.8346(11) 0.2053(9) 0.045(4) Uani 1 1 d . A .
C3 C 0.4543(11) 0.5741(12) -0.1566(10) 0.043(4) Uani 1 1 d . . .
C4 C 0.5710(11) 0.4749(12) 0.2423(10) 0.040(3) Uani 1 1 d . . .
C5 C 0.7481(11) 0.5990(14) 0.1369(11) 0.045(4) Uani 1 1 d . . .
C6 C 0.7925(13) 0.6657(15) 0.2206(11) 0.051(4) Uani 1 1 d . A .
C7 C 0.6266(11) 0.4031(12) -0.1450(11) 0.046(4) Uani 1 1 d . . .
C8 C 0.4070(10) 0.6485(11) 0.2319(11) 0.046(4) Uani 1 1 d . . .
C9 C 0.9095(14) 0.6633(15) -0.0133(13) 0.061(5) Uani 1 1 d U . .
C10 C 0.8953(9) 0.7351(11) -0.0291(10) 0.033(3) Uani 1 1 d . . .
C11 C 0.8597(13) 0.3963(13) 0.0175(16) 0.069(6) Uani 1 1 d . . .
C12 C 1.0607(12) 0.4434(11) 0.2500(11) 0.045(4) Uani 1 1 d . . .
C13 C 1.1412(10) 0.7942(12) 0.2117(9) 0.039(3) Uani 1 1 d . . .
C14 C 1.1526(11) 0.8762(11) 0.2028(10) 0.038(3) Uani 1 1 d . . .
C15 C 1.0863(11) 0.5264(12) 0.2437(10) 0.043(4) Uani 1 1 d . . .
C16 C 0.8232(10) 0.3159(11) 0.0218(11) 0.038(3) Uani 1 1 d . . .
C17 C 0.6807(19) 0.9338(13) 0.3007(11) 0.087(8) Uani 1 1 d D . .
C18 C 0.611(2) 1.001(3) 0.315(3) 0.169(7) Uani 1 1 d DU A .
H18A H 0.6202 1.0423 0.3832 0.203 Uiso 1 1 calc R . .
H18B H 0.5371 0.9549 0.2779 0.203 Uiso 1 1 calc R . .
C19 C 0.651(2) 1.079(3) 0.278(3) 0.169(7) Uani 1 1 d DU . .
H19A H 0.6150 1.0443 0.2082 0.203 Uiso 1 1 calc R A .
H19B H 0.6390 1.1481 0.3084 0.203 Uiso 1 1 calc R . .
C20 C 0.761(2) 1.102(2) 0.300(3) 0.169(7) Uani 1 1 d DU A .
H20A H 0.8011 1.1693 0.3613 0.203 Uiso 1 1 calc R . .
H20B H 0.7822 1.1117 0.2498 0.203 Uiso 1 1 calc R . .
C21 C 0.784(2) 1.004(3) 0.306(3) 0.169(7) Uani 1 1 d DU A .
H21A H 0.8028 0.9621 0.2517 0.203 Uiso 1 1 calc R . .
H21B H 0.8398 1.0283 0.3659 0.203 Uiso 1 1 calc R . .
C22 C 0.6108(15) 0.5147(14) 0.3461(10) 0.060(5) Uani 1 1 d . A .
C23 C 0.698(2) 0.469(2) 0.368(2) 0.132(7) Uani 1 1 d . . .
H23A H 0.7354 0.4597 0.3236 0.158 Uiso 1 1 calc R A .
H23B H 0.7475 0.5148 0.4344 0.158 Uiso 1 1 calc R . .
C24 C 0.634(2) 0.366(2) 0.353(2) 0.132(7) Uani 1 1 d U A .
H24A H 0.6713 0.3493 0.4007 0.158 Uiso 1 1 calc R . .
H24B H 0.6262 0.3088 0.2897 0.158 Uiso 1 1 calc R . .
C25 C 0.527(2) 0.353(2) 0.356(2) 0.117(9) Uani 1 1 d U . .
H25A H 0.5187 0.3374 0.4080 0.140 Uiso 1 1 calc R A .
H25B H 0.4727 0.2943 0.2949 0.140 Uiso 1 1 calc R . .
C26 C 0.526(2) 0.4678(15) 0.3758(14) 0.091(8) Uani 1 1 d . A .
H26A H 0.4581 0.4622 0.3381 0.109 Uiso 1 1 calc R . .
H26B H 0.5403 0.5146 0.4440 0.109 Uiso 1 1 calc R . .
C27 C 0.8645(12) 0.7356(14) 0.3210(11) 0.061(5) Uani 1 1 d DU . .
C28 C 0.9262(15) 0.6766(18) 0.3570(13) 0.115(10) Uani 1 1 d D A .
H28A H 0.9484 0.6299 0.3079 0.138 Uiso 1 1 calc R . .
H28B H 0.8867 0.6318 0.3791 0.138 Uiso 1 1 calc R . .
C29 C 1.0197(17) 0.778(2) 0.4410(15) 0.110(8) Uani 1 1 d DU . .
H29A H 1.0050 0.7986 0.5004 0.133 Uiso 1 1 calc R A .
H29B H 1.0821 0.7580 0.4497 0.133 Uiso 1 1 calc R . .
C30 C 1.0382(17) 0.869(2) 0.4214(18) 0.133(10) Uani 1 1 d DU A .
H30A H 1.1034 0.8836 0.4092 0.159 Uiso 1 1 calc R . .
H30B H 1.0431 0.9361 0.4761 0.159 Uiso 1 1 calc R . .
C31 C 0.9460(14) 0.8362(18) 0.3331(12) 0.116(10) Uani 1 1 d D A .
H31A H 0.9193 0.8964 0.3428 0.139 Uiso 1 1 calc R . .
H31B H 0.9661 0.8177 0.2766 0.139 Uiso 1 1 calc R . .
C32 C 0.4337(13) 0.7215(14) 0.3334(13) 0.068(6) Uani 1 1 d . A .
C33 C 0.3725(14) 0.6682(17) 0.3788(13) 0.076(6) Uani 1 1 d . . .
H33A H 0.4118 0.6337 0.4077 0.091 Uiso 1 1 calc R A .
H33B H 0.3052 0.6117 0.3309 0.091 Uiso 1 1 calc R . .
C34 C 0.357(2) 0.764(2) 0.4558(14) 0.117(10) Uani 1 1 d . A .
H34A H 0.2837 0.7437 0.4511 0.140 Uiso 1 1 calc R . .
H34B H 0.4011 0.7831 0.5202 0.140 Uiso 1 1 calc R . .
C35 C 0.388(3) 0.860(3) 0.434(2) 0.138(11) Uani 1 1 d U . .
H35A H 0.3337 0.8919 0.4327 0.165 Uiso 1 1 calc R A .
H35B H 0.4532 0.9174 0.4853 0.165 Uiso 1 1 calc R . .
C36 C 0.4019(16) 0.8216(15) 0.3457(15) 0.091(8) Uani 1 1 d . A .
H36A H 0.4566 0.8791 0.3464 0.109 Uiso 1 1 calc R . .
H36B H 0.3369 0.7997 0.2936 0.109 Uiso 1 1 calc R . .
C37 C 0.8542(15) 0.8124(16) -0.0494(16) 0.073(3) Uani 1 1 d . . .
C38 C 0.8638(17) 0.9123(16) 0.0421(13) 0.073(6) Uani 1 1 d . . .
H38A H 0.8999 0.9093 0.0994 0.087 Uiso 1 1 calc R . .
H38B H 0.9029 0.9817 0.0458 0.087 Uiso 1 1 calc R . .
C39 C 0.7552(14) 0.9051(16) 0.0350(15) 0.073(3) Uani 1 1 d U . .
H39A H 0.7302 0.8663 0.0683 0.088 Uiso 1 1 calc R . .
H39B H 0.7520 0.9793 0.0640 0.088 Uiso 1 1 calc R . .
C40 C 0.6958(15) 0.8478(16) -0.0606(15) 0.073(3) Uani 1 1 d U . .
H40A H 0.7031 0.8967 -0.0892 0.088 Uiso 1 1 calc R . .
H40B H 0.6220 0.8171 -0.0702 0.088 Uiso 1 1 calc R . .
C41 C 0.7352(13) 0.753(2) -0.1080(14) 0.091(7) Uani 1 1 d . . .
H41A H 0.7197 0.7293 -0.1764 0.109 Uiso 1 1 calc R . .
H41B H 0.7054 0.6892 -0.0999 0.109 Uiso 1 1 calc R . .
C42 C 1.0348(18) 0.3568(17) 0.2773(14) 0.081(3) Uani 1 1 d . . .
C43 C 0.9631(18) 0.3770(17) 0.3370(14) 0.081(3) Uani 1 1 d . . .
H43A H 0.9569 0.4494 0.3538 0.097 Uiso 1 1 calc R . .
H43B H 0.8933 0.3195 0.3013 0.097 Uiso 1 1 calc R . .
C44 C 1.0173(17) 0.3725(17) 0.4251(14) 0.081(3) Uani 1 1 d U . .
H44A H 0.9660 0.3372 0.4452 0.097 Uiso 1 1 calc R . .
H44B H 1.0596 0.4475 0.4778 0.097 Uiso 1 1 calc R . .
C45 C 1.0876(17) 0.3048(17) 0.3996(14) 0.081(3) Uani 1 1 d . . .
H45A H 1.1435 0.3196 0.4564 0.097 Uiso 1 1 calc R . .
H45B H 1.0478 0.2251 0.3604 0.097 Uiso 1 1 calc R . .
C46 C 1.1268(17) 0.3553(17) 0.3432(14) 0.081(3) Uani 1 1 d . . .
H46A H 1.1773 0.4308 0.3866 0.097 Uiso 1 1 calc R . .
H46B H 1.1614 0.3116 0.3061 0.097 Uiso 1 1 calc R . .
C47 C 1.175(2) 0.988(2) 0.2149(18) 0.107(5) Uani 1 1 d . . .
C48 C 1.1254(17) 1.0491(16) 0.2785(12) 0.074(6) Uani 1 1 d . . .
H48A H 1.0609 0.9987 0.2731 0.089 Uiso 1 1 calc R . .
H48B H 1.1099 1.1054 0.2633 0.089 Uiso 1 1 calc R . .
C49 C 1.2111(19) 1.103(2) 0.3807(18) 0.107(5) Uani 1 1 d U . .
H49A H 1.2039 1.1702 0.4252 0.128 Uiso 1 1 calc R . .
H49B H 1.2064 1.0514 0.4064 0.128 Uiso 1 1 calc R . .
C50 C 1.303(2) 1.128(2) 0.3666(18) 0.107(5) Uani 1 1 d U . .
H50A H 1.3567 1.1248 0.4139 0.128 Uiso 1 1 calc R . .
H50B H 1.3242 1.2040 0.3761 0.128 Uiso 1 1 calc R . .
C51 C 1.2930(17) 1.0527(15) 0.2712(13) 0.083(7) Uani 1 1 d . . .
H51A H 1.3298 1.0024 0.2734 0.099 Uiso 1 1 calc R . .
H51B H 1.3224 1.0934 0.2410 0.099 Uiso 1 1 calc R . .
C52 C 0.7537(10) 0.2204(11) 0.0211(11) 0.050(4) Uani 1 1 d D . .
C53 C 0.6545(10) 0.1547(13) -0.0672(13) 0.068(6) Uani 1 1 d D . .
H53A H 0.6667 0.1043 -0.1224 0.081 Uiso 1 1 calc R . .
H53B H 0.6251 0.2036 -0.0841 0.081 Uiso 1 1 calc R . .
C54 C 0.5829(12) 0.0906(17) -0.0338(18) 0.101(10) Uani 1 1 d D . .
H54A H 0.5111 0.0861 -0.0594 0.121 Uiso 1 1 calc R . .
H54B H 0.5832 0.0152 -0.0571 0.121 Uiso 1 1 calc R . .
C55 C 0.6217(15) 0.1492(16) 0.0709(18) 0.094(9) Uani 1 1 d D . .
H55A H 0.6427 0.1020 0.0961 0.113 Uiso 1 1 calc R . .
H55B H 0.5672 0.1695 0.0938 0.113 Uiso 1 1 calc R . .
C56 C 0.7154(13) 0.2529(12) 0.1047(13) 0.066(6) Uani 1 1 d D . .
H56A H 0.6945 0.3170 0.1153 0.079 Uiso 1 1 calc R . .
H56B H 0.7691 0.2699 0.1639 0.079 Uiso 1 1 calc R . .
O1 O 0.6934(11) 0.9036(8) 0.3745(7) 0.075(4) Uani 1 1 d . A .
H1 H 0.7296 0.8642 0.3681 0.112 Uiso 1 1 calc R . .
O2 O 0.6553(9) 0.6295(9) 0.3982(6) 0.058(3) Uani 1 1 d . . .
H2 H 0.6105 0.6563 0.3869 0.087 Uiso 1 1 calc R A .
O3 O 0.8075(9) 0.7733(12) 0.3821(7) 0.072(4) Uani 1 1 d . A .
H3 H 0.7638 0.7190 0.3776 0.108 Uiso 1 1 calc R . .
O4 O 0.5399(8) 0.7574(9) 0.3879(7) 0.066(4) Uani 1 1 d . . .
H4 H 0.5756 0.7922 0.3681 0.099 Uiso 1 1 calc R A .
O5 O 0.9094(8) 0.8478(8) -0.1002(7) 0.050(3) Uani 1 1 d . . .
H5 H 0.8874 0.8919 -0.1126 0.075 Uiso 1 1 calc R . .
O6 O 0.9787(8) 0.2502(7) 0.1959(7) 0.048(3) Uani 1 1 d . . .
H6 H 1.0146 0.2355 0.1619 0.072 Uiso 1 1 calc R . .
O7 O 1.1423(8) 0.9867(8) 0.1261(7) 0.046(3) Uani 1 1 d . . .
H7 H 1.1734 0.9564 0.0921 0.069 Uiso 1 1 calc R . .
O8 O 0.8082(7) 0.1455(7) 0.0225(8) 0.046(3) Uani 1 1 d . . .
H8 H 0.8622 0.1786 0.0713 0.069 Uiso 1 1 calc R . .
Cu1 Cu 0.67092(13) 0.69580(14) 0.14915(12) 0.0273(5) Uani 0.863(3) 1 d P A 1
Cu2 Cu 0.53085(13) 0.47533(15) -0.16945(12) 0.0296(5) Uani 0.863(3) 1 d P . 1
Au1 Au 0.50646(11) 0.66264(9) -0.01540(8) 0.0300(2) Uani 0.863(3) 1 d P . 1
Au2 Au 0.68270(6) 0.49599(9) -0.00332(6) 0.0337(2) Uani 0.863(3) 1 d P . 1
Cu11 Cu 0.6417(9) 0.5303(10) 0.1604(8) 0.037(3) Uani 0.137(3) 1 d P . 2
Cu21 Cu 0.4860(9) 0.6866(9) 0.1597(8) 0.034(3) Uani 0.137(3) 1 d P . 2
Au11 Au 0.5323(6) 0.6637(7) -0.0147(7) 0.030(2) Uiso 0.137(3) 1 d P . 2
Au21 Au 0.6850(5) 0.5236(5) -0.0152(4) 0.0317(16) Uiso 0.137(3) 1 d P . 2
Cu3 Cu 0.9200(3) 0.5906(3) -0.1228(2) 0.0289(10) Uani 0.431(3) 1 d P . 3
Cu4 Cu 1.0935(3) 0.7009(3) 0.0701(3) 0.0303(10) Uani 0.431(3) 1 d P . 3
Au3 Au 0.91035(13) 0.54430(14) 0.03143(16) 0.0252(4) Uani 0.431(3) 1 d P . 3
Au4 Au 1.1097(5) 0.6517(4) 0.2145(4) 0.0448(14) Uani 0.431(3) 1 d P . 3
Cu31 Cu 1.0240(2) 0.7479(2) 0.0850(2) 0.0396(9) Uani 0.569(3) 1 d P . 4
Cu41 Cu 0.9696(3) 0.4353(3) 0.1143(3) 0.0520(10) Uani 0.569(3) 1 d P . 4
Au31 Au 0.88502(14) 0.52047(13) -0.0193(2) 0.0453(5) Uani 0.569(3) 1 d P . 4
Au41 Au 1.1158(3) 0.6633(3) 0.2306(3) 0.0402(9) Uani 0.569(3) 1 d P . 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'
O O 0.0106 0.0060 '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'
Cu Cu 0.3201 1.2651 '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 Cu21 90.9(12) . .
C2 C1 Cu1 81.7(9) . .
Cu21 C1 Cu1 87.5(6) . .
C2 C1 Au11 164.0(13) . .
Cu21 C1 Au11 101.2(7) . .
Cu1 C1 Au11 88.4(6) . .
C2 C1 Au1 174.0(14) . .
Cu21 C1 Au1 94.6(6) . .
Cu1 C1 Au1 96.2(6) . .
Au11 C1 Au1 10.4(2) . .
C1 C2 C17 167.7(14) . .
C1 C2 Cu1 64.4(8) . .
C17 C2 Cu1 126.5(11) . .
C1 C2 Cu21 56.9(10) . .
C17 C2 Cu21 128.2(13) . .
Cu1 C2 Cu21 74.2(5) . .
C4 C3 Cu11 90.9(12) 2_665 2_665
C4 C3 Cu2 79.7(9) 2_665 .
Cu11 C3 Cu2 84.2(7) 2_665 .
C4 C3 Au1 175.2(15) 2_665 .
Cu11 C3 Au1 93.7(8) 2_665 .
Cu2 C3 Au1 99.7(6) . .
C4 C3 Au11 165.7(13) 2_665 .
Cu11 C3 Au11 99.9(8) 2_665 .
Cu2 C3 Au11 92.0(6) . .
Au1 C3 Au11 10.3(2) . .
C3 C4 C22 167.0(15) 2_665 .
C3 C4 Cu2 65.8(9) 2_665 2_665
C22 C4 Cu2 126.8(10) . 2_665
C3 C4 Cu11 54.6(10) 2_665 .
C22 C4 Cu11 128.6(12) . .
Cu2 C4 Cu11 71.6(6) 2_665 .
C6 C5 Cu11 91.7(12) . .
C6 C5 Cu1 79.9(11) . .
Cu11 C5 Cu1 79.3(6) . .
C6 C5 Au2 175.6(15) . .
Cu11 C5 Au2 92.6(8) . .
Cu1 C5 Au2 100.1(6) . .
C6 C5 Au21 163.0(15) . .
Cu11 C5 Au21 101.0(8) . .
Cu1 C5 Au21 91.3(6) . .
Au2 C5 Au21 13.42(19) . .
C5 C6 C27 167.1(16) . .
C5 C6 Cu1 65.4(9) . .
C27 C6 Cu1 127.1(11) . .
C5 C6 Cu11 55.1(11) . .
C27 C6 Cu11 129.5(12) . .
Cu1 C6 Cu11 67.5(6) . .
C8 C7 Cu21 82.3(11) 2_665 2_665
C8 C7 Au21 161.9(14) 2_665 .
Cu21 C7 Au21 108.9(10) 2_665 .
C8 C7 Cu2 81.9(10) 2_665 .
Cu21 C7 Cu2 79.5(7) 2_665 .
Au21 C7 Cu2 86.1(6) . .
C8 C7 Au2 176.5(13) 2_665 .
Cu21 C7 Au2 99.9(9) 2_665 .
Au21 C7 Au2 14.6(2) . .
Cu2 C7 Au2 95.7(7) . .
C7 C8 C32 168.9(15) 2_665 .
C7 C8 Cu21 59.5(11) 2_665 .
C32 C8 Cu21 121.7(13) . .
C7 C8 Cu2 63.9(9) 2_665 2_665
C32 C8 Cu2 127.2(10) . 2_665
Cu21 C8 Cu2 69.4(6) . 2_665
C10 C9 Cu3 94.0(12) . .
C10 C9 Cu31 95.8(13) . .
Cu3 C9 Cu31 117.6(9) . .
C10 C9 Au31 160.5(16) . .
Cu3 C9 Au31 80.4(7) . .
Cu31 C9 Au31 103.4(10) . .
C10 C9 Au3 166.6(14) . .
Cu3 C9 Au3 97.0(8) . .
Cu31 C9 Au3 85.9(8) . .
Au31 C9 Au3 19.96(18) . .
C10 C9 Cu4 114.2(12) . .
Cu3 C9 Cu4 90.5(7) . .
Cu31 C9 Cu4 31.0(3) . .
Au31 C9 Cu4 84.7(7) . .
Au3 C9 Cu4 73.4(6) . .
C9 C10 C37 167.2(15) . .
C9 C10 Cu3 52.7(10) . .
C37 C10 Cu3 130.8(12) . .
C9 C10 Cu31 51.5(10) . .
C37 C10 Cu31 136.1(12) . .
Cu3 C10 Cu31 85.3(5) . .
C16 C11 Cu41 89.3(14) . .
C16 C11 Cu4 81.3(11) . 2_765
Cu41 C11 Cu4 92.2(6) . 2_765
C16 C11 Au3 168.3(16) . .
Cu41 C11 Au3 89.0(8) . .
Cu4 C11 Au3 110.4(8) 2_765 .
C16 C11 Au31 164.4(17) . .
Cu41 C11 Au31 106.3(8) . .
Cu4 C11 Au31 98.7(9) 2_765 .
Au3 C11 Au31 20.29(17) . .
C15 C12 C42 169.0(16) . .
C15 C12 Cu3 69.5(10) . 2_765
C42 C12 Cu3 121.1(11) . 2_765
C15 C12 Cu41 63.8(10) . .
C42 C12 Cu41 125.0(12) . .
Cu3 C12 Cu41 45.8(3) 2_765 .
C14 C13 Au41 176.1(13) . .
C14 C13 Au4 174.2(12) . .
Au41 C13 Au4 6.6(3) . .
C14 C13 Cu4 90.2(10) . .
Au41 C13 Cu4 91.8(6) . .
Au4 C13 Cu4 85.2(6) . .
C14 C13 Cu31 73.9(9) . .
Au41 C13 Cu31 105.8(6) . .
Au4 C13 Cu31 100.3(6) . .
Cu4 C13 Cu31 37.9(3) . .
C13 C14 C47 167.4(17) . .
C13 C14 Cu31 72.3(9) . .
C47 C14 Cu31 118.4(13) . .
C13 C14 Cu4 58.6(9) . .
C47 C14 Cu4 133.9(13) . .
Cu31 C14 Cu4 34.2(2) . .
C12 C15 Cu3 75.6(10) . 2_765
C12 C15 Au4 171.1(14) . .
Cu3 C15 Au4 99.3(7) 2_765 .
C12 C15 Au41 174.9(13) . .
Cu3 C15 Au41 105.5(7) 2_765 .
Au4 C15 Au41 6.6(3) . .
C12 C15 Cu41 83.9(11) . .
Cu3 C15 Cu41 49.6(4) 2_765 .
Au4 C15 Cu41 87.3(6) . .
Au41 C15 Cu41 93.1(6) . .
C11 C16 C52 166.0(15) . .
C11 C16 Cu41 56.3(12) . .
C52 C16 Cu41 134.2(11) . .
C11 C16 Cu4 64.9(10) . 2_765
C52 C16 Cu4 122.7(9) . 2_765
Cu41 C16 Cu4 78.2(5) . 2_765
O1 C17 C2 110.7(13) . .
O1 C17 C18 106.1(18) . .
C2 C17 C18 108(2) . .
O1 C17 C21 112.7(19) . .
C2 C17 C21 111(2) . .
C18 C17 C21 108.9(15) . .
C17 C18 C19 100.7(17) . .
C17 C18 H18A 111.6 . .
C19 C18 H18A 111.6 . .
C17 C18 H18B 111.6 . .
C19 C18 H18B 111.6 . .
H18A C18 H18B 109.4 . .
C20 C19 C18 107.7(19) . .
C20 C19 H19A 110.2 . .
C18 C19 H19A 110.2 . .
C20 C19 H19B 110.2 . .
C18 C19 H19B 110.2 . .
H19A C19 H19B 108.5 . .
C19 C20 C21 108.2(18) . .
C19 C20 H20A 110.1 . .
C21 C20 H20A 110.1 . .
C19 C20 H20B 110.1 . .
C21 C20 H20B 110.1 . .
H20A C20 H20B 108.4 . .
C17 C21 C20 103.6(16) . .
C17 C21 H21A 111.0 . .
C20 C21 H21A 111.0 . .
C17 C21 H21B 111.0 . .
C20 C21 H21B 111.0 . .
H21A C21 H21B 109.0 . .
O2 C22 C4 111.9(14) . .
O2 C22 C26 112.6(13) . .
C4 C22 C26 110.1(16) . .
O2 C22 C23 107.6(17) . .
C4 C22 C23 107.9(16) . .
C26 C22 C23 106.6(18) . .
C24 C23 C22 98(2) . .
C24 C23 H23A 112.1 . .
C22 C23 H23A 112.1 . .
C24 C23 H23B 112.1 . .
C22 C23 H23B 112.1 . .
H23A C23 H23B 109.7 . .
C23 C24 C25 119(2) . .
C23 C24 H24A 107.7 . .
C25 C24 H24A 107.7 . .
C23 C24 H24B 107.7 . .
C25 C24 H24B 107.7 . .
H24A C24 H24B 107.1 . .
C24 C25 C26 100(2) . .
C24 C25 H25A 111.7 . .
C26 C25 H25A 111.7 . .
C24 C25 H25B 111.7 . .
C26 C25 H25B 111.7 . .
H25A C25 H25B 109.5 . .
C22 C26 C25 105.2(18) . .
C22 C26 H26A 110.7 . .
C25 C26 H26A 110.7 . .
C22 C26 H26B 110.7 . .
C25 C26 H26B 110.7 . .
H26A C26 H26B 108.8 . .
O3 C27 C6 110.0(12) . .
O3 C27 C28 108.8(13) . .
C6 C27 C28 113.0(14) . .
O3 C27 C31 108.4(15) . .
C6 C27 C31 111.3(14) . .
C28 C27 C31 105.1(14) . .
C27 C28 C29 99.9(15) . .
C27 C28 H28A 111.8 . .
C29 C28 H28A 111.8 . .
C27 C28 H28B 111.8 . .
C29 C28 H28B 111.8 . .
H28A C28 H28B 109.5 . .
C30 C29 C28 110.0(17) . .
C30 C29 H29A 109.7 . .
C28 C29 H29A 109.7 . .
C30 C29 H29B 109.7 . .
C28 C29 H29B 109.7 . .
H29A C29 H29B 108.2 . .
C29 C30 C31 106.4(17) . .
C29 C30 H30A 110.4 . .
C31 C30 H30A 110.4 . .
C29 C30 H30B 110.4 . .
C31 C30 H30B 110.4 . .
H30A C30 H30B 108.6 . .
C27 C31 C30 104.9(15) . .
C27 C31 H31A 110.8 . .
C30 C31 H31A 110.8 . .
C27 C31 H31B 110.8 . .
C30 C31 H31B 110.8 . .
H31A C31 H31B 108.8 . .
O4 C32 C8 113.3(15) . .
O4 C32 C33 106.8(15) . .
C8 C32 C33 112.7(15) . .
O4 C32 C36 110.0(14) . .
C8 C32 C36 109.2(15) . .
C33 C32 C36 104.3(18) . .
C32 C33 C34 104.9(19) . .
C32 C33 H33A 110.8 . .
C34 C33 H33A 110.8 . .
C32 C33 H33B 110.8 . .
C34 C33 H33B 110.8 . .
H33A C33 H33B 108.8 . .
C35 C34 C33 104(2) . .
C35 C34 H34A 110.9 . .
C33 C34 H34A 110.9 . .
C35 C34 H34B 110.9 . .
C33 C34 H34B 110.9 . .
H34A C34 H34B 108.9 . .
C36 C35 C34 110(2) . .
C36 C35 H35A 109.7 . .
C34 C35 H35A 109.7 . .
C36 C35 H35B 109.7 . .
C34 C35 H35B 109.7 . .
H35A C35 H35B 108.2 . .
C35 C36 C32 105(2) . .
C35 C36 H36A 110.8 . .
C32 C36 H36A 110.8 . .
C35 C36 H36B 110.8 . .
C32 C36 H36B 110.8 . .
H36A C36 H36B 108.9 . .
O5 C37 C10 107.6(13) . .
O5 C37 C38 110.5(15) . .
C10 C37 C38 112.8(16) . .
O5 C37 C41 112.1(17) . .
C10 C37 C41 109.0(16) . .
C38 C37 C41 104.9(16) . .
C39 C38 C37 106.1(17) . .
C39 C38 H38A 110.5 . .
C37 C38 H38A 110.5 . .
C39 C38 H38B 110.5 . .
C37 C38 H38B 110.5 . .
H38A C38 H38B 108.7 . .
C40 C39 C38 106.3(16) . .
C40 C39 H39A 110.5 . .
C38 C39 H39A 110.5 . .
C40 C39 H39B 110.5 . .
C38 C39 H39B 110.5 . .
H39A C39 H39B 108.7 . .
C39 C40 C41 107.2(17) . .
C39 C40 H40A 110.3 . .
C41 C40 H40A 110.3 . .
C39 C40 H40B 110.3 . .
C41 C40 H40B 110.3 . .
H40A C40 H40B 108.5 . .
C40 C41 C37 100.4(17) . .
C40 C41 H41A 111.7 . .
C37 C41 H41A 111.7 . .
C40 C41 H41B 111.7 . .
C37 C41 H41B 111.7 . .
H41A C41 H41B 109.5 . .
O6 C42 C12 112.0(15) . .
O6 C42 C46 110.6(15) . .
C12 C42 C46 113.9(19) . .
O6 C42 C43 106.1(17) . .
C12 C42 C43 110.7(15) . .
C46 C42 C43 102.9(16) . .
C44 C43 C42 104.0(17) . .
C44 C43 H43A 111.0 . .
C42 C43 H43A 111.0 . .
C44 C43 H43B 111.0 . .
C42 C43 H43B 111.0 . .
H43A C43 H43B 109.0 . .
C43 C44 C45 107.6(16) . .
C43 C44 H44A 110.2 . .
C45 C44 H44A 110.2 . .
C43 C44 H44B 110.2 . .
C45 C44 H44B 110.2 . .
H44A C44 H44B 108.5 . .
C46 C45 C44 95.7(16) . .
C46 C45 H45A 112.6 . .
C44 C45 H45A 112.6 . .
C46 C45 H45B 112.6 . .
C44 C45 H45B 112.6 . .
H45A C45 H45B 110.1 . .
C42 C46 C45 107.6(19) . .
C42 C46 H46A 110.2 . .
C45 C46 H46A 110.2 . .
C42 C46 H46B 110.2 . .
C45 C46 H46B 110.2 . .
H46A C46 H46B 108.5 . .
O7 C47 C14 111.9(19) . .
O7 C47 C48 109.5(18) . .
C14 C47 C48 111(2) . .
O7 C47 C51 112(2) . .
C14 C47 C51 108.2(18) . .
C48 C47 C51 104(2) . .
C47 C48 C49 102.4(18) . .
C47 C48 H48A 111.3 . .
C49 C48 H48A 111.3 . .
C47 C48 H48B 111.3 . .
C49 C48 H48B 111.3 . .
H48A C48 H48B 109.2 . .
C50 C49 C48 104(2) . .
C50 C49 H49A 110.9 . .
C48 C49 H49A 110.9 . .
C50 C49 H49B 110.9 . .
C48 C49 H49B 110.9 . .
H49A C49 H49B 108.9 . .
C49 C50 C51 111(2) . .
C49 C50 H50A 109.4 . .
C51 C50 H50A 109.4 . .
C49 C50 H50B 109.4 . .
C51 C50 H50B 109.4 . .
H50A C50 H50B 108.0 . .
C50 C51 C47 106(2) . .
C50 C51 H51A 110.5 . .
C47 C51 H51A 110.5 . .
C50 C51 H51B 110.5 . .
C47 C51 H51B 110.5 . .
H51A C51 H51B 108.7 . .
O8 C52 C16 109.0(10) . .
O8 C52 C53 107.2(11) . .
C16 C52 C53 113.4(13) . .
O8 C52 C56 109.7(12) . .
C16 C52 C56 113.1(11) . .
C53 C52 C56 104.3(11) . .
C52 C53 C54 101.9(13) . .
C52 C53 H53A 111.4 . .
C54 C53 H53A 111.4 . .
C52 C53 H53B 111.4 . .
C54 C53 H53B 111.4 . .
H53A C53 H53B 109.3 . .
C55 C54 C53 108.2(15) . .
C55 C54 H54A 110.0 . .
C53 C54 H54A 110.0 . .
C55 C54 H54B 110.0 . .
C53 C54 H54B 110.0 . .
H54A C54 H54B 108.4 . .
C54 C55 C56 107.3(14) . .
C54 C55 H55A 110.2 . .
C56 C55 H55A 110.2 . .
C54 C55 H55B 110.2 . .
C56 C55 H55B 110.2 . .
H55A C55 H55B 108.5 . .
C52 C56 C55 102.4(13) . .
C52 C56 H56A 111.3 . .
C55 C56 H56A 111.3 . .
C52 C56 H56B 111.3 . .
C55 C56 H56B 111.3 . .
H56A C56 H56B 109.2 . .
C17 O1 H1 109.5 . .
C22 O2 H2 109.5 . .
C27 O3 H3 109.5 . .
C32 O4 H4 109.5 . .
C37 O5 H5 109.5 . .
C42 O6 H6 109.5 . .
C47 O7 H7 109.5 . .
C52 O8 H8 109.5 . .
C5 Cu1 C1 164.1(6) . .
C5 Cu1 C6 34.7(6) . .
C1 Cu1 C6 161.0(6) . .
C5 Cu1 C2 161.6(6) . .
C1 Cu1 C2 33.8(5) . .
C6 Cu1 C2 127.1(6) . .
C5 Cu1 Au1 121.7(5) . .
C1 Cu1 Au1 42.4(4) . .
C6 Cu1 Au1 156.3(4) . .
C2 Cu1 Au1 76.2(4) . .
C5 Cu1 Au2 40.8(5) . .
C1 Cu1 Au2 123.3(4) . .
C6 Cu1 Au2 75.5(4) . .
C2 Cu1 Au2 156.4(4) . .
Au1 Cu1 Au2 80.90(5) . .
C3 Cu2 C7 164.3(6) . .
C3 Cu2 C4 34.5(5) . 2_665
C7 Cu2 C4 160.5(6) . 2_665
C3 Cu2 C8 161.2(6) . 2_665
C7 Cu2 C8 34.2(6) . 2_665
C4 Cu2 C8 126.7(5) 2_665 2_665
C3 Cu2 Au2 121.6(4) . .
C7 Cu2 Au2 42.8(5) . .
C4 Cu2 Au2 155.5(4) 2_665 .
C8 Cu2 Au2 76.9(4) 2_665 .
C3 Cu2 Au1 40.6(4) . .
C7 Cu2 Au1 123.8(5) . .
C4 Cu2 Au1 75.1(4) 2_665 .
C8 Cu2 Au1 157.9(4) 2_665 .
Au2 Cu2 Au1 81.03(5) . .
C3 Au1 C1 170.7(6) . .
C3 Au1 Cu1 138.1(4) . .
C1 Au1 Cu1 41.4(3) . .
C3 Au1 Cu2 39.6(4) . .
C1 Au1 Cu2 139.9(4) . .
Cu1 Au1 Cu2 98.91(6) . .
C3 Au1 Au2 93.3(5) . 2_665
C1 Au1 Au2 96.0(4) . 2_665
Cu1 Au1 Au2 96.65(5) . 2_665
Cu2 Au1 Au2 94.12(5) . 2_665
C7 Au2 C5 174.7(6) . .
C7 Au2 Cu2 41.5(4) . .
C5 Au2 Cu2 137.8(4) . .
C7 Au2 Cu1 140.2(4) . .
C5 Au2 Cu1 39.1(4) . .
Cu2 Au2 Cu1 98.78(6) . .
C7 Au2 Au1 91.3(5) . 2_665
C5 Au2 Au1 93.9(4) . 2_665
Cu2 Au2 Au1 87.96(5) . 2_665
Cu1 Au2 Au1 90.36(5) . 2_665
C3 Cu11 C5 160.6(10) 2_665 .
C3 Cu11 C4 34.5(6) 2_665 .
C5 Cu11 C4 155.5(9) . .
C3 Cu11 C6 156.8(9) 2_665 .
C5 Cu11 C6 33.2(6) . .
C4 Cu11 C6 124.5(7) . .
C3 Cu11 Au11 43.6(6) 2_665 2_665
C5 Cu11 Au11 123.5(7) . 2_665
C4 Cu11 Au11 77.7(6) . 2_665
C6 Cu11 Au11 156.7(7) . 2_665
C3 Cu11 Au21 123.8(7) 2_665 .
C5 Cu11 Au21 43.4(6) . .
C4 Cu11 Au21 158.3(7) . .
C6 Cu11 Au21 76.2(5) . .
Au11 Cu11 Au21 81.0(3) 2_665 .
C7 Cu21 C1 155.8(9) 2_665 .
C7 Cu21 C8 38.2(7) 2_665 .
C1 Cu21 C8 161.9(9) . .
C7 Cu21 C2 166.5(10) 2_665 .
C1 Cu21 C2 32.2(5) . .
C8 Cu21 C2 131.0(8) . .
C7 Cu21 Au21 38.3(6) 2_665 2_665
C1 Cu21 Au21 121.0(7) . 2_665
C8 Cu21 Au21 75.8(5) . 2_665
C2 Cu21 Au21 153.1(7) . 2_665
C7 Cu21 Au11 118.1(7) 2_665 .
C1 Cu21 Au11 40.6(5) . .
C8 Cu21 Au11 156.3(7) . .
C2 Cu21 Au11 72.5(5) . .
Au21 Cu21 Au11 80.7(4) 2_665 .
C1 Au11 C3 163.6(7) . .
C1 Au11 Cu11 137.8(6) . 2_665
C3 Au11 Cu11 36.5(5) . 2_665
C1 Au11 Cu21 38.2(5) . .
C3 Au11 Cu21 135.7(6) . .
Cu11 Au11 Cu21 100.6(4) 2_665 .
C1 Au11 Au21 102.3(5) . .
C3 Au11 Au21 93.8(5) . .
Cu11 Au11 Au21 92.0(3) 2_665 .
Cu21 Au11 Au21 99.9(4) . .
C7 Au21 C5 156.1(7) . .
C7 Au21 Cu21 32.8(5) . 2_665
C5 Au21 Cu21 131.3(6) . 2_665
C7 Au21 Cu11 128.7(6) . .
C5 Au21 Cu11 35.6(5) . .
Cu21 Au21 Cu11 97.4(4) 2_665 .
C7 Au21 Au11 103.3(5) . .
C5 Au21 Au11 93.5(4) . .
Cu21 Au21 Au11 92.1(3) 2_665 .
Cu11 Au21 Au11 84.3(3) . .
C9 Cu3 C15 164.6(7) . 2_765
C9 Cu3 C12 160.1(7) . 2_765
C15 Cu3 C12 34.9(6) 2_765 2_765
C9 Cu3 C10 33.3(6) . .
C15 Cu3 C10 157.8(6) 2_765 .
C12 Cu3 C10 127.3(6) 2_765 .
C9 Cu3 Au3 46.3(6) . .
C15 Cu3 Au3 119.6(5) 2_765 .
C12 Cu3 Au3 153.2(4) 2_765 .
C10 Cu3 Au3 79.4(4) . .
C9 Cu3 Au4 124.5(6) . 2_765
C15 Cu3 Au4 40.7(5) 2_765 2_765
C12 Cu3 Au4 75.4(4) 2_765 2_765
C10 Cu3 Au4 153.8(4) . 2_765
Au3 Cu3 Au4 79.00(16) . 2_765
C9 Cu3 Cu4 54.6(6) . .
C15 Cu3 Cu4 126.7(4) 2_765 .
C12 Cu3 Cu4 125.6(5) 2_765 .
C10 Cu3 Cu4 72.5(4) . .
Au3 Cu3 Cu4 55.32(10) . .
Au4 Cu3 Cu4 106.43(16) 2_765 .
C11 Cu4 C13 136.5(8) 2_765 .
C11 Cu4 C16 33.8(6) 2_765 2_765
C13 Cu4 C16 130.3(6) . 2_765
C11 Cu4 C14 141.8(6) 2_765 .
C13 Cu4 C14 31.2(5) . .
C16 Cu4 C14 115.2(5) 2_765 .
C11 Cu4 C9 108.5(7) 2_765 .
C13 Cu4 C9 113.2(6) . .
C16 Cu4 C9 111.3(6) 2_765 .
C14 Cu4 C9 104.9(6) . .
C11 Cu4 Au4 106.5(6) 2_765 .
C13 Cu4 Au4 47.3(5) . .
C16 Cu4 Au4 130.6(4) 2_765 .
C14 Cu4 Au4 78.5(4) . .
C9 Cu4 Au4 109.7(4) . .
C11 Cu4 Au3 96.8(5) 2_765 .
C13 Cu4 Au3 102.0(4) . .
C16 Cu4 Au3 124.5(4) 2_765 .
C14 Cu4 Au3 119.7(4) . .
C9 Cu4 Au3 47.1(4) . .
Au4 Cu4 Au3 69.93(16) . .
C11 Cu4 Cu3 74.6(6) 2_765 .
C13 Cu4 Cu3 148.1(4) . .
C16 Cu4 Cu3 78.4(4) 2_765 .
C14 Cu4 Cu3 132.1(4) . .
C9 Cu4 Cu3 34.9(4) . .
Au4 Cu4 Cu3 129.09(19) . .
Au3 Cu4 Cu3 59.62(11) . .
C11 Cu4 Au3 35.3(5) 2_765 2_765
C13 Cu4 Au3 123.7(5) . 2_765
C16 Cu4 Au3 69.1(4) 2_765 2_765
C14 Cu4 Au3 152.0(4) . 2_765
C9 Cu4 Au3 98.1(4) . 2_765
Au4 Cu4 Au3 78.98(14) . 2_765
Au3 Cu4 Au3 66.62(9) . 2_765
Cu3 Cu4 Au3 75.60(11) . 2_765
C11 Au3 C9 154.1(8) . .
C11 Au3 Cu4 139.4(4) . .
C9 Au3 Cu4 59.4(5) . .
C11 Au3 Cu3 124.8(7) . .
C9 Au3 Cu3 36.7(5) . .
Cu4 Au3 Cu3 65.06(11) . .
C11 Au3 Au4 99.2(6) . .
C9 Au3 Au4 106.5(5) . .
Cu4 Au3 Au4 54.37(15) . .
Cu3 Au3 Au4 119.05(16) . .
C11 Au3 Cu4 34.4(5) . 2_765
C9 Au3 Cu4 133.3(5) . 2_765
Cu4 Au3 Cu4 113.38(9) . 2_765
Cu3 Au3 Cu4 96.71(11) . 2_765
Au4 Au3 Cu4 100.58(12) . 2_765
C11 Au3 Au3 80.5(4) . 2_765
C9 Au3 Au3 103.9(5) . 2_765
Cu4 Au3 Au3 63.06(9) . 2_765
Cu3 Au3 Au3 76.10(10) . 2_765
Au4 Au3 Au3 71.93(12) . 2_765
Cu4 Au3 Au3 50.32(8) 2_765 2_765
C13 Au4 C15 169.3(6) . .
C13 Au4 Cu4 47.4(4) . .
C15 Au4 Cu4 143.3(5) . .
C13 Au4 Cu3 150.2(5) . 2_765
C15 Au4 Cu3 40.0(4) . 2_765
Cu4 Au4 Cu3 104.5(2) . 2_765
C13 Au4 Au3 90.4(4) . .
C15 Au4 Au3 97.7(5) . .
Cu4 Au4 Au3 55.70(14) . .
Cu3 Au4 Au3 76.48(14) 2_765 .
C9 Cu31 C13 156.4(7) . .
C9 Cu31 C14 168.3(7) . .
C13 Cu31 C14 33.8(5) . .
C9 Cu31 C10 32.7(6) . .
C13 Cu31 C10 166.6(6) . .
C14 Cu31 C10 135.9(5) . .
C9 Cu31 Au31 40.8(6) . .
C13 Cu31 Au31 116.4(4) . .
C14 Cu31 Au31 150.1(4) . .
C10 Cu31 Au31 73.4(4) . .
C11 Cu41 C15 161.0(7) . .
C11 Cu41 C16 34.4(6) . .
C15 Cu41 C16 152.8(6) . .
C11 Cu41 C12 156.3(7) . .
C15 Cu41 C12 32.3(5) . .
C16 Cu41 C12 123.6(6) . .
C11 Cu41 Au41 122.0(5) . .
C15 Cu41 Au41 43.2(5) . .
C16 Cu41 Au41 152.8(4) . .
C12 Cu41 Au41 75.4(4) . .
C11 Cu41 Au31 93.9(6) . 2_765
C15 Cu41 Au31 90.6(5) . 2_765
C16 Cu41 Au31 114.8(4) . 2_765
C12 Cu41 Au31 108.0(4) . 2_765
Au41 Cu41 Au31 70.40(12) . 2_765
C11 Cu41 Au31 40.6(5) . .
C15 Cu41 Au31 126.1(5) . .
C16 Cu41 Au31 75.0(4) . .
C12 Cu41 Au31 157.7(4) . .
Au41 Cu41 Au31 83.05(12) . .
Au31 Cu41 Au31 69.04(9) 2_765 .
C9 Au31 C11 161.8(8) . .
C9 Au31 Cu31 35.8(6) . .
C11 Au31 Cu31 132.3(6) . .
C9 Au31 Cu41 67.9(5) . 2_765
C11 Au31 Cu41 125.8(4) . 2_765
Cu31 Au31 Cu41 68.65(10) . 2_765
C9 Au31 Cu41 135.8(6) . .
C11 Au31 Cu41 33.1(6) . .
Cu31 Au31 Cu41 100.69(12) . .
Cu41 Au31 Cu41 110.96(9) 2_765 .
C13 Au41 C15 177.5(6) . .
C13 Au41 Cu41 133.8(4) . .
C15 Au41 Cu41 43.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.206(18) .
C1 Cu21 1.895(18) .
C1 Cu1 1.953(12) .
C1 Au11 1.993(16) .
C1 Au1 1.994(13) .
C2 C17 1.492(19) .
C2 Cu1 2.143(13) .
C2 Cu21 2.26(2) .
C3 C4 1.213(19) 2_665
C3 Cu11 1.75(2) 2_665
C3 Cu2 1.952(14) .
C3 Au1 1.994(14) .
C3 Au11 2.023(17) .
C4 C3 1.213(19) 2_665
C4 C22 1.48(2) .
C4 Cu2 2.105(14) 2_665
C4 Cu11 2.14(2) .
C5 C6 1.21(2) .
C5 Cu11 1.82(2) .
C5 Cu1 1.937(14) .
C5 Au2 2.006(16) .
C5 Au21 2.147(17) .
C6 C27 1.49(2) .
C6 Cu1 2.098(15) .
C6 Cu11 2.22(2) .
C7 C8 1.22(2) 2_665
C7 Cu21 1.705(19) 2_665
C7 Au21 1.948(16) .
C7 Cu2 1.957(14) .
C7 Au2 2.005(15) .
C8 C7 1.22(2) 2_665
C8 C32 1.47(2) .
C8 Cu21 1.96(2) .
C8 Cu2 2.158(15) 2_665
C9 C10 1.21(2) .
C9 Cu3 1.746(18) .
C9 Cu31 1.748(19) .
C9 Au31 1.950(17) .
C9 Au3 2.113(18) .
C9 Cu4 2.484(19) .
C10 C37 1.48(2) .
C10 Cu3 2.190(14) .
C10 Cu31 2.222(13) .
C11 C16 1.186(19) .
C11 Cu41 1.75(2) .
C11 Cu4 1.928(17) 2_765
C11 Au3 1.972(15) .
C11 Au31 2.082(17) .
C12 C15 1.213(19) .
C12 C42 1.48(2) .
C12 Cu3 2.053(15) 2_765
C12 Cu41 2.258(16) .
C13 C14 1.220(19) .
C13 Au41 1.987(16) .
C13 Au4 2.007(16) .
C13 Cu4 2.010(14) .
C13 Cu31 2.093(14) .
C14 C47 1.47(3) .
C14 Cu31 2.110(14) .
C14 Cu4 2.355(14) .
C15 Cu3 1.985(14) 2_765
C15 Au4 2.013(17) .
C15 Au41 2.016(16) .
C15 Cu41 2.039(15) .
C16 C52 1.486(18) .
C16 Cu41 2.099(15) .
C16 Cu4 2.105(14) 2_765
C17 O1 1.437(18) .
C17 C18 1.53(2) .
C17 C21 1.54(2) .
C18 C19 1.54(2) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.45(2) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.54(2) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 O2 1.404(19) .
C22 C26 1.52(3) .
C22 C23 1.57(3) .
C23 C24 1.43(4) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.51(4) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.55(3) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 O3 1.452(19) .
C27 C28 1.533(19) .
C27 C31 1.53(2) .
C28 C29 1.56(2) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.46(2) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.54(2) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 O4 1.419(17) .
C32 C33 1.53(3) .
C32 C36 1.55(2) .
C33 C34 1.55(3) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.55(4) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.42(3) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 O5 1.43(2) .
C37 C38 1.55(3) .
C37 C41 1.57(3) .
C38 C39 1.50(2) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.38(3) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.57(3) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 O6 1.44(2) .
C42 C46 1.51(3) .
C42 C43 1.57(3) .
C43 C44 1.52(3) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 C45 1.56(3) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.51(3) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47 O7 1.43(3) .
C47 C48 1.51(3) .
C47 C51 1.55(3) .
C48 C49 1.58(3) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C50 1.37(3) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 C51 1.46(3) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 O8 1.467(15) .
C52 C53 1.532(18) .
C52 C56 1.536(18) .
C53 C54 1.557(19) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 C55 1.47(2) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 C56 1.543(19) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
O1 H1 0.8400 .
O2 H2 0.8400 .
O3 H3 0.8400 .
O4 H4 0.8400 .
O5 H5 0.8400 .
O6 H6 0.8400 .
O7 H7 0.8400 .
O8 H8 0.8400 .
Cu1 Au1 2.938(2) .
Cu1 Au2 3.0235(19) .
Cu2 C4 2.105(14) 2_665
Cu2 C8 2.158(15) 2_665
Cu2 Au2 2.9373(19) .
Cu2 Au1 3.017(2) .
Au1 Au2 3.264(2) 2_665
Au2 Au1 3.264(2) 2_665
Cu11 C3 1.75(2) 2_665
Cu11 Au11 2.892(15) 2_665
Cu11 Au21 3.066(14) .
Cu21 C7 1.705(19) 2_665
Cu21 Au21 2.975(12) 2_665
Cu21 Au11 3.004(16) .
Au11 Cu11 2.892(15) 2_665
Au11 Au21 3.283(11) .
Au21 Cu21 2.975(12) 2_665
Cu3 C15 1.985(14) 2_765
Cu3 C12 2.053(15) 2_765
Cu3 Au3 2.900(4) .
Cu3 Au4 3.047(6) 2_765
Cu3 Cu4 3.048(5) .
Cu4 C11 1.928(17) 2_765
Cu4 C16 2.105(14) 2_765
Cu4 Au4 2.720(8) .
Cu4 Au3 2.764(4) .
Cu4 Au3 3.202(4) 2_765
Au3 Au4 3.143(6) .
Au3 Cu4 3.202(4) 2_765
Au3 Au3 3.297(3) 2_765
Au4 Cu3 3.047(6) 2_765
Cu31 Au31 2.904(3) .
Cu41 Au41 2.944(5) .
Cu41 Au31 2.974(4) 2_765
Cu41 Au31 3.071(4) .
Au31 Cu41 2.974(4) 2_765
