#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:38:38 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178957 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/86/4118605.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_4118605
loop_
_publ_author_name
'Xian-Kai Wan'
'Zhi-Wei Lin'
'Quan-Ming Wang'
_publ_section_title
;
 Au20 Nanocluster Protected by Hemilabile Phosphines
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14750
_journal_page_last               14752
_journal_paper_doi               10.1021/ja307256b
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C166 H158 Au20 Cl10 N20 O8 P10'
_chemical_formula_weight         7164.65
_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                118.070(3)
_cell_angle_beta                 94.307(2)
_cell_angle_gamma                110.248(3)
_cell_formula_units_Z            1
_cell_length_a                   17.5796(5)
_cell_length_b                   18.0261(5)
_cell_length_c                   18.1007(6)
_cell_measurement_temperature    173(2)
_cell_volume                     4548.1(3)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.840
_diffrn_measurement_device_type  'Oxford Gemini S Ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0985
_diffrn_reflns_av_sigmaI/netI    0.1642
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            50356
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.61
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    16.348
_exptl_absorpt_correction_T_max  0.2080
_exptl_absorpt_correction_T_min  0.1235
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'black red'
_exptl_crystal_density_diffrn    2.616
_exptl_crystal_description       block-like
_exptl_crystal_F_000             3258
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         3.845
_refine_diff_density_min         -3.126
_refine_diff_density_rms         0.446
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1004
_refine_ls_number_reflns         21489
_refine_ls_number_restraints     372
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1412
_refine_ls_R_factor_gt           0.0719
_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)+(0.0520P)²+5.2070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1308
_refine_ls_wR_factor_ref         0.1651
_reflns_number_gt                12748
_reflns_number_total             21489
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja307256b_si_002.cif
_cod_data_source_block           p
_cod_original_cell_volume        4548.1(2)
_cod_database_code               4118605
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
Au1 Au 0.04238(4) 0.06712(5) 0.60136(4) 0.01336(15) Uani 1 1 d .
Au2 Au -0.00580(4) 0.19918(5) 0.61450(4) 0.01832(17) Uani 1 1 d .
Au3 Au -0.12646(4) 0.01053(5) 0.53482(4) 0.01793(16) Uani 1 1 d .
Au4 Au 0.06634(5) -0.08150(5) 0.57497(4) 0.01814(17) Uani 1 1 d .
Au5 Au -0.03330(5) 0.14068(5) 0.73294(4) 0.02095(18) Uani 1 1 d .
Au6 Au -0.07122(4) -0.05054(5) 0.63531(4) 0.01700(16) Uani 1 1 d .
Au7 Au 0.13081(4) 0.17419(5) 0.54784(4) 0.01805(17) Uani 1 1 d .
Au8 Au 0.09691(5) 0.07235(5) 0.74911(4) 0.02048(18) Uani 1 1 d .
Au9 Au 0.14694(4) 0.24839(5) 0.72912(4) 0.01925(17) Uani 1 1 d .
Au10 Au 0.21056(4) 0.10682(5) 0.64935(4) 0.02009(17) Uani 1 1 d .
P1 P -0.1693(3) -0.1582(4) 0.6526(3) 0.0236(12) Uani 1 1 d .
P2 P 0.0873(3) -0.2083(3) 0.5506(3) 0.0211(11) Uani 1 1 d .
P3 P -0.0865(3) 0.1974(4) 0.8489(3) 0.0244(12) Uani 1 1 d .
P4 P 0.3534(3) 0.1489(4) 0.6950(3) 0.0267(12) Uani 1 1 d .
P5 P 0.2335(3) 0.3947(4) 0.8429(3) 0.0233(12) Uani 1 1 d .
N11 N -0.2054(10) -0.2838(10) 0.4766(9) 0.023(3) Uani 1 1 d U
N12 N -0.1872(13) -0.2282(14) 0.7547(12) 0.064(7) Uani 1 1 d .
N21 N 0.0916(11) -0.2605(12) 0.3839(11) 0.033(2) Uani 1 1 d U
N22 N 0.1647(12) -0.2654(13) 0.6381(11) 0.041(3) Uani 1 1 d U
N31 N 0.0173(10) 0.3738(12) 0.9123(10) 0.024(4) Uani 1 1 d .
N32 N -0.1997(11) 0.2711(13) 0.8871(11) 0.044(5) Uani 1 1 d .
N41 N 0.4821(12) 0.2474(15) 0.8528(14) 0.068(7) Uani 1 1 d .
N42 N 0.3599(12) 0.0048(12) 0.6911(13) 0.052(6) Uani 1 1 d .
N51 N 0.2928(11) 0.5008(12) 1.0218(11) 0.039(5) Uani 1 1 d .
N52 N 0.3592(11) 0.4633(14) 0.7892(12) 0.049(6) Uani 1 1 d .
C111 C -0.2235(13) -0.2707(14) 0.5518(12) 0.032(3) Uani 1 1 d U
C112 C -0.2781(14) -0.3494(15) 0.5507(13) 0.039(4) Uani 1 1 d U
H11A H -0.2897 -0.3429 0.6033 0.046 Uiso 1 1 calc R
C113 C -0.3148(14) -0.4346(15) 0.4760(13) 0.041(4) Uani 1 1 d U
H11B H -0.3536 -0.4869 0.4757 0.049 Uiso 1 1 calc R
C114 C -0.2951(14) -0.4449(15) 0.3997(13) 0.038(3) Uani 1 1 d U
H11C H -0.3190 -0.5038 0.3462 0.045 Uiso 1 1 calc R
C115 C -0.2411(13) -0.3684(14) 0.4057(12) 0.031(3) Uani 1 1 d U
H11D H -0.2268 -0.3749 0.3540 0.037 Uiso 1 1 calc R
C121 C -0.1270(15) -0.1779(18) 0.7353(15) 0.052(3) Uani 1 1 d U
C122 C -0.0443(15) -0.1434(17) 0.7589(14) 0.053(3) Uani 1 1 d U
H12A H -0.0101 -0.1133 0.7341 0.064 Uiso 1 1 calc R
C123 C -0.0094(15) -0.1545(17) 0.8249(15) 0.054(3) Uani 1 1 d U
H12B H 0.0495 -0.1296 0.8510 0.065 Uiso 1 1 calc R
C124 C -0.0691(15) -0.2035(18) 0.8453(15) 0.055(3) Uani 1 1 d U
H12C H -0.0474 -0.2102 0.8904 0.067 Uiso 1 1 calc R
C125 C -0.1516(15) -0.2448(18) 0.8166(15) 0.056(3) Uani 1 1 d U
H12D H -0.1855 -0.2829 0.8351 0.067 Uiso 1 1 calc R
C131 C -0.2560(16) -0.133(2) 0.6829(18) 0.062(6) Uani 1 1 d U
C132 C -0.2987(17) -0.119(2) 0.6312(19) 0.072(5) Uani 1 1 d U
H13A H -0.2790 -0.1202 0.5834 0.086 Uiso 1 1 calc R
C133 C -0.3713(18) -0.104(2) 0.641(2) 0.079(5) Uani 1 1 d U
H13B H -0.4005 -0.1011 0.5972 0.095 Uiso 1 1 calc R
C134 C -0.3996(19) -0.094(2) 0.704(2) 0.083(6) Uani 1 1 d U
H13C H -0.4488 -0.0838 0.7102 0.100 Uiso 1 1 calc R
C135 C -0.3522(18) -0.100(2) 0.765(2) 0.085(7) Uani 1 1 d U
H13D H -0.3672 -0.0866 0.8175 0.102 Uiso 1 1 calc R
C136 C -0.2784(17) -0.125(2) 0.7530(18) 0.072(10) Uani 1 1 d .
H13E H -0.2507 -0.1341 0.7928 0.087 Uiso 1 1 calc R
C211 C 0.1341(13) -0.2468(15) 0.4578(13) 0.033(2) Uani 1 1 d U
C212 C 0.2080(13) -0.2611(15) 0.4672(13) 0.034(2) Uani 1 1 d U
H21A H 0.2390 -0.2459 0.5216 0.041 Uiso 1 1 calc R
C213 C 0.2318(13) -0.2990(15) 0.3907(13) 0.034(2) Uani 1 1 d U
H21B H 0.2790 -0.3133 0.3915 0.041 Uiso 1 1 calc R
C214 C 0.1870(13) -0.3161(15) 0.3134(13) 0.034(2) Uani 1 1 d U
H21C H 0.2045 -0.3375 0.2618 0.041 Uiso 1 1 calc R
C215 C 0.1159(13) -0.3003(15) 0.3159(13) 0.033(2) Uani 1 1 d U
H21D H 0.0805 -0.3211 0.2613 0.040 Uiso 1 1 calc R
C221 C 0.1531(14) -0.1910(16) 0.6448(14) 0.036(3) Uani 1 1 d U
C222 C 0.1856(14) -0.1075(16) 0.7234(13) 0.038(3) Uani 1 1 d U
H22A H 0.1769 -0.0567 0.7273 0.046 Uiso 1 1 calc R
C223 C 0.2302(15) -0.0958(17) 0.7959(15) 0.042(4) Uani 1 1 d U
H22B H 0.2510 -0.0376 0.8497 0.051 Uiso 1 1 calc R
C224 C 0.2448(14) -0.1631(16) 0.7929(14) 0.041(4) Uani 1 1 d U
H22C H 0.2792 -0.1519 0.8435 0.049 Uiso 1 1 calc R
C225 C 0.2115(14) -0.2501(16) 0.7178(13) 0.039(3) Uani 1 1 d U
H22D H 0.2189 -0.2999 0.7178 0.046 Uiso 1 1 calc R
C231 C -0.0093(15) -0.3231(15) 0.5133(15) 0.042(4) Uani 1 1 d U
C232 C -0.0496(15) -0.3140(16) 0.5681(15) 0.043(4) Uani 1 1 d U
H23A H -0.0366 -0.2543 0.6174 0.051 Uiso 1 1 calc R
C233 C -0.1127(15) -0.3921(16) 0.5550(15) 0.047(4) Uani 1 1 d U
H23B H -0.1469 -0.3876 0.5937 0.057 Uiso 1 1 calc R
C234 C -0.1266(16) -0.4761(17) 0.4868(16) 0.054(4) Uani 1 1 d U
H23C H -0.1665 -0.5309 0.4817 0.065 Uiso 1 1 calc R
C235 C -0.0870(17) -0.4842(18) 0.4279(17) 0.061(4) Uani 1 1 d U
H23D H -0.1009 -0.5439 0.3781 0.074 Uiso 1 1 calc R
C236 C -0.0231(16) -0.4039(16) 0.4382(15) 0.052(4) Uani 1 1 d U
H23E H 0.0076 -0.4057 0.3969 0.062 Uiso 1 1 calc R
C311 C -0.0142(12) 0.3150(14) 0.9409(14) 0.037(4) Uani 1 1 d U
C312 C 0.0032(13) 0.3430(16) 1.0258(14) 0.043(4) Uani 1 1 d U
H31A H -0.0214 0.2998 1.0429 0.051 Uiso 1 1 calc R
C313 C 0.0564(13) 0.4336(15) 1.0874(15) 0.046(4) Uani 1 1 d U
H31B H 0.0672 0.4546 1.1477 0.055 Uiso 1 1 calc R
C314 C 0.0925(14) 0.4915(16) 1.0628(15) 0.045(4) Uani 1 1 d U
H31C H 0.1332 0.5533 1.1050 0.053 Uiso 1 1 calc R
C315 C 0.0723(13) 0.4642(15) 0.9793(14) 0.037(4) Uani 1 1 d U
H31D H 0.0969 0.5091 0.9641 0.045 Uiso 1 1 calc R
C321 C -0.1833(12) 0.2040(14) 0.8251(13) 0.031(5) Uani 1 1 d .
C322 C -0.2417(15) 0.1405(17) 0.7436(13) 0.045(6) Uani 1 1 d .
H32A H -0.2284 0.0954 0.6994 0.053 Uiso 1 1 calc R
C323 C -0.3169(19) 0.141(2) 0.7257(19) 0.081(11) Uani 1 1 d .
H32B H -0.3577 0.0957 0.6704 0.098 Uiso 1 1 calc R
C324 C -0.3332(17) 0.208(2) 0.788(2) 0.072(10) Uani 1 1 d .
H32C H -0.3874 0.2068 0.7769 0.086 Uiso 1 1 calc R
C325 C -0.2739(15) 0.2770(19) 0.8660(19) 0.068(9) Uani 1 1 d .
H32D H -0.2834 0.3286 0.9055 0.081 Uiso 1 1 calc R
C331 C -0.1133(14) 0.1328(16) 0.9003(12) 0.036(3) Uani 1 1 d U
C332 C -0.0691(15) 0.0757(16) 0.9002(13) 0.043(4) Uani 1 1 d U
H33A H -0.0244 0.0750 0.8739 0.051 Uiso 1 1 calc R
C333 C -0.0919(15) 0.0260(17) 0.9364(13) 0.047(4) Uani 1 1 d U
H33B H -0.0630 -0.0098 0.9365 0.057 Uiso 1 1 calc R
C334 C -0.1550(16) 0.0254(18) 0.9729(14) 0.049(4) Uani 1 1 d U
H33C H -0.1737 -0.0156 0.9934 0.059 Uiso 1 1 calc R
C335 C -0.1891(15) 0.0751(17) 0.9807(14) 0.044(4) Uani 1 1 d U
H33D H -0.2262 0.0793 1.0166 0.053 Uiso 1 1 calc R
C336 C -0.1779(14) 0.1306(16) 0.9389(12) 0.039(4) Uani 1 1 d U
H33E H -0.2120 0.1615 0.9388 0.046 Uiso 1 1 calc R
C411 C 0.3943(12) 0.2064(14) 0.8117(13) 0.030(5) Uani 1 1 d .
C412 C 0.3411(13) 0.2095(16) 0.8657(14) 0.041(6) Uani 1 1 d .
H41A H 0.2819 0.1833 0.8398 0.049 Uiso 1 1 calc R
C413 C 0.3690(15) 0.2475(18) 0.9520(14) 0.046(7) Uani 1 1 d .
H41B H 0.3308 0.2473 0.9864 0.055 Uiso 1 1 calc R
C414 C 0.4564(16) 0.2876(18) 0.9896(14) 0.054(7) Uani 1 1 d .
H41C H 0.4794 0.3127 1.0499 0.064 Uiso 1 1 calc R
C415 C 0.5089(17) 0.2895(17) 0.9350(16) 0.061(8) Uani 1 1 d .
H41D H 0.5683 0.3245 0.9615 0.073 Uiso 1 1 calc R
C421 C 0.3873(13) 0.0553(15) 0.6582(13) 0.031(5) Uani 1 1 d .
C422 C 0.4295(14) 0.0345(14) 0.5989(14) 0.037(6) Uani 1 1 d .
H42A H 0.4507 0.0757 0.5790 0.044 Uiso 1 1 calc R
C423 C 0.4429(17) -0.0397(19) 0.5671(18) 0.060(8) Uani 1 1 d .
H42B H 0.4672 -0.0561 0.5200 0.072 Uiso 1 1 calc R
C424 C 0.4202(15) -0.0974(16) 0.6047(17) 0.048(7) Uani 1 1 d .
H42C H 0.4363 -0.1465 0.5910 0.058 Uiso 1 1 calc R
C425 C 0.3745(18) -0.0748(16) 0.6604(16) 0.055(8) Uani 1 1 d .
H42D H 0.3504 -0.1154 0.6805 0.066 Uiso 1 1 calc R
C431 C 0.4203(13) 0.2267(16) 0.6659(13) 0.036(3) Uani 1 1 d U
C432 C 0.3825(13) 0.2530(15) 0.6175(13) 0.035(3) Uani 1 1 d U
H43A H 0.3229 0.2320 0.6037 0.042 Uiso 1 1 calc R
C433 C 0.4291(13) 0.3087(16) 0.5889(14) 0.042(4) Uani 1 1 d U
H43C H 0.4043 0.3279 0.5569 0.051 Uiso 1 1 calc R
C434 C 0.5175(14) 0.3343(16) 0.6121(14) 0.042(4) Uani 1 1 d U
H43D H 0.5534 0.3691 0.5919 0.050 Uiso 1 1 calc R
C435 C 0.5492(14) 0.3122(16) 0.6586(14) 0.043(4) Uani 1 1 d U
H43E H 0.6091 0.3359 0.6766 0.052 Uiso 1 1 calc R
C436 C 0.5035(13) 0.2577(16) 0.6837(13) 0.037(4) Uani 1 1 d U
H43F H 0.5312 0.2402 0.7155 0.044 Uiso 1 1 calc R
C511 C 0.2422(12) 0.4112(14) 0.9502(12) 0.023(3) Uani 1 1 d U
C512 C 0.2050(14) 0.3405(16) 0.9637(14) 0.038(4) Uani 1 1 d U
H51A H 0.1744 0.2786 0.9146 0.046 Uiso 1 1 calc R
C513 C 0.2100(14) 0.3548(17) 1.0412(13) 0.041(4) Uani 1 1 d U
H51B H 0.1766 0.3043 1.0464 0.049 Uiso 1 1 calc R
C514 C 0.2602(14) 0.4379(17) 1.1157(14) 0.045(4) Uani 1 1 d U
H51C H 0.2691 0.4452 1.1716 0.053 Uiso 1 1 calc R
C515 C 0.2974(14) 0.5110(17) 1.1033(14) 0.043(4) Uani 1 1 d U
H51D H 0.3280 0.5720 1.1537 0.051 Uiso 1 1 calc R
C521 C 0.3420(12) 0.4361(13) 0.8410(13) 0.027(4) Uani 1 1 d U
C522 C 0.4023(12) 0.4297(13) 0.8871(12) 0.027(3) Uani 1 1 d U
H52A H 0.3885 0.4079 0.9252 0.033 Uiso 1 1 calc R
C523 C 0.4856(12) 0.4557(14) 0.8782(13) 0.031(3) Uani 1 1 d U
H52B H 0.5275 0.4495 0.9080 0.037 Uiso 1 1 calc R
C524 C 0.5025(14) 0.4887(14) 0.8271(13) 0.036(4) Uani 1 1 d U
H52C H 0.5576 0.5088 0.8203 0.043 Uiso 1 1 calc R
C525 C 0.4396(13) 0.4931(15) 0.7849(13) 0.038(4) Uani 1 1 d U
H52D H 0.4526 0.5189 0.7496 0.045 Uiso 1 1 calc R
C531 C 0.2081(14) 0.4832(15) 0.8464(13) 0.039(4) Uani 1 1 d U
C532 C 0.1286(13) 0.4573(15) 0.7943(13) 0.033(3) Uani 1 1 d U
H53A H 0.0904 0.3933 0.7567 0.040 Uiso 1 1 calc R
C533 C 0.1061(15) 0.5263(16) 0.7981(14) 0.045(4) Uani 1 1 d U
H53B H 0.0526 0.5073 0.7619 0.054 Uiso 1 1 calc R
C534 C 0.1573(14) 0.6190(16) 0.8512(14) 0.049(4) Uani 1 1 d U
H53C H 0.1419 0.6657 0.8541 0.059 Uiso 1 1 calc R
C535 C 0.2367(15) 0.6403(17) 0.9027(15) 0.052(4) Uani 1 1 d U
H53D H 0.2742 0.7042 0.9424 0.063 Uiso 1 1 calc R
C536 C 0.2634(15) 0.5740(15) 0.8988(14) 0.045(4) Uani 1 1 d U
H53E H 0.3181 0.5922 0.9319 0.054 Uiso 1 1 calc R
Cl1 Cl -0.2606(3) 0.0138(5) 0.5294(4) 0.059(2) Uani 1 1 d .
Cl2 Cl 0.1408(3) 0.0932(4) 0.8870(3) 0.0340(13) Uani 1 1 d .
Cl3 Cl -0.2674(5) -0.5024(5) -0.3550(5) 0.071(2) Uiso 1 1 d .
C1S C -0.380(2) -0.390(2) 0.7132(19) 0.086(10) Uiso 1 1 d .
H1SA H -0.3262 -0.3679 0.6995 0.103 Uiso 1 1 calc R
H1SB H -0.3875 -0.4477 0.7127 0.103 Uiso 1 1 calc R
Cl1S Cl -0.3759(10) -0.2956(11) 0.8270(10) 0.181(6) Uiso 1 1 d .
Cl2S Cl -0.4604(9) -0.4129(10) 0.6398(9) 0.159(5) Uiso 1 1 d .
C2S C -0.030(3) -0.392(3) -0.273(3) 0.133(15) Uiso 1 1 d .
O1S O -0.0800(14) -0.4833(16) -0.3031(14) 0.095(7) Uiso 1 1 d .
C3S C -0.381(3) -0.681(3) -0.597(3) 0.108(13) Uiso 1 1 d .
O2S O -0.3277(15) -0.6691(17) -0.5416(16) 0.103(8) Uiso 1 1 d .
O1W O -0.5631(16) -0.0849(18) 0.0926(17) 0.125(9) Uiso 1 1 d .
O2W O -0.435(3) -0.062(3) 0.017(3) 0.231(18) Uiso 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'
N N 0.0061 0.0033 '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
Au7 Au1 Au4 120.46(3) . .
Au7 Au1 Au2 64.23(3) . .
Au4 Au1 Au2 171.58(3) . .
Au7 Au1 Au6 170.23(3) . .
Au4 Au1 Au6 63.77(3) . .
Au2 Au1 Au6 110.45(3) . .
Au7 Au1 Au8 126.12(3) . .
Au4 Au1 Au8 64.92(3) . .
Au2 Au1 Au8 118.97(3) . .
Au6 Au1 Au8 63.43(2) . .
Au7 Au1 Au9 63.84(3) . .
Au4 Au1 Au9 125.03(3) . .
Au2 Au1 Au9 62.94(3) . .
Au6 Au1 Au9 122.14(3) . .
Au8 Au1 Au9 71.52(3) . .
Au7 Au1 Au3 108.77(3) . .
Au4 Au1 Au3 108.74(3) . .
Au2 Au1 Au3 62.87(3) . .
Au6 Au1 Au3 61.74(2) . .
Au8 Au1 Au3 119.83(3) . .
Au9 Au1 Au3 121.54(3) . .
Au7 Au1 Au10 70.51(3) . .
Au4 Au1 Au10 66.99(3) . .
Au2 Au1 Au10 121.29(3) . .
Au6 Au1 Au10 118.60(3) . .
Au8 Au1 Au10 63.87(3) . .
Au9 Au1 Au10 64.57(3) . .
Au3 Au1 Au10 173.19(3) . .
Au7 Au1 Au5 118.70(3) . .
Au4 Au1 Au5 117.62(3) . .
Au2 Au1 Au5 61.03(3) . .
Au6 Au1 Au5 61.33(3) . .
Au8 Au1 Au5 65.75(3) . .
Au9 Au1 Au5 68.27(3) . .
Au3 Au1 Au5 67.72(3) . .
Au10 Au1 Au5 118.77(3) . .
Au7 Au1 Au3 61.74(3) . 2_556
Au4 Au1 Au3 61.46(2) . 2_556
Au2 Au1 Au3 120.10(3) . 2_556
Au6 Au1 Au3 118.54(3) . 2_556
Au8 Au1 Au3 112.70(3) . 2_556
Au9 Au1 Au3 111.04(3) . 2_556
Au3 Au1 Au3 113.72(3) . 2_556
Au10 Au1 Au3 59.76(2) . 2_556
Au5 Au1 Au3 178.40(3) . 2_556
Au7 Au1 Au1 80.19(3) . 2_556
Au4 Au1 Au1 79.94(3) . 2_556
Au2 Au1 Au1 94.57(3) . 2_556
Au6 Au1 Au1 92.41(3) . 2_556
Au8 Au1 Au1 143.28(4) . 2_556
Au9 Au1 Au1 142.98(4) . 2_556
Au3 Au1 Au1 60.70(3) . 2_556
Au10 Au1 Au1 112.75(4) . 2_556
Au5 Au1 Au1 128.42(4) . 2_556
Au3 Au1 Au1 53.02(2) 2_556 2_556
N21 Au2 Au1 156.8(5) 2_556 .
N21 Au2 Au5 105.3(4) 2_556 .
Au1 Au2 Au5 61.37(3) . .
N21 Au2 Au3 98.7(5) 2_556 .
Au1 Au2 Au3 59.13(3) . .
Au5 Au2 Au3 66.49(3) . .
N21 Au2 Au9 136.5(5) 2_556 .
Au1 Au2 Au9 59.05(3) . .
Au5 Au2 Au9 66.97(3) . .
Au3 Au2 Au9 114.49(3) . .
N21 Au2 Au7 141.9(4) 2_556 .
Au1 Au2 Au7 56.79(2) . .
Au5 Au2 Au7 112.43(3) . .
Au3 Au2 Au7 100.65(3) . .
Au9 Au2 Au7 60.05(2) . .
N21 Au2 Au4 91.0(4) 2_556 2_556
Au1 Au2 Au4 83.95(3) . 2_556
Au5 Au2 Au4 126.60(3) . 2_556
Au3 Au2 Au4 60.86(2) . 2_556
Au9 Au2 Au4 129.00(3) . 2_556
Au7 Au2 Au4 70.75(3) . 2_556
Cl1 Au3 Au1 158.01(15) . .
Cl1 Au3 Au6 119.01(18) . .
Au1 Au3 Au6 58.58(2) . .
Cl1 Au3 Au2 105.67(18) . .
Au1 Au3 Au2 58.00(2) . .
Au6 Au3 Au2 104.23(3) . .
Cl1 Au3 Au10 78.28(14) . 2_556
Au1 Au3 Au10 122.20(3) . 2_556
Au6 Au3 Au10 124.06(3) . 2_556
Au2 Au3 Au10 122.52(3) . 2_556
Cl1 Au3 Au7 115.41(18) . 2_556
Au1 Au3 Au7 83.03(3) . 2_556
Au6 Au3 Au7 59.27(2) . 2_556
Au2 Au3 Au7 138.73(3) . 2_556
Au10 Au3 Au7 65.29(3) 2_556 2_556
Cl1 Au3 Au4 101.95(18) . 2_556
Au1 Au3 Au4 83.26(3) . 2_556
Au6 Au3 Au4 139.03(3) . 2_556
Au2 Au3 Au4 60.63(2) . 2_556
Au10 Au3 Au4 62.50(2) 2_556 2_556
Au7 Au3 Au4 105.22(3) 2_556 2_556
Cl1 Au3 Au1 133.84(14) . 2_556
Au1 Au3 Au1 66.28(3) . 2_556
Au6 Au3 Au1 93.94(3) . 2_556
Au2 Au3 Au1 95.16(3) . 2_556
Au10 Au3 Au1 55.96(2) 2_556 2_556
Au7 Au3 Au1 53.23(2) 2_556 2_556
Au4 Au3 Au1 54.01(2) 2_556 2_556
Cl1 Au3 Au5 102.06(14) . .
Au1 Au3 Au5 57.28(2) . .
Au6 Au3 Au5 56.89(2) . .
Au2 Au3 Au5 56.20(2) . .
Au10 Au3 Au5 178.72(3) 2_556 .
Au7 Au3 Au5 115.52(3) 2_556 .
Au4 Au3 Au5 116.22(3) 2_556 .
Au1 Au3 Au5 123.56(3) 2_556 .
P2 Au4 Au1 179.14(12) . .
P2 Au4 Au6 122.05(12) . .
Au1 Au4 Au6 58.60(2) . .
P2 Au4 Au8 122.55(12) . .
Au1 Au4 Au8 58.18(3) . .
Au6 Au4 Au8 59.55(2) . .
P2 Au4 Au2 78.46(12) . 2_556
Au1 Au4 Au2 100.85(3) . 2_556
Au6 Au4 Au2 107.38(3) . 2_556
Au8 Au4 Au2 158.56(4) . 2_556
P2 Au4 Au3 114.62(12) . 2_556
Au1 Au4 Au3 64.53(3) . 2_556
Au6 Au4 Au3 116.73(3) . 2_556
Au8 Au4 Au3 109.92(3) . 2_556
Au2 Au4 Au3 58.50(2) 2_556 2_556
P2 Au4 Au10 122.19(13) . .
Au1 Au4 Au10 57.63(2) . .
Au6 Au4 Au10 106.86(3) . .
Au8 Au4 Au10 58.75(2) . .
Au2 Au4 Au10 116.03(3) 2_556 .
Au3 Au4 Au10 58.06(2) 2_556 .
P2 Au4 Au7 103.68(13) . 2_556
Au1 Au4 Au7 76.24(3) . 2_556
Au6 Au4 Au7 53.68(2) . 2_556
Au8 Au4 Au7 111.75(3) . 2_556
Au2 Au4 Au7 53.80(2) 2_556 2_556
Au3 Au4 Au7 88.83(3) 2_556 2_556
Au10 Au4 Au7 130.85(3) . 2_556
P3 Au5 Au2 127.75(14) . .
P3 Au5 Au1 173.78(15) . .
Au2 Au5 Au1 57.60(2) . .
P3 Au5 Au6 120.22(13) . .
Au2 Au5 Au6 104.59(3) . .
Au1 Au5 Au6 57.49(2) . .
P3 Au5 Au8 118.19(14) . .
Au2 Au5 Au8 107.09(3) . .
Au1 Au5 Au8 55.59(2) . .
Au6 Au5 Au8 58.57(3) . .
P3 Au5 Au3 129.60(14) . .
Au2 Au5 Au3 57.31(2) . .
Au1 Au5 Au3 54.99(2) . .
Au6 Au5 Au3 56.20(2) . .
Au8 Au5 Au3 101.47(3) . .
P3 Au5 Au9 124.04(13) . .
Au2 Au5 Au9 57.08(2) . .
Au1 Au5 Au9 54.69(2) . .
Au6 Au5 Au9 106.77(3) . .
Au8 Au5 Au9 62.76(2) . .
Au3 Au5 Au9 100.62(3) . .
P1 Au6 Au1 175.51(13) . .
P1 Au6 Au3 118.76(14) . .
Au1 Au6 Au3 59.67(2) . .
P1 Au6 Au5 122.66(14) . .
Au1 Au6 Au5 61.18(2) . .
Au3 Au6 Au5 66.91(3) . .
P1 Au6 Au7 90.38(12) . 2_556
Au1 Au6 Au7 85.20(3) . 2_556
Au3 Au6 Au7 62.30(3) . 2_556
Au5 Au6 Au7 128.39(3) . 2_556
P1 Au6 Au4 120.14(15) . .
Au1 Au6 Au4 57.63(2) . .
Au3 Au6 Au4 102.66(3) . .
Au5 Au6 Au4 112.16(3) . .
Au7 Au6 Au4 71.92(3) 2_556 .
P1 Au6 Au8 124.67(13) . .
Au1 Au6 Au8 58.45(2) . .
Au3 Au6 Au8 113.45(3) . .
Au5 Au6 Au8 63.97(3) . .
Au7 Au6 Au8 130.83(3) 2_556 .
Au4 Au6 Au8 61.11(3) . .
N11 Au7 Au1 170.4(4) 2_556 .
N11 Au7 Au6 87.0(4) 2_556 2_556
Au1 Au7 Au6 101.48(3) . 2_556
N11 Au7 Au2 114.1(4) 2_556 .
Au1 Au7 Au2 58.98(2) . .
Au6 Au7 Au2 109.74(3) 2_556 .
N11 Au7 Au9 111.6(4) 2_556 .
Au1 Au7 Au9 59.69(2) . .
Au6 Au7 Au9 161.00(3) 2_556 .
Au2 Au7 Au9 59.93(2) . .
N11 Au7 Au3 124.0(4) 2_556 2_556
Au1 Au7 Au3 65.03(3) . 2_556
Au6 Au7 Au3 58.43(2) 2_556 2_556
Au2 Au7 Au3 118.38(3) . 2_556
Au9 Au7 Au3 110.43(3) . 2_556
N11 Au7 Au10 124.1(4) 2_556 .
Au1 Au7 Au10 56.37(2) . .
Au6 Au7 Au10 114.78(3) 2_556 .
Au2 Au7 Au10 105.84(3) . .
Au9 Au7 Au10 58.71(2) . .
Au3 Au7 Au10 56.77(2) 2_556 .
N11 Au7 Au4 105.0(4) 2_556 2_556
Au1 Au7 Au4 77.00(2) . 2_556
Au6 Au7 Au4 54.40(2) 2_556 2_556
Au2 Au7 Au4 55.45(2) . 2_556
Au9 Au7 Au4 114.05(3) . 2_556
Au3 Au7 Au4 89.68(3) 2_556 2_556
Au10 Au7 Au4 130.04(3) . 2_556
Cl2 Au8 Au1 172.85(15) . .
Cl2 Au8 Au6 122.61(12) . .
Au1 Au8 Au6 58.12(2) . .
Cl2 Au8 Au10 124.13(13) . .
Au1 Au8 Au10 58.61(2) . .
Au6 Au8 Au10 109.57(3) . .
Cl2 Au8 Au4 130.12(14) . .
Au1 Au8 Au4 56.91(2) . .
Au6 Au8 Au4 59.33(2) . .
Au10 Au8 Au4 62.35(2) . .
Cl2 Au8 Au5 115.06(14) . .
Au1 Au8 Au5 58.66(2) . .
Au6 Au8 Au5 57.45(3) . .
Au10 Au8 Au5 108.59(3) . .
Au4 Au8 Au5 105.58(3) . .
Cl2 Au8 Au9 120.25(13) . .
Au1 Au8 Au9 54.51(2) . .
Au6 Au8 Au9 104.04(3) . .
Au10 Au8 Au9 57.39(2) . .
Au4 Au8 Au9 104.21(3) . .
Au5 Au8 Au9 60.33(2) . .
P5 Au9 Au1 175.27(13) . .
P5 Au9 Au2 124.91(15) . .
Au1 Au9 Au2 58.02(2) . .
P5 Au9 Au7 127.88(12) . .
Au1 Au9 Au7 56.47(2) . .
Au2 Au9 Au7 60.02(2) . .
P5 Au9 Au10 120.94(14) . .
Au1 Au9 Au10 57.94(2) . .
Au2 Au9 Au10 110.96(3) . .
Au7 Au9 Au10 65.23(3) . .
P5 Au9 Au5 120.64(13) . .
Au1 Au9 Au5 57.04(2) . .
Au2 Au9 Au5 55.94(2) . .
Au7 Au9 Au5 103.84(3) . .
Au10 Au9 Au5 104.71(3) . .
P5 Au9 Au8 121.35(13) . .
Au1 Au9 Au8 53.97(2) . .
Au2 Au9 Au8 101.48(3) . .
Au7 Au9 Au8 104.63(3) . .
Au10 Au9 Au8 56.24(2) . .
Au5 Au9 Au8 56.91(2) . .
P4 Au10 Au1 176.74(14) . .
P4 Au10 Au3 118.00(13) . 2_556
Au1 Au10 Au3 64.28(3) . 2_556
P4 Au10 Au8 122.05(13) . .
Au1 Au10 Au8 57.52(2) . .
Au3 Au10 Au8 111.24(3) 2_556 .
P4 Au10 Au9 119.26(14) . .
Au1 Au10 Au9 57.49(2) . .
Au3 Au10 Au9 109.08(3) 2_556 .
Au8 Au10 Au9 66.37(3) . .
P4 Au10 Au4 127.57(14) . .
Au1 Au10 Au4 55.38(2) . .
Au3 Au10 Au4 59.44(2) 2_556 .
Au8 Au10 Au4 58.90(2) . .
Au9 Au10 Au4 108.30(3) . .
P4 Au10 Au7 125.55(14) . .
Au1 Au10 Au7 53.12(2) . .
Au3 Au10 Au7 57.94(2) 2_556 .
Au8 Au10 Au7 105.36(3) . .
Au9 Au10 Au7 56.06(2) . .
Au4 Au10 Au7 98.20(3) . .
C131 P1 C111 101.7(12) . .
C131 P1 C121 105.3(13) . .
C111 P1 C121 107.0(11) . .
C131 P1 Au6 114.6(9) . .
C111 P1 Au6 112.5(6) . .
C121 P1 Au6 114.6(8) . .
C221 P2 C211 108.9(10) . .
C221 P2 C231 101.9(10) . .
C211 P2 C231 100.8(10) . .
C221 P2 Au4 114.6(8) . .
C211 P2 Au4 110.4(7) . .
C231 P2 Au4 119.0(8) . .
C331 P3 C321 100.7(10) . .
C331 P3 C311 102.5(10) . .
C321 P3 C311 104.9(10) . .
C331 P3 Au5 116.8(8) . .
C321 P3 Au5 115.7(7) . .
C311 P3 Au5 114.3(6) . .
C411 P4 C431 105.7(10) . .
C411 P4 C421 100.1(9) . .
C431 P4 C421 104.2(10) . .
C411 P4 Au10 113.3(7) . .
C431 P4 Au10 114.3(8) . .
C421 P4 Au10 117.6(7) . .
C531 P5 C521 100.9(10) . .
C531 P5 C511 106.6(10) . .
C521 P5 C511 103.2(9) . .
C531 P5 Au9 114.4(7) . .
C521 P5 Au9 114.5(6) . .
C511 P5 Au9 115.7(7) . .
C115 N11 C111 119.3(16) . .
C115 N11 Au7 113.4(11) . 2_556
C111 N11 Au7 127.0(13) . 2_556
C121 N12 C125 111(2) . .
C215 N21 C211 114.9(19) . .
C215 N21 Au2 122.7(15) . 2_556
C211 N21 Au2 121.6(14) . 2_556
C221 N22 C225 116.6(19) . .
C311 N31 C315 113.3(17) . .
C321 N32 C325 119(2) . .
C415 N41 C411 120(2) . .
C421 N42 C425 117(2) . .
C515 N51 C511 115.6(18) . .
C521 N52 C525 119(2) . .
N11 C111 C112 117.6(18) . .
N11 C111 P1 120.7(14) . .
C112 C111 P1 121.3(15) . .
C113 C112 C111 121.2(19) . .
C112 C113 C114 119(2) . .
C115 C114 C113 116(2) . .
N11 C115 C114 126.1(18) . .
C122 C121 N12 133(2) . .
C122 C121 P1 113.4(16) . .
N12 C121 P1 113.0(17) . .
C121 C122 C123 115(2) . .
C124 C123 C122 112(2) . .
C125 C124 C123 134(2) . .
C124 C125 N12 115(2) . .
C132 C131 C136 119(3) . .
C132 C131 P1 116.5(19) . .
C136 C131 P1 125(2) . .
C131 C132 C133 125(3) . .
C134 C133 C132 124(4) . .
C133 C134 C135 113(3) . .
C134 C135 C136 125(3) . .
C131 C136 C135 114(3) . .
N21 C211 C212 124.7(18) . .
N21 C211 P2 114.7(16) . .
C212 C211 P2 120.5(15) . .
C213 C212 C211 115(2) . .
C214 C213 C212 121(2) . .
C215 C214 C213 116.2(19) . .
N21 C215 C214 128(2) . .
C222 C221 N22 120.1(19) . .
C222 C221 P2 120.9(17) . .
N22 C221 P2 118.8(17) . .
C223 C222 C221 121(2) . .
C224 C223 C222 121(2) . .
C223 C224 C225 121(2) . .
C224 C225 N22 119.4(19) . .
C232 C231 C236 127(2) . .
C232 C231 P2 111.9(19) . .
C236 C231 P2 120.7(16) . .
C231 C232 C233 118(2) . .
C234 C233 C232 120(2) . .
C235 C234 C233 122(2) . .
C234 C235 C236 120(2) . .
C231 C236 C235 114(2) . .
C312 C311 N31 123(2) . .
C312 C311 P3 126.2(18) . .
N31 C311 P3 110.7(15) . .
C311 C312 C313 120(2) . .
C314 C313 C312 120(2) . .
C313 C314 C315 120(2) . .
C314 C315 N31 124(2) . .
N32 C321 C322 120(2) . .
N32 C321 P3 119.7(16) . .
C322 C321 P3 120.4(17) . .
C323 C322 C321 121(2) . .
C324 C323 C322 119(3) . .
C323 C324 C325 122(3) . .
C324 C325 N32 119(3) . .
C336 C331 C332 117.3(19) . .
C336 C331 P3 121.4(18) . .
C332 C331 P3 121.3(16) . .
C333 C332 C331 120(2) . .
C332 C333 C334 121(3) . .
C335 C334 C333 122(3) . .
C334 C335 C336 125(2) . .
C331 C336 C335 113(2) . .
C412 C411 N41 116.6(19) . .
C412 C411 P4 122.0(16) . .
N41 C411 P4 121.4(16) . .
C413 C412 C411 124(2) . .
C412 C413 C414 118(2) . .
C413 C414 C415 118(2) . .
N41 C415 C414 124(2) . .
N42 C421 C422 122(2) . .
N42 C421 P4 112.2(17) . .
C422 C421 P4 125.4(16) . .
C423 C422 C421 123(2) . .
C422 C423 C424 119(2) . .
C425 C424 C423 114(2) . .
C424 C425 N42 124(2) . .
C436 C431 C432 117(2) . .
C436 C431 P4 124.3(19) . .
C432 C431 P4 118.9(16) . .
C433 C432 C431 122(2) . .
C432 C433 C434 114(2) . .
C435 C434 C433 122(2) . .
C434 C435 C436 123(2) . .
C435 C436 C431 122(2) . .
C512 C511 N51 119.3(17) . .
C512 C511 P5 123.4(17) . .
N51 C511 P5 117.2(13) . .
C513 C512 C511 122(2) . .
C512 C513 C514 124(2) . .
C513 C514 C515 114(2) . .
C514 C515 N51 124(2) . .
N52 C521 C522 121(2) . .
N52 C521 P5 117.5(17) . .
C522 C521 P5 121.7(16) . .
C521 C522 C523 120.2(19) . .
C524 C523 C522 118(2) . .
C523 C524 C525 118(2) . .
C524 C525 N52 124(2) . .
C536 C531 C532 120(2) . .
C536 C531 P5 120.5(19) . .
C532 C531 P5 119.0(17) . .
C533 C532 C531 120(2) . .
C534 C533 C532 123(2) . .
C533 C534 C535 114(2) . .
C536 C535 C534 125(2) . .
C531 C536 C535 117(2) . .
Cl2S C1S Cl1S 108(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 Au7 2.6438(9) .
Au1 Au4 2.6814(10) .
Au1 Au2 2.7081(10) .
Au1 Au6 2.7098(9) .
Au1 Au8 2.7195(9) .
Au1 Au9 2.7380(10) .
Au1 Au3 2.7407(10) .
Au1 Au10 2.7519(10) .
Au1 Au5 2.8153(10) .
Au1 Au3 2.9919(10) 2_556
Au1 Au1 3.1411(13) 2_556
Au2 N21 2.152(18) 2_556
Au2 Au5 2.8059(10) .
Au2 Au3 2.8418(10) .
Au2 Au9 2.8432(10) .
Au2 Au7 2.8457(10) .
Au2 Au4 2.9046(10) 2_556
Au3 Cl1 2.375(6) .
Au3 Au6 2.7970(10) .
Au3 Au10 2.8691(10) 2_556
Au3 Au7 2.9068(11) 2_556
Au3 Au4 2.9111(9) 2_556
Au3 Au1 2.9919(10) 2_556
Au3 Au5 3.0964(10) .
Au4 P2 2.284(5) .
Au4 Au6 2.8477(10) .
Au4 Au8 2.8987(10) .
Au4 Au2 2.9046(10) 2_556
Au4 Au3 2.9111(9) 2_556
Au4 Au10 2.9989(10) .
Au4 Au7 3.3293(10) 2_556
Au5 P3 2.294(5) .
Au5 Au6 2.8193(11) .
Au5 Au8 3.0055(11) .
Au5 Au9 3.1170(10) .
Au6 P1 2.275(5) .
Au6 Au7 2.8220(10) 2_556
Au6 Au8 2.8540(10) .
Au7 N11 2.222(13) 2_556
Au7 Au6 2.8220(10) 2_556
Au7 Au9 2.8467(9) .
Au7 Au3 2.9068(11) 2_556
Au7 Au10 3.1159(11) .
Au7 Au4 3.3293(10) 2_556
Au8 Cl2 2.365(5) .
Au8 Au10 2.8943(10) .
Au8 Au9 3.1893(10) .
Au9 P5 2.270(5) .
Au9 Au10 2.9324(11) .
Au10 P4 2.312(5) .
Au10 Au3 2.8691(10) 2_556
P1 C131 1.79(3) .
P1 C111 1.81(2) .
P1 C121 1.85(2) .
P2 C221 1.81(2) .
P2 C211 1.87(2) .
P2 C231 1.92(2) .
P3 C331 1.77(2) .
P3 C321 1.78(2) .
P3 C311 1.84(2) .
P4 C411 1.80(2) .
P4 C431 1.81(2) .
P4 C421 1.83(2) .
P5 C531 1.78(3) .
P5 C521 1.80(2) .
P5 C511 1.807(17) .
N11 C115 1.32(2) .
N11 C111 1.35(2) .
N11 Au7 2.222(13) 2_556
N12 C121 1.33(3) .
N12 C125 1.44(3) .
N21 C215 1.29(2) .
N21 C211 1.35(3) .
N21 Au2 2.152(18) 2_556
N22 C221 1.38(3) .
N22 C225 1.46(2) .
N31 C311 1.36(3) .
N31 C315 1.39(2) .
N32 C321 1.35(3) .
N32 C325 1.39(3) .
N41 C415 1.26(3) .
N41 C411 1.41(3) .
N42 C421 1.29(3) .
N42 C425 1.40(3) .
N51 C515 1.39(3) .
N51 C511 1.39(2) .
N52 C521 1.26(3) .
N52 C525 1.35(3) .
C111 C112 1.40(3) .
C112 C113 1.35(3) .
C113 C114 1.39(3) .
C114 C115 1.32(3) .
C121 C122 1.31(3) .
C122 C123 1.43(3) .
C123 C124 1.32(3) .
C124 C125 1.30(3) .
C131 C132 1.31(4) .
C131 C136 1.32(3) .
C132 C133 1.40(4) .
C133 C134 1.23(3) .
C134 C135 1.39(4) .
C135 C136 1.51(4) .
C211 C212 1.42(3) .
C212 C213 1.40(3) .
C213 C214 1.39(3) .
C214 C215 1.37(3) .
C221 C222 1.37(3) .
C222 C223 1.36(3) .
C223 C224 1.30(3) .
C224 C225 1.37(3) .
C231 C232 1.24(3) .
C231 C236 1.37(3) .
C232 C233 1.35(3) .
C233 C234 1.35(3) .
C234 C235 1.29(3) .
C235 C236 1.41(3) .
C311 C312 1.34(3) .
C312 C313 1.36(3) .
C313 C314 1.31(3) .
C314 C315 1.32(3) .
C321 C322 1.38(3) .
C322 C323 1.34(3) .
C323 C324 1.34(4) .
C324 C325 1.37(4) .
C331 C336 1.38(3) .
C331 C332 1.49(3) .
C332 C333 1.32(3) .
C333 C334 1.33(3) .
C334 C335 1.20(3) .
C335 C336 1.49(3) .
C411 C412 1.40(3) .
C412 C413 1.34(3) .
C413 C414 1.40(3) .
C414 C415 1.41(3) .
C421 C422 1.33(3) .
C422 C423 1.30(3) .
C423 C424 1.46(3) .
C424 C425 1.34(3) .
C431 C436 1.32(3) .
C431 C432 1.40(3) .
C432 C433 1.39(3) .
C433 C434 1.42(3) .
C434 C435 1.26(3) .
C435 C436 1.32(3) .
C511 C512 1.36(3) .
C512 C513 1.29(3) .
C513 C514 1.36(3) .
C514 C515 1.39(3) .
C521 C522 1.37(3) .
C522 C523 1.42(3) .
C523 C524 1.32(3) .
C524 C525 1.34(3) .
C531 C536 1.35(3) .
C531 C532 1.41(3) .
C532 C533 1.41(3) .
C533 C534 1.36(3) .
C534 C535 1.44(3) .
C535 C536 1.40(3) .
C1S Cl2S 1.66(3) .
C1S Cl1S 1.94(3) .
C2S O1S 1.36(4) .
C3S O2S 1.20(4) .
