#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/23/4062345.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_4062345
loop_
_publ_author_name
'H. Schmidbaur'
'B. Djordjevic'
'K. A. Porter'
'A. Schier'
'S. Nogai'
_publ_section_title
;
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of
2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C62 H50 Au3 B F4 N O2 P3 S'
_chemical_formula_weight         1643.71
_chemical_name_common            {[(Ph3P)Au]2C(SO2Ph)CN[Au(PPh3)]}+BF4-
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.9539(4)
_cell_angle_beta                 96.8981(5)
_cell_angle_gamma                104.3732(9)
_cell_formula_units_Z            4
_cell_length_a                   18.1884(2)
_cell_length_b                   20.3524(2)
_cell_length_c                   22.4324(3)
_cell_measurement_temperature    143(2)
_cell_volume                     7309.09(15)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.494
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4062345
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
F1 F 0.1119(5) 0.2752(4) 0.3689(5) 0.155(4) Uani 1 1 d . . .
B1 B 0.1715(9) 0.2635(7) 0.3441(8) 0.089(4) Uani 1 1 d . . .
Au1 Au 0.287413(13) 0.851907(12) 0.452510(11) 0.02899(6) Uani 1 1 d . . .
P1 P 0.33423(9) 0.94796(9) 0.55257(8) 0.0316(3) Uani 1 1 d . . .
S1 S 0.19521(8) 0.77926(8) 0.29660(7) 0.0292(3) Uani 1 1 d . . .
F2 F 0.2130(3) 0.3248(3) 0.3353(3) 0.0862(17) Uani 1 1 d . . .
B2 B 0.3208(9) 0.8897(15) 0.8714(8) 0.136(8) Uani 1 1 d . . .
Au2 Au 0.152040(12) 0.723163(12) 0.406995(10) 0.02592(6) Uani 1 1 d . . .
P2 P 0.06180(9) 0.70472(8) 0.46618(7) 0.0265(3) Uani 1 1 d . . .
S2 S -0.16085(9) 0.67975(9) 0.20360(8) 0.0386(4) Uani 1 1 d . . .
F3 F 0.1402(4) 0.2058(4) 0.2785(4) 0.137(3) Uani 1 1 d . . .
Au3 Au 0.065399(14) 0.582063(12) 0.289676(11) 0.03046(6) Uani 1 1 d . . .
P3 P 0.11576(10) 0.49376(9) 0.29514(8) 0.0320(3) Uani 1 1 d . . .
P4 P 0.54824(11) 0.67210(12) 0.27815(10) 0.0557(6) Uani 1 1 d . . .
F4 F 0.2242(5) 0.2406(4) 0.3738(4) 0.138(3) Uani 1 1 d . . .
Au4 Au 0.430413(15) 0.671326(15) 0.298486(15) 0.04909(8) Uani 1 1 d . . .
F5 F 0.3025(8) 0.9358(12) 0.8454(8) 0.302(10) Uani 1 1 d . . .
Au5 Au -0.028249(14) 0.698085(12) 0.119199(11) 0.02999(6) Uani 1 1 d . . .
P5 P 0.00273(10) 0.68718(9) 0.02172(8) 0.0319(3) Uani 1 1 d . . .
F6 F 0.2692(6) 0.8193(9) 0.8418(5) 0.274(9) Uani 1 1 d . . .
Au6 Au -0.015110(15) 0.825191(13) 0.237474(11) 0.03311(6) Uani 1 1 d . . .
P6 P 0.03818(11) 0.94583(9) 0.25597(8) 0.0358(4) Uani 1 1 d . . .
F7 F 0.3944(5) 0.8883(6) 0.8636(5) 0.169(4) Uani 1 1 d . . .
F8 F 0.3204(5) 0.9236(6) 0.9360(4) 0.179(4) Uani 1 1 d . . .
O11 O 0.1391(2) 0.8151(2) 0.3191(2) 0.0338(10) Uani 1 1 d . . .
C11 C 0.2378(3) 0.7605(3) 0.3607(3) 0.0277(13) Uani 1 1 d . . .
N11 N 0.3297(3) 0.6847(3) 0.3232(3) 0.0419(14) Uani 1 1 d . . .
O12 O 0.1702(2) 0.7130(2) 0.2361(2) 0.0395(11) Uani 1 1 d . . .
C12 C 0.2880(3) 0.7190(3) 0.3394(3) 0.0307(13) Uani 1 1 d . . .
C13 C 0.2717(3) 0.8448(3) 0.2850(3) 0.0310(13) Uani 1 1 d . . .
C14 C 0.3137(4) 0.8180(4) 0.2395(3) 0.0394(15) Uani 1 1 d . . .
H14A H 0.3040 0.7664 0.2161 0.047 Uiso 1 1 calc R . .
C15 C 0.3708(4) 0.8706(4) 0.2298(4) 0.0493(18) Uani 1 1 d . . .
H15A H 0.3993 0.8539 0.1978 0.059 Uiso 1 1 calc R . .
C16 C 0.3874(4) 0.9451(4) 0.2645(4) 0.0511(19) Uani 1 1 d . . .
H16A H 0.4278 0.9792 0.2573 0.061 Uiso 1 1 calc R . .
C17 C 0.3455(4) 0.9701(4) 0.3096(4) 0.0484(18) Uani 1 1 d . . .
H17A H 0.3574 1.0219 0.3342 0.058 Uiso 1 1 calc R . .
C18 C 0.2846(4) 0.9196(3) 0.3198(3) 0.0377(15) Uani 1 1 d . . .
H18A H 0.2536 0.9365 0.3495 0.045 Uiso 1 1 calc R . .
O21 O -0.1990(3) 0.7060(3) 0.1608(3) 0.0569(14) Uani 1 1 d . . .
C21 C -0.0603(3) 0.7100(3) 0.2097(3) 0.0297(13) Uani 1 1 d . . .
N21 N 0.0087(3) 0.6501(3) 0.2707(2) 0.0312(11) Uani 1 1 d . . .
O22 O -0.1757(3) 0.6975(3) 0.2682(2) 0.0499(13) Uani 1 1 d . . .
C22 C -0.0219(3) 0.6784(3) 0.2442(3) 0.0279(13) Uani 1 1 d . . .
C23 C -0.1884(4) 0.5817(4) 0.1643(4) 0.0450(18) Uani 1 1 d . . .
C24 C -0.1923(5) 0.5404(4) 0.2026(4) 0.058(2) Uani 1 1 d . . .
H24A H -0.1819 0.5644 0.2491 0.069 Uiso 1 1 calc R . .
C25 C -0.2114(5) 0.4642(5) 0.1724(6) 0.076(3) Uani 1 1 d . . .
H25A H -0.2136 0.4360 0.1983 0.091 Uiso 1 1 calc R . .
C26 C -0.2268(5) 0.4293(6) 0.1066(6) 0.087(3) Uani 1 1 d . . .
H26A H -0.2384 0.3770 0.0865 0.104 Uiso 1 1 calc R . .
C27 C -0.2258(5) 0.4695(6) 0.0683(5) 0.076(3) Uani 1 1 d . . .
H27A H -0.2388 0.4440 0.0219 0.091 Uiso 1 1 calc R . .
C28 C -0.2062(4) 0.5471(5) 0.0962(4) 0.061(2) Uani 1 1 d . . .
H28A H -0.2051 0.5747 0.0698 0.073 Uiso 1 1 calc R . .
C111 C 0.2595(3) 0.9877(3) 0.5792(3) 0.0319(13) Uani 1 1 d . . .
C112 C 0.2714(4) 1.0644(4) 0.6086(3) 0.0432(16) Uani 1 1 d . . .
H11A H 0.3208 1.0986 0.6144 0.052 Uiso 1 1 calc R . .
C113 C 0.2107(5) 1.0902(4) 0.6291(3) 0.0460(17) Uani 1 1 d . . .
H11B H 0.2185 1.1420 0.6481 0.055 Uiso 1 1 calc R . .
C114 C 0.1407(5) 1.0420(5) 0.6222(4) 0.0522(19) Uani 1 1 d . . .
H11C H 0.1001 1.0604 0.6371 0.063 Uiso 1 1 calc R . .
C115 C 0.1275(4) 0.9672(4) 0.5942(4) 0.0530(19) Uani 1 1 d . . .
H11D H 0.0779 0.9341 0.5894 0.064 Uiso 1 1 calc R . .
C116 C 0.1869(4) 0.9392(4) 0.5726(3) 0.0408(16) Uani 1 1 d . . .
H11E H 0.1777 0.8872 0.5534 0.049 Uiso 1 1 calc R . .
C121 C 0.4119(4) 1.0245(3) 0.5535(3) 0.0346(14) Uani 1 1 d . . .
C122 C 0.4743(4) 1.0675(4) 0.6074(3) 0.0441(17) Uani 1 1 d . . .
H12A H 0.4799 1.0550 0.6443 0.053 Uiso 1 1 calc R . .
C123 C 0.5287(4) 1.1292(4) 0.6070(4) 0.0470(18) Uani 1 1 d . . .
H12B H 0.5710 1.1589 0.6440 0.056 Uiso 1 1 calc R . .
C124 C 0.5219(4) 1.1470(4) 0.5545(3) 0.0434(17) Uani 1 1 d . . .
H12C H 0.5588 1.1898 0.5553 0.052 Uiso 1 1 calc R . .
C125 C 0.4607(4) 1.1031(4) 0.4988(4) 0.0450(17) Uani 1 1 d . . .
H12D H 0.4560 1.1152 0.4617 0.054 Uiso 1 1 calc R . .
C126 C 0.4066(4) 1.0407(4) 0.4992(3) 0.0389(15) Uani 1 1 d . . .
H12E H 0.3658 1.0094 0.4614 0.047 Uiso 1 1 calc R . .
C131 C 0.3700(4) 0.9247(3) 0.6187(3) 0.0351(14) Uani 1 1 d . . .
C132 C 0.4049(4) 0.8689(4) 0.6060(3) 0.0427(16) Uani 1 1 d . . .
H13A H 0.4069 0.8410 0.5623 0.051 Uiso 1 1 calc R . .
C133 C 0.4369(5) 0.8543(5) 0.6577(4) 0.058(2) Uani 1 1 d . . .
H13B H 0.4623 0.8175 0.6492 0.070 Uiso 1 1 calc R . .
C134 C 0.4320(4) 0.8926(4) 0.7210(4) 0.055(2) Uani 1 1 d . . .
H13C H 0.4536 0.8821 0.7559 0.065 Uiso 1 1 calc R . .
C135 C 0.3955(5) 0.9463(4) 0.7331(4) 0.056(2) Uani 1 1 d . . .
H13D H 0.3915 0.9723 0.7766 0.067 Uiso 1 1 calc R . .
C136 C 0.3644(4) 0.9629(4) 0.6826(3) 0.0466(17) Uani 1 1 d . . .
H13E H 0.3394 1.0000 0.6915 0.056 Uiso 1 1 calc R . .
C211 C -0.0115(3) 0.6142(3) 0.4311(3) 0.0300(13) Uani 1 1 d . . .
C212 C 0.0068(4) 0.5556(3) 0.4400(3) 0.0344(14) Uani 1 1 d . . .
H21A H 0.0555 0.5640 0.4669 0.041 Uiso 1 1 calc R . .
C213 C -0.0462(4) 0.4847(3) 0.4096(3) 0.0418(16) Uani 1 1 d . . .
H21B H -0.0333 0.4446 0.4153 0.050 Uiso 1 1 calc R . .
C214 C -0.1178(4) 0.4720(4) 0.3709(3) 0.0391(15) Uani 1 1 d . . .
H21C H -0.1543 0.4235 0.3505 0.047 Uiso 1 1 calc R . .
C215 C -0.1355(4) 0.5299(4) 0.3624(3) 0.0418(16) Uani 1 1 d . . .
H21D H -0.1846 0.5215 0.3360 0.050 Uiso 1 1 calc R . .
C216 C -0.0825(3) 0.6008(3) 0.3918(3) 0.0341(14) Uani 1 1 d . . .
H21E H -0.0952 0.6404 0.3848 0.041 Uiso 1 1 calc R . .
C221 C 0.1051(4) 0.7185(3) 0.5488(3) 0.0296(13) Uani 1 1 d . . .
C222 C 0.0595(4) 0.6958(3) 0.5880(3) 0.0343(14) Uani 1 1 d . . .
H22A H 0.0051 0.6715 0.5708 0.041 Uiso 1 1 calc R . .
C223 C 0.0921(4) 0.7081(3) 0.6513(3) 0.0370(15) Uani 1 1 d . . .
H22B H 0.0605 0.6921 0.6773 0.044 Uiso 1 1 calc R . .
C224 C 0.1715(4) 0.7441(4) 0.6766(3) 0.0425(16) Uani 1 1 d . . .
H22C H 0.1944 0.7532 0.7203 0.051 Uiso 1 1 calc R . .
C225 C 0.2178(4) 0.7667(4) 0.6378(3) 0.0437(17) Uani 1 1 d . . .
H22D H 0.2722 0.7912 0.6551 0.052 Uiso 1 1 calc R . .
C226 C 0.1842(3) 0.7533(3) 0.5741(3) 0.0319(13) Uani 1 1 d . . .
H22E H 0.2159 0.7682 0.5475 0.038 Uiso 1 1 calc R . .
C231 C 0.0068(3) 0.7690(3) 0.4720(3) 0.0291(13) Uani 1 1 d . . .
C232 C 0.0020(4) 0.7957(4) 0.4239(3) 0.0432(17) Uani 1 1 d . . .
H23A H 0.0308 0.7841 0.3911 0.052 Uiso 1 1 calc R . .
C233 C -0.0455(5) 0.8399(5) 0.4234(4) 0.057(2) Uani 1 1 d . . .
H23B H -0.0509 0.8566 0.3891 0.069 Uiso 1 1 calc R . .
C234 C -0.0844(5) 0.8593(5) 0.4727(4) 0.058(2) Uani 1 1 d . . .
H23C H -0.1158 0.8903 0.4728 0.069 Uiso 1 1 calc R . .
C235 C -0.0779(4) 0.8343(4) 0.5214(3) 0.0490(19) Uani 1 1 d . . .
H23D H -0.1041 0.8491 0.5557 0.059 Uiso 1 1 calc R . .
C236 C -0.0338(4) 0.7877(4) 0.5215(3) 0.0365(15) Uani 1 1 d . . .
H23E H -0.0312 0.7689 0.5546 0.044 Uiso 1 1 calc R . .
C311 C 0.1959(4) 0.4896(3) 0.2545(3) 0.0360(15) Uani 1 1 d . . .
C312 C 0.2041(4) 0.5203(4) 0.2093(3) 0.0490(18) Uani 1 1 d . . .
H31A H 0.1687 0.5450 0.2008 0.059 Uiso 1 1 calc R . .
C313 C 0.2633(5) 0.5157(5) 0.1758(4) 0.068(2) Uani 1 1 d . . .
H31B H 0.2679 0.5367 0.1442 0.081 Uiso 1 1 calc R . .
C314 C 0.3164(6) 0.4801(5) 0.1888(4) 0.072(3) Uani 1 1 d . . .
H31C H 0.3577 0.4778 0.1667 0.086 Uiso 1 1 calc R . .
C315 C 0.3083(6) 0.4490(5) 0.2330(5) 0.079(3) Uani 1 1 d . . .
H31D H 0.3437 0.4241 0.2412 0.095 Uiso 1 1 calc R . .
C316 C 0.2481(5) 0.4532(5) 0.2668(4) 0.063(2) Uani 1 1 d . . .
H31E H 0.2429 0.4314 0.2978 0.076 Uiso 1 1 calc R . .
C321 C 0.1572(4) 0.5073(3) 0.3778(3) 0.0325(14) Uani 1 1 d . . .
C322 C 0.2121(4) 0.5756(4) 0.4176(3) 0.0400(15) Uani 1 1 d . . .
H32A H 0.2280 0.6116 0.4002 0.048 Uiso 1 1 calc R . .
C323 C 0.2442(4) 0.5916(4) 0.4826(3) 0.0499(18) Uani 1 1 d . . .
H32B H 0.2820 0.6381 0.5095 0.060 Uiso 1 1 calc R . .
C324 C 0.2201(4) 0.5385(5) 0.5081(4) 0.056(2) Uani 1 1 d . . .
H32C H 0.2409 0.5489 0.5526 0.067 Uiso 1 1 calc R . .
C325 C 0.1665(4) 0.4714(4) 0.4684(3) 0.0473(18) Uani 1 1 d . . .
H32D H 0.1508 0.4352 0.4858 0.057 Uiso 1 1 calc R . .
C326 C 0.1344(4) 0.4548(4) 0.4033(3) 0.0400(15) Uani 1 1 d . . .
H32E H 0.0972 0.4079 0.3765 0.048 Uiso 1 1 calc R . .
C331 C 0.0422(4) 0.4033(4) 0.2546(3) 0.0404(16) Uani 1 1 d . . .
C332 C 0.0627(4) 0.3385(4) 0.2436(3) 0.0445(17) Uani 1 1 d . . .
H33A H 0.1153 0.3417 0.2581 0.053 Uiso 1 1 calc R . .
C333 C 0.0050(5) 0.2687(4) 0.2110(3) 0.052(2) Uani 1 1 d . . .
H33B H 0.0187 0.2247 0.2036 0.062 Uiso 1 1 calc R . .
C334 C -0.0703(5) 0.2641(4) 0.1900(3) 0.056(2) Uani 1 1 d . . .
H33C H -0.1089 0.2170 0.1677 0.067 Uiso 1 1 calc R . .
C335 C -0.0910(5) 0.3286(4) 0.2011(3) 0.0517(19) Uani 1 1 d . . .
H33D H -0.1438 0.3252 0.1871 0.062 Uiso 1 1 calc R . .
C336 C -0.0344(4) 0.3977(4) 0.2327(3) 0.0421(16) Uani 1 1 d . . .
H33E H -0.0484 0.4413 0.2392 0.051 Uiso 1 1 calc R . .
C411 C 0.5842(4) 0.7407(4) 0.2472(4) 0.055(2) Uani 1 1 d . . .
C412 C 0.5386(5) 0.7813(6) 0.2328(5) 0.075(3) Uani 1 1 d . . .
H41A H 0.4878 0.7732 0.2412 0.089 Uiso 1 1 calc R . .
C413 C 0.5633(5) 0.8317(6) 0.2074(5) 0.081(3) Uani 1 1 d . . .
H41B H 0.5302 0.8584 0.1989 0.098 Uiso 1 1 calc R . .
C414 C 0.6359(5) 0.8446(6) 0.1937(4) 0.075(3) Uani 1 1 d . . .
H41C H 0.6524 0.8782 0.1739 0.090 Uiso 1 1 calc R . .
C415 C 0.6846(5) 0.8076(5) 0.2094(5) 0.071(3) Uani 1 1 d . . .
H41D H 0.7358 0.8176 0.2022 0.085 Uiso 1 1 calc R . .
C416 C 0.6593(5) 0.7572(5) 0.2349(5) 0.069(3) Uani 1 1 d . . .
H41E H 0.6935 0.7321 0.2448 0.083 Uiso 1 1 calc R . .
C421 C 0.5507(4) 0.5839(5) 0.2199(4) 0.059(2) Uani 1 1 d . . .
C422 C 0.5855(8) 0.5791(7) 0.1654(7) 0.136(6) Uani 1 1 d . . .
H42A H 0.6052 0.6216 0.1565 0.163 Uiso 1 1 calc R . .
C423 C 0.5896(8) 0.5098(8) 0.1254(7) 0.143(7) Uani 1 1 d . . .
H42B H 0.6176 0.5052 0.0918 0.171 Uiso 1 1 calc R . .
C424 C 0.5538(8) 0.4505(7) 0.1353(6) 0.106(4) Uani 1 1 d . . .
H42C H 0.5467 0.4024 0.1033 0.128 Uiso 1 1 calc R . .
C425 C 0.5285(11) 0.4575(7) 0.1878(7) 0.146(6) Uani 1 1 d . . .
H42D H 0.5132 0.4158 0.1986 0.175 Uiso 1 1 calc R . .
C426 C 0.5234(10) 0.5240(7) 0.2284(6) 0.128(6) Uani 1 1 d . . .
H42E H 0.4989 0.5260 0.2638 0.154 Uiso 1 1 calc R . .
C431 C 0.6180(4) 0.6918(5) 0.3521(4) 0.058(2) Uani 1 1 d . . .
C432 C 0.5991(5) 0.7157(5) 0.4124(4) 0.072(3) Uani 1 1 d . . .
H43A H 0.5495 0.7223 0.4152 0.086 Uiso 1 1 calc R . .
C433 C 0.6513(5) 0.7299(6) 0.4680(5) 0.089(4) Uani 1 1 d . . .
H43B H 0.6375 0.7465 0.5092 0.107 Uiso 1 1 calc R . .
C434 C 0.7226(5) 0.7207(6) 0.4659(5) 0.087(3) Uani 1 1 d . . .
H43C H 0.7583 0.7304 0.5049 0.104 Uiso 1 1 calc R . .
C435 C 0.7421(5) 0.6972(7) 0.4063(5) 0.102(4) Uani 1 1 d . . .
H43D H 0.7924 0.6922 0.4042 0.123 Uiso 1 1 calc R . .
C436 C 0.6890(5) 0.6807(6) 0.3491(5) 0.088(3) Uani 1 1 d . . .
H43E H 0.7019 0.6616 0.3078 0.105 Uiso 1 1 calc R . .
C511 C 0.1032(4) 0.7282(3) 0.0244(3) 0.0338(14) Uani 1 1 d . . .
C512 C 0.1249(4) 0.7569(4) -0.0209(3) 0.0434(16) Uani 1 1 d . . .
H51A H 0.0859 0.7592 -0.0517 0.052 Uiso 1 1 calc R . .
C513 C 0.2033(4) 0.7825(4) -0.0217(3) 0.0483(18) Uani 1 1 d . . .
H51B H 0.2177 0.8040 -0.0515 0.058 Uiso 1 1 calc R . .
C514 C 0.2604(4) 0.7763(4) 0.0216(4) 0.0513(19) Uani 1 1 d . . .
H51C H 0.3137 0.7916 0.0200 0.062 Uiso 1 1 calc R . .
C515 C 0.2397(4) 0.7484(4) 0.0663(4) 0.0491(18) Uani 1 1 d . . .
H51D H 0.2789 0.7447 0.0959 0.059 Uiso 1 1 calc R . .
C516 C 0.1617(4) 0.7251(4) 0.0690(3) 0.0409(16) Uani 1 1 d . . .
H51E H 0.1484 0.7070 0.1011 0.049 Uiso 1 1 calc R . .
C521 C -0.0201(4) 0.5909(3) -0.0343(3) 0.0333(14) Uani 1 1 d . . .
C522 C -0.0825(4) 0.5386(3) -0.0317(3) 0.0417(16) Uani 1 1 d . . .
H52A H -0.1133 0.5538 -0.0012 0.050 Uiso 1 1 calc R . .
C523 C -0.1015(4) 0.4647(3) -0.0722(3) 0.0443(17) Uani 1 1 d . . .
H52B H -0.1457 0.4294 -0.0705 0.053 Uiso 1 1 calc R . .
C524 C -0.0546(4) 0.4424(3) -0.1159(3) 0.0372(15) Uani 1 1 d . . .
H52C H -0.0665 0.3915 -0.1437 0.045 Uiso 1 1 calc R . .
C525 C 0.0076(4) 0.4935(3) -0.1181(3) 0.0367(15) Uani 1 1 d . . .
H52D H 0.0394 0.4781 -0.1476 0.044 Uiso 1 1 calc R . .
C526 C 0.0254(4) 0.5676(4) -0.0782(3) 0.0390(15) Uani 1 1 d . . .
H52E H 0.0688 0.6029 -0.0808 0.047 Uiso 1 1 calc R . .
C531 C -0.0493(4) 0.7301(4) -0.0197(3) 0.0410(16) Uani 1 1 d . . .
C532 C -0.1014(5) 0.6920(4) -0.0795(3) 0.0508(19) Uani 1 1 d . . .
H53A H -0.1112 0.6401 -0.1018 0.061 Uiso 1 1 calc R . .
C533 C -0.1399(5) 0.7285(5) -0.1075(4) 0.057(2) Uani 1 1 d . . .
H53B H -0.1759 0.7014 -0.1489 0.069 Uiso 1 1 calc R . .
C534 C -0.1268(6) 0.8027(5) -0.0763(5) 0.074(3) Uani 1 1 d . . .
H53C H -0.1531 0.8274 -0.0959 0.089 Uiso 1 1 calc R . .
C535 C -0.0750(7) 0.8418(5) -0.0160(5) 0.098(4) Uani 1 1 d . . .
H53D H -0.0656 0.8935 0.0062 0.118 Uiso 1 1 calc R . .
C536 C -0.0368(5) 0.8054(4) 0.0119(4) 0.067(3) Uani 1 1 d . . .
H53E H -0.0012 0.8326 0.0535 0.081 Uiso 1 1 calc R . .
C611 C 0.1126(4) 0.9972(3) 0.3315(3) 0.0343(14) Uani 1 1 d . . .
C612 C 0.1733(4) 1.0592(3) 0.3391(3) 0.0374(15) Uani 1 1 d . . .
H61A H 0.1751 1.0759 0.3046 0.045 Uiso 1 1 calc R . .
C613 C 0.2307(4) 1.0964(4) 0.3966(3) 0.0433(16) Uani 1 1 d . . .
H61B H 0.2717 1.1389 0.4019 0.052 Uiso 1 1 calc R . .
C614 C 0.2279(4) 1.0711(4) 0.4469(3) 0.0446(17) Uani 1 1 d . . .
H61C H 0.2669 1.0968 0.4867 0.054 Uiso 1 1 calc R . .
C615 C 0.1693(4) 1.0093(4) 0.4391(3) 0.0420(16) Uani 1 1 d . . .
H61D H 0.1678 0.9924 0.4734 0.050 Uiso 1 1 calc R . .
C616 C 0.1122(4) 0.9715(3) 0.3812(3) 0.0379(15) Uani 1 1 d . . .
H61E H 0.0727 0.9279 0.3755 0.045 Uiso 1 1 calc R . .
C621 C 0.0899(4) 0.9539(3) 0.1931(3) 0.0397(16) Uani 1 1 d . . .
C622 C 0.1403(4) 0.9137(4) 0.1784(3) 0.0468(17) Uani 1 1 d . . .
H62A H 0.1450 0.8811 0.1992 0.056 Uiso 1 1 calc R . .
C623 C 0.1850(5) 0.9204(4) 0.1329(4) 0.054(2) Uani 1 1 d . . .
H62B H 0.2211 0.8935 0.1236 0.065 Uiso 1 1 calc R . .
C624 C 0.1764(6) 0.9655(5) 0.1024(4) 0.069(3) Uani 1 1 d . . .
H62C H 0.2072 0.9706 0.0720 0.083 Uiso 1 1 calc R . .
C625 C 0.1236(7) 1.0040(5) 0.1148(5) 0.086(3) Uani 1 1 d . . .
H62D H 0.1167 1.0340 0.0919 0.103 Uiso 1 1 calc R . .
C626 C 0.0804(6) 0.9989(4) 0.1611(4) 0.065(2) Uani 1 1 d . . .
H62E H 0.0447 1.0262 0.1706 0.077 Uiso 1 1 calc R . .
C631 C -0.0310(4) 0.9972(4) 0.2580(3) 0.0411(16) Uani 1 1 d . . .
C632 C -0.1086(5) 0.9583(4) 0.2296(4) 0.059(2) Uani 1 1 d . . .
H63A H -0.1253 0.9057 0.2103 0.071 Uiso 1 1 calc R . .
C633 C -0.1619(5) 0.9959(5) 0.2293(5) 0.071(3) Uani 1 1 d . . .
H63B H -0.2156 0.9689 0.2105 0.085 Uiso 1 1 calc R . .
C634 C -0.1383(5) 1.0717(4) 0.2556(4) 0.064(2) Uani 1 1 d . . .
H63C H -0.1753 1.0970 0.2536 0.076 Uiso 1 1 calc R . .
C635 C -0.0614(5) 1.1114(4) 0.2850(4) 0.0516(19) Uani 1 1 d . . .
H63D H -0.0455 1.1640 0.3047 0.062 Uiso 1 1 calc R . .
C636 C -0.0073(4) 1.0746(4) 0.2861(3) 0.0466(18) Uani 1 1 d . . .
H63E H 0.0462 1.1020 0.3058 0.056 Uiso 1 1 calc R . .
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
F1 B1 1.312(14) . ?
B1 F4 1.368(14) . ?
B1 F2 1.383(13) . ?
B1 F3 1.448(16) . ?
Au1 C11 2.121(5) . ?
Au1 P1 2.2719(15) . ?
Au1 Au2 2.8723(3) . ?
P1 C111 1.803(6) . ?
P1 C131 1.809(7) . ?
P1 C121 1.815(6) . ?
S1 O11 1.436(4) . ?
S1 O12 1.450(4) . ?
S1 C11 1.756(6) . ?
S1 C13 1.787(6) . ?
B2 F5 1.35(2) . ?
B2 F8 1.367(19) . ?
B2 F6 1.37(2) . ?
B2 F7 1.377(18) . ?
Au2 C11 2.110(6) . ?
Au2 P2 2.2742(15) . ?
Au2 Au3 3.0013(3) . ?
P2 C211 1.813(6) . ?
P2 C231 1.814(6) . ?
P2 C221 1.817(6) . ?
S2 O22 1.439(5) . ?
S2 O21 1.441(5) . ?
S2 C21 1.750(6) . ?
S2 C23 1.775(7) . ?
Au3 N21 2.047(5) . ?
Au3 P3 2.2430(16) . ?
P3 C321 1.811(6) . ?
P3 C311 1.814(6) . ?
P3 C331 1.814(7) . ?
P4 C411 1.792(9) . ?
P4 C431 1.813(8) . ?
P4 C421 1.819(8) . ?
P4 Au4 2.2415(18) . ?
Au4 N11 2.029(6) . ?
Au5 C21 2.127(6) . ?
Au5 P5 2.2714(16) . ?
Au5 Au6 2.9018(3) . ?
P5 C511 1.794(7) . ?
P5 C521 1.817(6) . ?
P5 C531 1.818(7) . ?
Au6 C21 2.105(6) . ?
Au6 P6 2.2658(17) . ?
P6 C611 1.810(6) . ?
P6 C621 1.818(7) . ?
P6 C631 1.819(7) . ?
C11 C12 1.404(8) . ?
N11 C12 1.160(8) . ?
C13 C18 1.382(9) . ?
C13 C14 1.386(8) . ?
C14 C15 1.392(10) . ?
C14 H14A 0.9500 . ?
C15 C16 1.367(10) . ?
C15 H15A 0.9500 . ?
C16 C17 1.369(10) . ?
C16 H16A 0.9500 . ?
C17 C18 1.414(9) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C21 C22 1.397(8) . ?
N21 C22 1.147(7) . ?
C23 C28 1.390(10) . ?
C23 C24 1.399(11) . ?
C24 C25 1.382(11) . ?
C24 H24A 0.9500 . ?
C25 C26 1.346(14) . ?
C25 H25A 0.9500 . ?
C26 C27 1.381(15) . ?
C26 H26A 0.9500 . ?
C27 C28 1.405(12) . ?
C27 H27A 0.9500 . ?
C28 H28A 0.9500 . ?
C111 C116 1.393(9) . ?
C111 C112 1.408(9) . ?
C112 C113 1.395(10) . ?
C112 H11A 0.9500 . ?
C113 C114 1.353(11) . ?
C113 H11B 0.9500 . ?
C114 C115 1.368(11) . ?
C114 H11C 0.9500 . ?
C115 C116 1.400(10) . ?
C115 H11D 0.9500 . ?
C116 H11E 0.9500 . ?
C121 C126 1.370(9) . ?
C121 C122 1.392(9) . ?
C122 C123 1.396(10) . ?
C122 H12A 0.9500 . ?
C123 C124 1.352(10) . ?
C123 H12B 0.9500 . ?
C124 C125 1.405(9) . ?
C124 H12C 0.9500 . ?
C125 C126 1.403(9) . ?
C125 H12D 0.9500 . ?
C126 H12E 0.9500 . ?
C131 C132 1.393(9) . ?
C131 C136 1.396(9) . ?
C132 C133 1.393(10) . ?
C132 H13A 0.9500 . ?
C133 C134 1.381(11) . ?
C133 H13B 0.9500 . ?
C134 C135 1.377(11) . ?
C134 H13C 0.9500 . ?
C135 C136 1.391(10) . ?
C135 H13D 0.9500 . ?
C136 H13E 0.9500 . ?
C211 C216 1.377(9) . ?
C211 C212 1.387(8) . ?
C212 C213 1.387(9) . ?
C212 H21A 0.9500 . ?
C213 C214 1.384(10) . ?
C213 H21B 0.9500 . ?
C214 C215 1.365(10) . ?
C214 H21C 0.9500 . ?
C215 C216 1.386(9) . ?
C215 H21D 0.9500 . ?
C216 H21E 0.9500 . ?
C221 C226 1.380(8) . ?
C221 C222 1.395(8) . ?
C222 C223 1.378(9) . ?
C222 H22A 0.9500 . ?
C223 C224 1.388(10) . ?
C223 H22B 0.9500 . ?
C224 C225 1.395(10) . ?
C224 H22C 0.9500 . ?
C225 C226 1.387(9) . ?
C225 H22D 0.9500 . ?
C226 H22E 0.9500 . ?
C231 C232 1.373(9) . ?
C231 C236 1.400(8) . ?
C232 C233 1.394(9) . ?
C232 H23A 0.9500 . ?
C233 C234 1.376(10) . ?
C233 H23B 0.9500 . ?
C234 C235 1.365(10) . ?
C234 H23C 0.9500 . ?
C235 C236 1.386(9) . ?
C235 H23D 0.9500 . ?
C236 H23E 0.9500 . ?
C311 C312 1.372(9) . ?
C311 C316 1.400(10) . ?
C312 C313 1.388(11) . ?
C312 H31A 0.9500 . ?
C313 C314 1.405(13) . ?
C313 H31B 0.9500 . ?
C314 C315 1.358(12) . ?
C314 H31C 0.9500 . ?
C315 C316 1.408(11) . ?
C315 H31D 0.9500 . ?
C316 H31E 0.9500 . ?
C321 C326 1.383(9) . ?
C321 C322 1.391(9) . ?
C322 C323 1.391(9) . ?
C322 H32A 0.9500 . ?
C323 C324 1.397(11) . ?
C323 H32B 0.9500 . ?
C324 C325 1.367(10) . ?
C324 H32C 0.9500 . ?
C325 C326 1.391(9) . ?
C325 H32D 0.9500 . ?
C326 H32E 0.9500 . ?
C331 C336 1.383(10) . ?
C331 C332 1.406(9) . ?
C332 C333 1.409(10) . ?
C332 H33A 0.9500 . ?
C333 C334 1.363(11) . ?
C333 H33B 0.9500 . ?
C334 C335 1.401(11) . ?
C334 H33C 0.9500 . ?
C335 C336 1.390(9) . ?
C335 H33D 0.9500 . ?
C336 H33E 0.9500 . ?
C411 C412 1.394(12) . ?
C411 C416 1.409(11) . ?
C412 C413 1.353(14) . ?
C412 H41A 0.9500 . ?
C413 C414 1.375(12) . ?
C413 H41B 0.9500 . ?
C414 C415 1.385(13) . ?
C414 H41C 0.9500 . ?
C415 C416 1.357(13) . ?
C415 H41D 0.9500 . ?
C416 H41E 0.9500 . ?
C421 C426 1.287(14) . ?
C421 C422 1.427(15) . ?
C422 C423 1.402(16) . ?
C422 H42A 0.9500 . ?
C423 C424 1.328(18) . ?
C423 H42B 0.9500 . ?
C424 C425 1.289(17) . ?
C424 H42C 0.9500 . ?
C425 C426 1.367(14) . ?
C425 H42D 0.9500 . ?
C426 H42E 0.9500 . ?
C431 C436 1.373(11) . ?
C431 C432 1.382(11) . ?
C432 C433 1.366(13) . ?
C432 H43A 0.9500 . ?
C433 C434 1.360(12) . ?
C433 H43B 0.9500 . ?
C434 C435 1.371(13) . ?
C434 H43C 0.9500 . ?
C435 C436 1.388(13) . ?
C435 H43D 0.9500 . ?
C436 H43E 0.9500 . ?
C511 C512 1.394(9) . ?
C511 C516 1.400(9) . ?
C512 C513 1.394(10) . ?
C512 H51A 0.9500 . ?
C513 C514 1.395(11) . ?
C513 H51B 0.9500 . ?
C514 C515 1.364(10) . ?
C514 H51C 0.9500 . ?
C515 C516 1.396(10) . ?
C515 H51D 0.9500 . ?
C516 H51E 0.9500 . ?
C521 C522 1.373(9) . ?
C521 C526 1.391(9) . ?
C522 C523 1.378(9) . ?
C522 H52A 0.9500 . ?
C523 C524 1.403(9) . ?
C523 H52B 0.9500 . ?
C524 C525 1.354(9) . ?
C524 H52C 0.9500 . ?
C525 C526 1.381(8) . ?
C525 H52D 0.9500 . ?
C526 H52E 0.9500 . ?
C531 C532 1.373(10) . ?
C531 C536 1.383(10) . ?
C532 C533 1.388(10) . ?
C532 H53A 0.9500 . ?
C533 C534 1.361(12) . ?
C533 H53B 0.9500 . ?
C534 C535 1.379(13) . ?
C534 H53C 0.9500 . ?
C535 C536 1.380(12) . ?
C535 H53D 0.9500 . ?
C536 H53E 0.9500 . ?
C611 C616 1.391(9) . ?
C611 C612 1.395(9) . ?
C612 C613 1.383(9) . ?
C612 H61A 0.9500 . ?
C613 C614 1.401(10) . ?
C613 H61B 0.9500 . ?
C614 C615 1.370(10) . ?
C614 H61C 0.9500 . ?
C615 C616 1.386(9) . ?
C615 H61D 0.9500 . ?
C616 H61E 0.9500 . ?
C621 C622 1.367(9) . ?
C621 C626 1.381(10) . ?
C622 C623 1.403(10) . ?
C622 H62A 0.9500 . ?
C623 C624 1.354(11) . ?
C623 H62B 0.9500 . ?
C624 C625 1.377(12) . ?
C624 H62C 0.9500 . ?
C625 C626 1.393(11) . ?
C625 H62D 0.9500 . ?
C626 H62E 0.9500 . ?
C631 C632 1.376(10) . ?
C631 C636 1.398(9) . ?
C632 C633 1.377(10) . ?
C632 H63A 0.9500 . ?
C633 C634 1.370(11) . ?
C633 H63B 0.9500 . ?
C634 C635 1.371(11) . ?
C634 H63C 0.9500 . ?
C635 C636 1.379(9) . ?
C635 H63D 0.9500 . ?
C636 H63E 0.9500 . ?
