#------------------------------------------------------------------------------
#$Date: 2019-11-04 13:09:56 +0200 (Mon, 04 Nov 2019) $
#$Revision: 222834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/42/4034291.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_4034291
loop_
_publ_author_name
'Sun, Tingting'
'Guo, Ping'
'Xie, Qiong'
'Zhao, Liang'
'Zhu, Jun'
_publ_section_title
;
 Bonded to Carbon or Nitrogen? This is a Question on the Regioselectivity
 in Hyperconjugative Aromaticity.
;
_journal_issue                   7
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              3881
_journal_page_last               3886
_journal_paper_doi               10.1021/acs.joc.8b02996
_journal_volume                  84
_journal_year                    2019
_chemical_formula_sum            'C84 H69 Au4 B F4 N O0.5 P4'
_chemical_formula_weight         2098.96
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 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                 99.6190(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.8602(2)
_cell_length_b                   17.8588(2)
_cell_length_c                   39.6592(4)
_cell_measurement_reflns_used    32334
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      73.5000
_cell_measurement_theta_min      4.0690
_cell_volume                     15265.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100.01(10)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'four-circle diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0692
_diffrn_reflns_av_sigmaI/netI    0.0471
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            42123
_diffrn_reflns_theta_full        67.50
_diffrn_reflns_theta_max         67.50
_diffrn_reflns_theta_min         3.52
_exptl_absorpt_coefficient_mu    15.359
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.21166
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.22a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             8008
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         4.283
_refine_diff_density_min         -3.836
_refine_diff_density_rms         0.248
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     892
_refine_ls_number_reflns         13714
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0798P)²+241.9713P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1413
_reflns_number_gt                13073
_reflns_number_total             13714
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo8b02996_si_003.cif
_cod_data_source_block           y
_cod_original_cell_volume        15265.1(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C84 H69 Au4 B F4 N O0.50 P4'
_cod_database_code               4034291
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Au1 Au 0.551640(14) 0.59723(2) 0.703331(8) 0.02064(10) Uani 1 1 d .
Au2 Au 0.441078(13) 0.625380(18) 0.625395(7) 0.01654(10) Uani 1 1 d .
Au3 Au 0.280505(13) 0.594904(17) 0.647985(8) 0.01657(10) Uani 1 1 d .
Au4 Au 0.350428(13) 0.465086(17) 0.631934(7) 0.01633(10) Uani 1 1 d .
N1 N 0.4647(3) 0.5526(4) 0.69430(15) 0.0150(12) Uani 1 1 d .
C1 C 0.4204(3) 0.5750(4) 0.66804(18) 0.0156(14) Uani 1 1 d .
C2 C 0.3616(3) 0.5465(5) 0.67205(18) 0.0169(15) Uani 1 1 d .
C3 C 0.3726(3) 0.5042(4) 0.70419(18) 0.0170(15) Uani 1 1 d .
C4 C 0.3363(3) 0.4592(4) 0.72197(19) 0.0180(16) Uani 1 1 d .
H4A H 0.2939 0.4549 0.7143 0.022 Uiso 1 1 calc R
C5 C 0.3639(3) 0.4207(5) 0.75137(19) 0.0187(15) Uani 1 1 d .
C6 C 0.4291(3) 0.4246(5) 0.76274(18) 0.0173(15) Uani 1 1 d .
C7 C 0.4658(3) 0.4694(5) 0.74511(19) 0.0185(16) Uani 1 1 d .
C8 C 0.4372(3) 0.5101(4) 0.71645(18) 0.0143(14) Uani 1 1 d .
C9 C 0.3234(4) 0.3738(5) 0.7707(2) 0.0283(19) Uani 1 1 d .
H9A H 0.3040 0.4064 0.7854 0.034 Uiso 1 1 calc R
H9B H 0.2907 0.3509 0.7545 0.034 Uiso 1 1 calc R
C10 C 0.3584(5) 0.3137(6) 0.7920(3) 0.037(2) Uani 1 1 d .
H10A H 0.3721 0.2760 0.7773 0.045 Uiso 1 1 calc R
H10B H 0.3317 0.2898 0.8060 0.045 Uiso 1 1 calc R
C11 C 0.4146(4) 0.3484(7) 0.8148(2) 0.038(2) Uani 1 1 d .
H11A H 0.4011 0.3889 0.8281 0.045 Uiso 1 1 calc R
H11B H 0.4349 0.3109 0.8306 0.045 Uiso 1 1 calc R
C12 C 0.4599(4) 0.3781(5) 0.7929(2) 0.0225(17) Uani 1 1 d .
H12A H 0.4909 0.4084 0.8070 0.027 Uiso 1 1 calc R
H12B H 0.4811 0.3361 0.7844 0.027 Uiso 1 1 calc R
P1 P 0.64192(9) 0.65766(13) 0.71618(5) 0.0242(4) Uani 1 1 d .
C13 C 0.6510(4) 0.7325(6) 0.6864(2) 0.0281(19) Uani 1 1 d .
C14 C 0.5998(4) 0.7581(6) 0.6635(2) 0.035(2) Uani 1 1 d .
H14A H 0.5617 0.7342 0.6622 0.043 Uiso 1 1 calc R
C15 C 0.6055(5) 0.8188(6) 0.6428(3) 0.043(3) Uani 1 1 d .
H15A H 0.5710 0.8351 0.6276 0.051 Uiso 1 1 calc R
C16 C 0.6615(5) 0.8562(6) 0.6442(3) 0.041(2) Uani 1 1 d .
H16A H 0.6644 0.8979 0.6306 0.049 Uiso 1 1 calc R
C17 C 0.7134(4) 0.8303(6) 0.6664(2) 0.032(2) Uani 1 1 d .
H17A H 0.7512 0.8546 0.6674 0.039 Uiso 1 1 calc R
C18 C 0.7090(4) 0.7682(6) 0.6871(2) 0.031(2) Uani 1 1 d .
H18A H 0.7441 0.7502 0.7013 0.037 Uiso 1 1 calc R
C19 C 0.7109(4) 0.5996(5) 0.7176(2) 0.031(2) Uani 1 1 d .
C20 C 0.7216(4) 0.5692(6) 0.6868(3) 0.036(2) Uani 1 1 d .
H20A H 0.6963 0.5826 0.6664 0.043 Uiso 1 1 calc R
C21 C 0.7704(5) 0.5182(6) 0.6864(3) 0.040(2) Uani 1 1 d .
H21A H 0.7772 0.4973 0.6658 0.048 Uiso 1 1 calc R
C22 C 0.8087(4) 0.4991(6) 0.7168(3) 0.040(2) Uani 1 1 d .
H22A H 0.8414 0.4659 0.7167 0.048 Uiso 1 1 calc R
C23 C 0.7979(4) 0.5297(6) 0.7473(3) 0.040(2) Uani 1 1 d .
H23A H 0.8236 0.5169 0.7676 0.048 Uiso 1 1 calc R
C24 C 0.7490(4) 0.5796(6) 0.7481(3) 0.035(2) Uani 1 1 d .
H24A H 0.7418 0.5994 0.7688 0.042 Uiso 1 1 calc R
C25 C 0.6460(4) 0.7051(5) 0.7572(2) 0.0259(18) Uani 1 1 d .
C26 C 0.5924(4) 0.7082(5) 0.7718(2) 0.0275(18) Uani 1 1 d .
H26A H 0.5573 0.6821 0.7617 0.033 Uiso 1 1 calc R
C27 C 0.5904(4) 0.7497(6) 0.8012(2) 0.034(2) Uani 1 1 d .
H27A H 0.5540 0.7513 0.8104 0.041 Uiso 1 1 calc R
C28 C 0.6419(4) 0.7883(5) 0.8169(2) 0.032(2) Uani 1 1 d .
H28A H 0.6404 0.8163 0.8365 0.038 Uiso 1 1 calc R
C29 C 0.6967(4) 0.7848(6) 0.8029(2) 0.034(2) Uani 1 1 d .
H29A H 0.7322 0.8097 0.8135 0.040 Uiso 1 1 calc R
C30 C 0.6979(4) 0.7442(5) 0.7732(2) 0.030(2) Uani 1 1 d .
H30A H 0.7341 0.7432 0.7637 0.036 Uiso 1 1 calc R
P2 P 0.45967(8) 0.66617(12) 0.57354(5) 0.0171(4) Uani 1 1 d .
C31 C 0.4757(3) 0.7652(5) 0.5689(2) 0.0211(16) Uani 1 1 d .
C32 C 0.4475(4) 0.8168(6) 0.5874(3) 0.036(2) Uani 1 1 d .
H32A H 0.4216 0.8003 0.6023 0.043 Uiso 1 1 calc R
C33 C 0.4574(5) 0.8920(6) 0.5839(3) 0.048(3) Uani 1 1 d .
H33A H 0.4381 0.9266 0.5961 0.058 Uiso 1 1 calc R
C34 C 0.4970(5) 0.9162(6) 0.5617(3) 0.047(3) Uani 1 1 d .
H34A H 0.5038 0.9672 0.5592 0.056 Uiso 1 1 calc R
C35 C 0.5254(4) 0.8661(6) 0.5440(3) 0.040(2) Uani 1 1 d .
H35A H 0.5520 0.8831 0.5296 0.048 Uiso 1 1 calc R
C36 C 0.5154(4) 0.7898(5) 0.5468(2) 0.0285(19) Uani 1 1 d .
H36A H 0.5348 0.7557 0.5343 0.034 Uiso 1 1 calc R
C37 C 0.3910(3) 0.6464(5) 0.54160(18) 0.0168(15) Uani 1 1 d .
C38 C 0.3694(4) 0.6964(6) 0.5151(2) 0.034(2) Uani 1 1 d .
H38A H 0.3915 0.7399 0.5124 0.041 Uiso 1 1 calc R
C39 C 0.3150(5) 0.6810(6) 0.4931(3) 0.041(2) Uani 1 1 d .
H39A H 0.3006 0.7145 0.4756 0.049 Uiso 1 1 calc R
C40 C 0.2816(4) 0.6168(6) 0.4965(2) 0.0290(19) Uani 1 1 d .
H40A H 0.2450 0.6069 0.4816 0.035 Uiso 1 1 calc R
C41 C 0.3034(4) 0.5670(5) 0.5227(2) 0.0281(19) Uani 1 1 d .
H41A H 0.2814 0.5233 0.5250 0.034 Uiso 1 1 calc R
C42 C 0.3581(4) 0.5816(5) 0.5454(2) 0.0258(18) Uani 1 1 d .
H42A H 0.3722 0.5481 0.5629 0.031 Uiso 1 1 calc R
C43 C 0.5254(4) 0.6184(5) 0.5605(2) 0.0191(16) Uani 1 1 d .
C44 C 0.5243(4) 0.5900(5) 0.5274(2) 0.0226(17) Uani 1 1 d .
H44A H 0.4880 0.5922 0.5114 0.027 Uiso 1 1 calc R
C45 C 0.5779(4) 0.5586(5) 0.5187(2) 0.0294(19) Uani 1 1 d .
H45A H 0.5772 0.5394 0.4969 0.035 Uiso 1 1 calc R
C46 C 0.6327(4) 0.5556(5) 0.5424(2) 0.0280(19) Uani 1 1 d .
H46A H 0.6685 0.5354 0.5363 0.034 Uiso 1 1 calc R
C47 C 0.6334(4) 0.5830(5) 0.5751(3) 0.031(2) Uani 1 1 d .
H47A H 0.6697 0.5802 0.5911 0.037 Uiso 1 1 calc R
C48 C 0.5804(4) 0.6146(5) 0.5845(2) 0.0257(18) Uani 1 1 d .
H48A H 0.5814 0.6329 0.6066 0.031 Uiso 1 1 calc R
P3 P 0.19366(9) 0.64951(12) 0.61851(5) 0.0195(4) Uani 1 1 d .
C49 C 0.1256(4) 0.6432(5) 0.6393(2) 0.0286(19) Uani 1 1 d .
C50 C 0.0654(4) 0.6421(7) 0.6206(3) 0.047(3) Uani 1 1 d .
H50A H 0.0593 0.6450 0.5969 0.056 Uiso 1 1 calc R
C51 C 0.0147(5) 0.6368(9) 0.6375(3) 0.060(4) Uani 1 1 d .
H51A H -0.0254 0.6376 0.6252 0.072 Uiso 1 1 calc R
C52 C 0.0240(5) 0.6303(9) 0.6726(3) 0.064(4) Uani 1 1 d .
H52A H -0.0100 0.6267 0.6838 0.077 Uiso 1 1 calc R
C53 C 0.0818(5) 0.6290(8) 0.6910(3) 0.053(3) Uani 1 1 d .
H53A H 0.0874 0.6231 0.7146 0.064 Uiso 1 1 calc R
C54 C 0.1340(5) 0.6366(7) 0.6744(3) 0.040(2) Uani 1 1 d .
H54A H 0.1738 0.6371 0.6871 0.048 Uiso 1 1 calc R
C55 C 0.1691(4) 0.6052(5) 0.5779(2) 0.0220(17) Uani 1 1 d .
C56 C 0.1795(4) 0.5277(5) 0.5755(3) 0.031(2) Uani 1 1 d .
H56A H 0.2016 0.5024 0.5942 0.037 Uiso 1 1 calc R
C57 C 0.1573(4) 0.4889(5) 0.5459(2) 0.032(2) Uani 1 1 d .
H57A H 0.1627 0.4373 0.5451 0.038 Uiso 1 1 calc R
C58 C 0.1270(4) 0.5265(6) 0.5176(2) 0.037(2) Uani 1 1 d .
H58A H 0.1124 0.5003 0.4976 0.044 Uiso 1 1 calc R
C59 C 0.1183(5) 0.6018(6) 0.5188(2) 0.036(2) Uani 1 1 d .
H59A H 0.0984 0.6268 0.4995 0.043 Uiso 1 1 calc R
C60 C 0.1393(4) 0.6419(5) 0.5490(2) 0.0298(19) Uani 1 1 d .
H60A H 0.1330 0.6934 0.5496 0.036 Uiso 1 1 calc R
C61 C 0.2064(4) 0.7469(5) 0.60949(19) 0.0224(17) Uani 1 1 d .
C62 C 0.1652(4) 0.8041(5) 0.6153(2) 0.0307(19) Uani 1 1 d .
H62A H 0.1284 0.7923 0.6230 0.037 Uiso 1 1 calc R
C63 C 0.1795(5) 0.8783(5) 0.6097(2) 0.036(2) Uani 1 1 d .
H63A H 0.1522 0.9158 0.6139 0.043 Uiso 1 1 calc R
C64 C 0.2329(5) 0.8970(5) 0.5981(2) 0.035(2) Uani 1 1 d .
H64A H 0.2417 0.9470 0.5943 0.041 Uiso 1 1 calc R
C65 C 0.2742(4) 0.8409(5) 0.5921(2) 0.0287(19) Uani 1 1 d .
H65A H 0.3104 0.8533 0.5840 0.034 Uiso 1 1 calc R
C66 C 0.2610(4) 0.7662(5) 0.5983(2) 0.0282(19) Uani 1 1 d .
H66A H 0.2891 0.7290 0.5949 0.034 Uiso 1 1 calc R
P4 P 0.35431(9) 0.35564(11) 0.60347(5) 0.0184(4) Uani 1 1 d .
C67 C 0.2904(4) 0.3314(5) 0.5693(2) 0.0225(17) Uani 1 1 d .
C68 C 0.2917(4) 0.3573(5) 0.5363(2) 0.0247(17) Uani 1 1 d .
H68A H 0.3264 0.3828 0.5315 0.030 Uiso 1 1 calc R
C69 C 0.2414(4) 0.3451(6) 0.5105(2) 0.034(2) Uani 1 1 d .
H69A H 0.2418 0.3645 0.4888 0.040 Uiso 1 1 calc R
C70 C 0.1913(4) 0.3052(6) 0.5167(3) 0.039(2) Uani 1 1 d .
H70A H 0.1585 0.2958 0.4990 0.047 Uiso 1 1 calc R
C71 C 0.1892(4) 0.2782(5) 0.5495(3) 0.035(2) Uani 1 1 d .
H71A H 0.1549 0.2512 0.5537 0.042 Uiso 1 1 calc R
C72 C 0.2383(4) 0.2916(5) 0.5760(2) 0.0296(19) Uani 1 1 d .
H72A H 0.2367 0.2742 0.5979 0.035 Uiso 1 1 calc R
C73 C 0.3608(4) 0.2834(5) 0.6365(2) 0.0256(18) Uani 1 1 d .
C74 C 0.3466(4) 0.2069(5) 0.6279(2) 0.0238(17) Uani 1 1 d .
H74A H 0.3344 0.1926 0.6052 0.029 Uiso 1 1 calc R
C75 C 0.3514(4) 0.1542(5) 0.6542(2) 0.0299(19) Uani 1 1 d .
H75A H 0.3421 0.1043 0.6490 0.036 Uiso 1 1 calc R
C76 C 0.3702(4) 0.1759(5) 0.6880(2) 0.0303(19) Uani 1 1 d .
H76A H 0.3726 0.1407 0.7055 0.036 Uiso 1 1 calc R
C77 C 0.3853(4) 0.2497(5) 0.6958(2) 0.0299(19) Uani 1 1 d .
H77A H 0.3989 0.2637 0.7184 0.036 Uiso 1 1 calc R
C78 C 0.3805(4) 0.3029(5) 0.6702(2) 0.0233(17) Uani 1 1 d .
H78A H 0.3906 0.3524 0.6758 0.028 Uiso 1 1 calc R
C79 C 0.4238(3) 0.3468(5) 0.58388(19) 0.0217(17) Uani 1 1 d .
C80 C 0.4649(4) 0.4058(5) 0.5858(2) 0.0285(19) Uani 1 1 d .
H80A H 0.4574 0.4498 0.5970 0.034 Uiso 1 1 calc R
C81 C 0.5183(4) 0.3987(6) 0.5707(2) 0.034(2) Uani 1 1 d .
H81A H 0.5460 0.4385 0.5717 0.041 Uiso 1 1 calc R
C82 C 0.5298(4) 0.3340(6) 0.5547(2) 0.035(2) Uani 1 1 d .
H82A H 0.5656 0.3299 0.5450 0.042 Uiso 1 1 calc R
C83 C 0.4889(4) 0.2742(6) 0.5526(2) 0.031(2) Uani 1 1 d .
H83A H 0.4973 0.2303 0.5416 0.037 Uiso 1 1 calc R
C84 C 0.4352(4) 0.2803(5) 0.5670(2) 0.0266(18) Uani 1 1 d .
H84A H 0.4071 0.2407 0.5654 0.032 Uiso 1 1 calc R
B1 B 0.1621(5) 0.4540(7) 0.4276(3) 0.038(3) Uani 1 1 d .
F1 F 0.1359(4) 0.4806(4) 0.39517(17) 0.070(2) Uani 1 1 d .
F2 F 0.1231(3) 0.4067(4) 0.4398(2) 0.068(2) Uani 1 1 d .
F3 F 0.1743(3) 0.5155(4) 0.44889(15) 0.0543(17) Uani 1 1 d .
F4 F 0.2174(3) 0.4190(4) 0.42475(18) 0.0524(17) Uani 1 1 d .
O1W O 0.9780(11) 0.4315(10) 0.7317(5) 0.080(6) Uani 0.50 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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 0.0492 0.0322 '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_3
N1 Au1 P1 173.10(19) .
C1 Au2 P2 171.7(2) .
C2 Au3 P3 176.5(2) .
C2 Au3 Au4 47.3(2) .
P3 Au3 Au4 130.81(5) .
C2 Au4 P4 161.4(2) .
C2 Au4 Au3 45.04(19) .
P4 Au4 Au3 149.58(5) .
C1 N1 C8 108.8(6) .
C1 N1 Au1 122.9(5) .
C8 N1 Au1 126.8(5) .
N1 C1 C2 110.6(6) .
N1 C1 Au2 122.7(5) .
C2 C1 Au2 125.8(5) .
C1 C2 C3 105.2(6) .
C1 C2 Au3 121.6(5) .
C3 C2 Au3 128.6(5) .
C1 C2 Au4 98.8(5) .
C3 C2 Au4 106.2(5) .
Au3 C2 Au4 87.6(3) .
C4 C3 C8 119.0(7) .
C4 C3 C2 135.1(7) .
C8 C3 C2 105.7(6) .
C3 C4 C5 120.0(7) .
C4 C5 C6 120.5(7) .
C4 C5 C9 119.1(7) .
C6 C5 C9 120.4(7) .
C7 C6 C5 119.8(7) .
C7 C6 C12 119.4(7) .
C5 C6 C12 120.7(7) .
C6 C7 C8 119.1(7) .
C6 C7 C7 120.4(7) 2_656
C8 C7 C7 120.3(7) 2_656
N1 C8 C7 128.4(7) .
N1 C8 C3 109.8(6) .
C7 C8 C3 121.4(7) .
C10 C9 C5 113.3(7) .
C9 C10 C11 109.2(8) .
C12 C11 C10 109.7(8) .
C6 C12 C11 113.4(7) .
C13 P1 C19 105.0(4) .
C13 P1 C25 104.1(4) .
C19 P1 C25 108.6(4) .
C13 P1 Au1 113.3(3) .
C19 P1 Au1 115.3(3) .
C25 P1 Au1 109.7(3) .
C14 C13 C18 118.8(8) .
C14 C13 P1 120.2(7) .
C18 C13 P1 120.9(7) .
C15 C14 C13 120.3(9) .
C14 C15 C16 121.4(9) .
C15 C16 C17 119.0(9) .
C18 C17 C16 120.6(8) .
C17 C18 C13 119.8(8) .
C20 C19 C24 119.8(9) .
C20 C19 P1 117.0(7) .
C24 C19 P1 122.9(8) .
C19 C20 C21 120.2(9) .
C22 C21 C20 119.8(10) .
C23 C22 C21 119.8(9) .
C22 C23 C24 121.0(10) .
C19 C24 C23 119.5(10) .
C30 C25 C26 118.1(8) .
C30 C25 P1 123.6(7) .
C26 C25 P1 118.1(6) .
C27 C26 C25 121.1(8) .
C28 C27 C26 120.6(9) .
C27 C28 C29 119.1(9) .
C30 C29 C28 119.8(8) .
C29 C30 C25 121.3(8) .
C43 P2 C31 104.6(4) .
C43 P2 C37 108.0(4) .
C31 P2 C37 105.5(4) .
C43 P2 Au2 112.0(2) .
C31 P2 Au2 118.0(3) .
C37 P2 Au2 108.3(2) .
C32 C31 C36 119.9(9) .
C32 C31 P2 118.8(7) .
C36 C31 P2 121.3(7) .
C33 C32 C31 120.3(10) .
C32 C33 C34 119.4(10) .
C35 C34 C33 120.6(10) .
C34 C35 C36 121.0(10) .
C35 C36 C31 118.8(9) .
C42 C37 C38 119.9(7) .
C42 C37 P2 117.9(6) .
C38 C37 P2 122.1(6) .
C39 C38 C37 119.7(9) .
C40 C39 C38 121.1(9) .
C39 C40 C41 119.1(8) .
C40 C41 C42 120.8(9) .
C37 C42 C41 119.4(8) .
C48 C43 C44 119.8(7) .
C48 C43 P2 117.2(6) .
C44 C43 P2 122.9(6) .
C45 C44 C43 119.4(8) .
C44 C45 C46 120.8(8) .
C47 C46 C45 119.5(8) .
C46 C47 C48 120.9(8) .
C47 C48 C43 119.5(8) .
C55 P3 C61 106.2(4) .
C55 P3 C49 103.6(4) .
C61 P3 C49 108.3(4) .
C55 P3 Au3 111.8(3) .
C61 P3 Au3 111.8(3) .
C49 P3 Au3 114.5(3) .
C54 C49 C50 119.3(9) .
C54 C49 P3 118.9(7) .
C50 C49 P3 121.8(7) .
C51 C50 C49 120.0(10) .
C52 C51 C50 119.8(10) .
C53 C52 C51 121.0(10) .
C52 C53 C54 120.1(11) .
C49 C54 C53 119.8(10) .
C60 C55 C56 118.0(8) .
C60 C55 P3 124.3(7) .
C56 C55 P3 117.7(7) .
C57 C56 C55 120.8(9) .
C56 C57 C58 120.0(9) .
C59 C58 C57 120.3(8) .
C58 C59 C60 120.4(9) .
C55 C60 C59 120.3(9) .
C66 C61 C62 118.9(8) .
C66 C61 P3 118.1(6) .
C62 C61 P3 122.9(7) .
C63 C62 C61 120.0(9) .
C64 C63 C62 121.1(9) .
C63 C64 C65 119.7(9) .
C66 C65 C64 119.8(9) .
C61 C66 C65 120.6(8) .
C79 P4 C73 105.9(4) .
C79 P4 C67 104.6(4) .
C73 P4 C67 108.8(4) .
C79 P4 Au4 113.0(3) .
C73 P4 Au4 104.9(3) .
C67 P4 Au4 119.1(3) .
C68 C67 C72 119.4(8) .
C68 C67 P4 118.9(6) .
C72 C67 P4 121.6(6) .
C69 C68 C67 120.1(9) .
C70 C69 C68 120.8(9) .
C69 C70 C71 120.0(8) .
C72 C71 C70 120.2(9) .
C71 C72 C67 119.4(9) .
C78 C73 C74 119.5(8) .
C78 C73 P4 119.4(7) .
C74 C73 P4 121.1(7) .
C75 C74 C73 118.7(8) .
C76 C75 C74 120.4(8) .
C77 C76 C75 120.1(8) .
C76 C77 C78 120.4(8) .
C73 C78 C77 120.8(8) .
C80 C79 C84 120.4(8) .
C80 C79 P4 119.4(7) .
C84 C79 P4 120.2(7) .
C79 C80 C81 119.2(9) .
C82 C81 C80 120.5(9) .
C81 C82 C83 120.9(9) .
C82 C83 C84 119.7(9) .
C83 C84 C79 119.3(9) .
F2 B1 F4 111.2(10) .
F2 B1 F3 110.3(9) .
F4 B1 F3 109.1(9) .
F2 B1 F1 110.8(9) .
F4 B1 F1 107.9(9) .
F3 B1 F1 107.3(10) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 N1 2.037(6) .
Au1 P1 2.232(2) .
Au2 C1 2.032(8) .
Au2 P2 2.2814(19) .
Au3 C2 2.058(7) .
Au3 P3 2.2759(19) .
Au3 Au4 2.9055(4) .
Au4 C2 2.138(8) .
Au4 P4 2.266(2) .
N1 C1 1.358(9) .
N1 C8 1.372(9) .
C1 C2 1.418(10) .
C2 C3 1.466(10) .
C3 C4 1.400(11) .
C3 C8 1.419(10) .
C4 C5 1.401(11) .
C5 C6 1.423(10) .
C5 C9 1.517(11) .
C6 C7 1.399(11) .
C6 C12 1.519(10) .
C7 C8 1.404(11) .
C7 C7 1.482(14) 2_656
C9 C10 1.495(13) .
C10 C11 1.529(14) .
C11 C12 1.520(12) .
P1 C13 1.815(9) .
P1 C19 1.822(10) .
P1 C25 1.824(9) .
C13 C14 1.395(13) .
C13 C18 1.417(12) .
C14 C15 1.377(14) .
C15 C16 1.388(14) .
C16 C17 1.393(14) .
C17 C18 1.392(13) .
C19 C20 1.392(14) .
C19 C24 1.396(13) .
C20 C21 1.406(14) .
C21 C22 1.391(15) .
C22 C23 1.383(16) .
C23 C24 1.397(14) .
C25 C30 1.391(12) .
C25 C26 1.392(12) .
C26 C27 1.389(13) .
C27 C28 1.376(14) .
C28 C29 1.406(13) .
C29 C30 1.387(13) .
P2 C43 1.819(8) .
P2 C31 1.818(9) .
P2 C37 1.829(8) .
C31 C32 1.388(13) .
C31 C36 1.402(12) .
C32 C33 1.371(15) .
C33 C34 1.400(18) .
C34 C35 1.353(16) .
C35 C36 1.387(13) .
C37 C42 1.385(12) .
C37 C38 1.399(11) .
C38 C39 1.381(13) .
C39 C40 1.379(14) .
C40 C41 1.388(13) .
C41 C42 1.396(12) .
C43 C48 1.404(11) .
C43 C44 1.405(11) .
C44 C45 1.394(11) .
C45 C46 1.394(13) .
C46 C47 1.383(13) .
C47 C48 1.395(12) .
P3 C55 1.795(9) .
P3 C61 1.807(9) .
P3 C49 1.822(9) .
C49 C54 1.376(13) .
C49 C50 1.399(13) .
C50 C51 1.392(14) .
C51 C52 1.375(18) .
C52 C53 1.350(17) .
C53 C54 1.415(14) .
C55 C60 1.385(12) .
C55 C56 1.408(12) .
C56 C57 1.379(13) .
C57 C58 1.380(15) .
C58 C59 1.359(14) .
C59 C60 1.405(13) .
C61 C66 1.384(12) .
C61 C62 1.406(12) .
C62 C63 1.387(13) .
C63 C64 1.365(15) .
C64 C65 1.397(13) .
C65 C66 1.396(12) .
P4 C79 1.824(8) .
P4 C73 1.826(9) .
P4 C67 1.829(8) .
C67 C68 1.394(12) .
C67 C72 1.403(12) .
C68 C69 1.388(12) .
C69 C70 1.362(15) .
C70 C71 1.395(15) .
C71 C72 1.392(13) .
C73 C78 1.380(12) .
C73 C74 1.429(12) .
C74 C75 1.396(12) .
C75 C76 1.392(13) .
C76 C77 1.381(13) .
C77 C78 1.381(12) .
C79 C80 1.379(13) .
C79 C84 1.406(12) .
C80 C81 1.403(13) .
C81 C82 1.363(15) .
C82 C83 1.386(15) .
C83 C84 1.394(12) .
B1 F2 1.347(15) .
B1 F4 1.382(13) .
B1 F3 1.384(12) .
B1 F1 1.402(14) .
O1W O1W 1.60(4) 2_756
