#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:09:31 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179278 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/98/4319870.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_4319870
loop_
_publ_author_name
'Eduardo J. Fernández'
'Manuel Gil'
'M. Elena Olmos'
'Olga Crespo'
'Antonio Laguna'
'Peter G. Jones'
_publ_section_title
;
 Ability of a Au(III)-N Unit to Bond Two Aurophilically Interacting
 Gold(I) Centers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3018
_journal_page_last               3024
_journal_paper_doi               10.1021/ic0100875
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C30 H15 Au F10 N P'
_chemical_formula_weight         807.37
_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     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.163(3)
_cell_angle_beta                 98.068(3)
_cell_angle_gamma                104.580(3)
_cell_formula_units_Z            4
_cell_length_a                   10.0862(8)
_cell_length_b                   14.8036(12)
_cell_length_c                   19.3597(16)
_cell_measurement_reflns_used    6788
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     2712.2(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_sigmaI/netI    0.1094
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            29022
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    5.575
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.683
_exptl_absorpt_correction_type   'multiple scans (SADABS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.977
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'tapering prism'
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.514
_refine_diff_density_min         -1.688
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.802
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     783
_refine_ls_number_reflns         15390
_refine_ls_number_restraints     737
_refine_ls_restrained_S_all      0.785
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0349
_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)+(0.0158P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0550
_refine_ls_wR_factor_ref         0.0617
_reflns_number_gt                9304
_reflns_number_total             15390
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0100875_3.cif
_cod_data_source_block           hoplog
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_angle_publ_flag' value 'Y' changed to 'y' according to the
built-in table from CIF Core dictionary named 'cif_core.dic' version
2.4.1 from 2010-06-29 (26 times).

'_geom_bond_publ_flag' value 'Y'
changed to 'y' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (16
times).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4319870
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
Au Au 0.724352(17) 0.240330(13) 0.239801(8) 0.02061(5) Uani 1 1 d . . .
P P 0.68257(12) 0.34378(9) 0.16616(6) 0.0214(3) Uani 1 1 d . . .
N N 0.7468(4) 0.3560(3) 0.3170(2) 0.0315(10) Uani 1 1 d DU . .
H01 H 0.766(5) 0.345(3) 0.3562(19) 0.036(16) Uiso 1 1 d D . .
C1 C 0.7271(4) 0.4531(3) 0.2301(2) 0.0244(10) Uani 1 1 d DU . .
C2 C 0.7450(4) 0.4420(3) 0.3016(2) 0.0232(10) Uani 1 1 d DU . .
C3 C 0.7628(4) 0.5233(3) 0.3549(2) 0.0303(11) Uani 1 1 d DU . .
H3 H 0.7713 0.5177 0.4034 0.036 Uiso 1 1 calc R . .
C4 C 0.7679(5) 0.6095(4) 0.3379(3) 0.0385(13) Uani 1 1 d DU . .
H4 H 0.7793 0.6630 0.3748 0.046 Uiso 1 1 calc R . .
C5 C 0.7567(5) 0.6212(4) 0.2672(3) 0.0391(13) Uani 1 1 d DU . .
H5 H 0.7650 0.6824 0.2560 0.047 Uiso 1 1 calc R . .
C6 C 0.7332(5) 0.5410(4) 0.2140(3) 0.0352(12) Uani 1 1 d DU . .
H6 H 0.7211 0.5471 0.1656 0.042 Uiso 1 1 calc R . .
C11 C 0.7834(4) 0.3567(3) 0.0973(2) 0.0224(10) Uani 1 1 d DU . .
C12 C 0.7342(5) 0.2970(3) 0.0303(2) 0.0254(11) Uani 1 1 d DU . .
H12 H 0.6436 0.2534 0.0199 0.030 Uiso 1 1 calc R . .
C13 C 0.8175(5) 0.3011(3) -0.0211(2) 0.0303(11) Uani 1 1 d DU . .
H13 H 0.7836 0.2603 -0.0667 0.036 Uiso 1 1 calc R . .
C14 C 0.9491(5) 0.3642(3) -0.0062(2) 0.0284(11) Uani 1 1 d DU . .
H14 H 1.0059 0.3667 -0.0415 0.034 Uiso 1 1 calc R . .
C15 C 0.9986(5) 0.4238(3) 0.0600(2) 0.0318(12) Uani 1 1 d DU . .
H15 H 1.0888 0.4678 0.0699 0.038 Uiso 1 1 calc R . .
C16 C 0.9176(5) 0.4196(3) 0.1117(2) 0.0284(11) Uani 1 1 d DU . .
H16 H 0.9532 0.4597 0.1575 0.034 Uiso 1 1 calc R . .
C21 C 0.5019(4) 0.3161(3) 0.1242(2) 0.0213(10) Uani 1 1 d DU . .
C22 C 0.4595(5) 0.3651(3) 0.0737(2) 0.0308(12) Uani 1 1 d DU . .
H22 H 0.5263 0.4128 0.0595 0.037 Uiso 1 1 calc R . .
C23 C 0.3194(5) 0.3441(4) 0.0440(2) 0.0359(12) Uani 1 1 d DU . .
H23 H 0.2902 0.3778 0.0097 0.043 Uiso 1 1 calc R . .
C24 C 0.2230(5) 0.2752(3) 0.0639(2) 0.0327(12) Uani 1 1 d DU . .
H24 H 0.1272 0.2612 0.0431 0.039 Uiso 1 1 calc R . .
C25 C 0.2636(5) 0.2259(3) 0.1139(2) 0.0317(11) Uani 1 1 d DU . .
H25 H 0.1958 0.1778 0.1271 0.038 Uiso 1 1 calc R . .
C26 C 0.4031(4) 0.2465(3) 0.1449(2) 0.0276(11) Uani 1 1 d DU . .
H26 H 0.4311 0.2134 0.1799 0.033 Uiso 1 1 calc R . .
C31 C 0.7678(4) 0.1566(3) 0.3109(2) 0.0195(10) Uani 1 1 d DU . .
C32 C 0.8786(4) 0.1176(3) 0.3109(2) 0.0258(11) Uani 1 1 d DU . .
C33 C 0.9056(5) 0.0594(3) 0.3557(2) 0.0288(11) Uani 1 1 d DU . .
C34 C 0.8213(5) 0.0375(3) 0.4049(2) 0.0289(11) Uani 1 1 d DU . .
C35 C 0.7106(5) 0.0759(3) 0.4072(2) 0.0285(11) Uani 1 1 d DU . .
C36 C 0.6860(4) 0.1343(3) 0.3612(2) 0.0243(10) Uani 1 1 d DU . .
F1 F 0.9661(3) 0.1374(2) 0.26489(13) 0.0371(7) Uani 1 1 d DU . .
F2 F 1.0155(3) 0.0218(2) 0.35472(14) 0.0454(8) Uani 1 1 d DU . .
F3 F 0.8479(3) -0.0182(2) 0.44912(15) 0.0451(8) Uani 1 1 d DU . .
F4 F 0.6276(3) 0.0550(2) 0.45483(14) 0.0445(8) Uani 1 1 d DU . .
F5 F 0.5766(3) 0.1711(2) 0.36533(13) 0.0369(7) Uani 1 1 d DU . .
C41 C 0.6921(4) 0.1257(3) 0.1591(2) 0.0224(10) Uani 1 1 d DU . .
C42 C 0.5774(5) 0.0501(3) 0.1490(2) 0.0284(11) Uani 1 1 d DU . .
C43 C 0.5469(5) -0.0287(3) 0.0946(3) 0.0388(13) Uani 1 1 d DU . .
C44 C 0.6366(6) -0.0302(4) 0.0470(3) 0.0444(14) Uani 1 1 d DU . .
C45 C 0.7542(5) 0.0426(4) 0.0550(2) 0.0378(13) Uani 1 1 d DU . .
C46 C 0.7826(5) 0.1199(3) 0.1115(2) 0.0291(11) Uani 1 1 d DU . .
F6 F 0.4845(3) 0.04897(19) 0.19309(14) 0.0383(7) Uani 1 1 d DU . .
F7 F 0.4314(3) -0.1014(2) 0.08611(16) 0.0587(10) Uani 1 1 d DU . .
F8 F 0.6086(4) -0.1063(2) -0.00706(16) 0.0731(12) Uani 1 1 d DU . .
F9 F 0.8422(3) 0.0418(3) 0.00916(14) 0.0622(10) Uani 1 1 d DU . .
F10 F 0.9021(3) 0.1909(2) 0.11962(13) 0.0359(7) Uani 1 1 d DU . .
Au' Au 0.242925(18) 0.775909(13) 0.316497(9) 0.02250(5) Uani 1 1 d . . .
P' P 0.28722(12) 0.67390(9) 0.39032(6) 0.0219(3) Uani 1 1 d . . .
N' N 0.1141(4) 0.8017(3) 0.3837(2) 0.0308(10) Uani 1 1 d DU . .
H01' H 0.064(4) 0.838(3) 0.381(2) 0.032(15) Uiso 1 1 d D . .
C1' C 0.1557(4) 0.6783(3) 0.4430(2) 0.0229(10) Uani 1 1 d DU . .
C2' C 0.0881(4) 0.7493(3) 0.4345(2) 0.0255(11) Uani 1 1 d DU . .
C3' C -0.0072(4) 0.7631(4) 0.4803(2) 0.0317(12) Uani 1 1 d DU . .
H3' H -0.0524 0.8118 0.4775 0.038 Uiso 1 1 calc R . .
C4' C -0.0329(5) 0.7050(4) 0.5285(2) 0.0311(12) Uani 1 1 d DU . .
H4' H -0.0964 0.7148 0.5589 0.037 Uiso 1 1 calc R . .
C5' C 0.0297(5) 0.6329(4) 0.5347(2) 0.0335(12) Uani 1 1 d DU . .
H5' H 0.0078 0.5925 0.5675 0.040 Uiso 1 1 calc R . .
C6' C 0.1254(4) 0.6215(4) 0.4918(2) 0.0291(11) Uani 1 1 d DU . .
H6' H 0.1713 0.5734 0.4960 0.035 Uiso 1 1 calc R . .
C11' C 0.4512(4) 0.7120(3) 0.4524(2) 0.0227(10) Uani 1 1 d DU . .
C12' C 0.4883(5) 0.6507(4) 0.4944(2) 0.0330(12) Uani 1 1 d DU . .
H12' H 0.4375 0.5852 0.4838 0.040 Uiso 1 1 calc R . .
C13' C 0.5981(5) 0.6851(4) 0.5510(3) 0.0410(13) Uani 1 1 d DU . .
H13' H 0.6239 0.6428 0.5790 0.049 Uiso 1 1 calc R . .
C14' C 0.6708(5) 0.7797(4) 0.5677(2) 0.0385(13) Uani 1 1 d DU . .
H14' H 0.7433 0.8035 0.6084 0.046 Uiso 1 1 calc R . .
C15' C 0.6382(5) 0.8405(4) 0.5249(2) 0.0364(12) Uani 1 1 d DU . .
H15' H 0.6919 0.9053 0.5348 0.044 Uiso 1 1 calc R . .
C16' C 0.5282(5) 0.8072(3) 0.4680(2) 0.0282(11) Uani 1 1 d DU . .
H16' H 0.5048 0.8495 0.4394 0.034 Uiso 1 1 calc R . .
C21' C 0.2621(4) 0.5529(3) 0.3451(2) 0.0241(10) Uani 1 1 d DU . .
C22' C 0.1304(5) 0.4898(3) 0.3275(2) 0.0288(11) Uani 1 1 d DU . .
H22' H 0.0532 0.5095 0.3407 0.035 Uiso 1 1 calc R . .
C23' C 0.1105(5) 0.3973(3) 0.2906(2) 0.0331(12) Uani 1 1 d DU . .
H23' H 0.0202 0.3532 0.2795 0.040 Uiso 1 1 calc R . .
C24' C 0.2226(5) 0.3701(4) 0.2703(2) 0.0363(13) Uani 1 1 d DU . .
H24' H 0.2091 0.3068 0.2453 0.044 Uiso 1 1 calc R . .
C25' C 0.3560(5) 0.4344(4) 0.2860(3) 0.0394(13) Uani 1 1 d DU . .
H25' H 0.4325 0.4157 0.2710 0.047 Uiso 1 1 calc R . .
C26' C 0.3743(5) 0.5243(3) 0.3234(2) 0.0303(11) Uani 1 1 d DU . .
H26' H 0.4647 0.5682 0.3348 0.036 Uiso 1 1 calc R . .
C31' C 0.1793(4) 0.8617(3) 0.2534(2) 0.0224(10) Uani 1 1 d DU . .
C32' C 0.2305(4) 0.9585(3) 0.2686(2) 0.0247(10) Uani 1 1 d DU . .
C33' C 0.1839(4) 1.0170(3) 0.2276(2) 0.0264(11) Uani 1 1 d DU . .
C34' C 0.0799(5) 0.9758(3) 0.1690(2) 0.0293(11) Uani 1 1 d DU . .
C35' C 0.0253(5) 0.8795(3) 0.1517(2) 0.0280(11) Uani 1 1 d DU . .
C36' C 0.0752(5) 0.8242(3) 0.1931(2) 0.0291(11) Uani 1 1 d DU . .
F1' F 0.3318(3) 1.00196(19) 0.32704(13) 0.0361(7) Uani 1 1 d DU . .
F2' F 0.2390(3) 1.11239(19) 0.24545(14) 0.0357(7) Uani 1 1 d DU . .
F3' F 0.0314(3) 1.0311(2) 0.12893(14) 0.0399(7) Uani 1 1 d DU . .
F4' F -0.0769(3) 0.8400(2) 0.09394(14) 0.0442(8) Uani 1 1 d DU . .
F5' F 0.0181(3) 0.72747(19) 0.17452(13) 0.0403(7) Uani 1 1 d DU . .
C41' C 0.3759(4) 0.7491(3) 0.2498(2) 0.0240(10) Uani 1 1 d DU . .
C42' C 0.5033(5) 0.8141(3) 0.2552(2) 0.0298(11) Uani 1 1 d DU . .
C43' C 0.5934(5) 0.7992(4) 0.2091(3) 0.0387(13) Uani 1 1 d DU . .
C44' C 0.5541(5) 0.7199(4) 0.1569(2) 0.0407(13) Uani 1 1 d DU . .
C45' C 0.4295(5) 0.6540(4) 0.1499(2) 0.0327(12) Uani 1 1 d DU . .
C46' C 0.3398(5) 0.6694(3) 0.1961(2) 0.0296(11) Uani 1 1 d DU . .
F6' F 0.5451(3) 0.8935(2) 0.30628(14) 0.0431(8) Uani 1 1 d DU . .
F7' F 0.7180(3) 0.8636(2) 0.21693(17) 0.0624(10) Uani 1 1 d DU . .
F8' F 0.6420(3) 0.7036(2) 0.11264(16) 0.0621(10) Uani 1 1 d DU . .
F9' F 0.3901(3) 0.5744(2) 0.09817(15) 0.0521(9) Uani 1 1 d DU . .
F10' F 0.2160(3) 0.60385(19) 0.18747(13) 0.0397(7) Uani 1 1 d DU . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N Au C41 176.70(17) . . y
N Au C31 94.10(16) . . y
C41 Au C31 88.42(15) . . y
N Au P 82.09(13) . . y
C41 Au P 95.44(12) . . y
C31 Au P 175.99(11) . . y
C1 P C11 110.2(2) . . y
C1 P C21 108.9(2) . . y
C11 P C21 106.96(19) . . y
C1 P Au 100.42(16) . . y
C11 P Au 116.92(15) . . y
C21 P Au 113.18(15) . . y
C2 N Au 122.0(3) . . y
C6 C1 C2 120.6(4) . . ?
C6 C1 P 125.0(4) . . ?
C2 C1 P 114.1(4) . . ?
N C2 C3 122.5(4) . . ?
N C2 C1 120.1(4) . . ?
C3 C2 C1 117.4(5) . . ?
C4 C3 C2 121.0(5) . . ?
C3 C4 C5 121.5(5) . . ?
C6 C5 C4 118.1(5) . . ?
C1 C6 C5 121.3(5) . . ?
C12 C11 C16 118.9(4) . . ?
C12 C11 P 120.0(3) . . ?
C16 C11 P 120.8(3) . . ?
C13 C12 C11 120.1(4) . . ?
C14 C13 C12 120.2(4) . . ?
C13 C14 C15 120.0(4) . . ?
C16 C15 C14 120.3(4) . . ?
C15 C16 C11 120.4(4) . . ?
C22 C21 C26 119.7(4) . . ?
C22 C21 P 121.2(3) . . ?
C26 C21 P 119.0(3) . . ?
C23 C22 C21 119.8(5) . . ?
C24 C23 C22 120.4(5) . . ?
C23 C24 C25 120.5(5) . . ?
C24 C25 C26 120.1(5) . . ?
C25 C26 C21 119.5(4) . . ?
C32 C31 C36 115.3(4) . . ?
C32 C31 Au 122.3(3) . . ?
C36 C31 Au 122.3(3) . . ?
F1 C32 C33 117.4(4) . . ?
F1 C32 C31 119.5(4) . . ?
C33 C32 C31 123.1(4) . . ?
F2 C33 C32 122.1(4) . . ?
F2 C33 C34 117.7(4) . . ?
C32 C33 C34 120.3(4) . . ?
F3 C34 C35 120.9(4) . . ?
F3 C34 C33 120.6(4) . . ?
C35 C34 C33 118.4(5) . . ?
F4 C35 C36 121.1(4) . . ?
F4 C35 C34 119.0(4) . . ?
C36 C35 C34 119.9(4) . . ?
F5 C36 C35 118.2(4) . . ?
F5 C36 C31 118.9(4) . . ?
C35 C36 C31 123.0(4) . . ?
C42 C41 C46 116.4(4) . . ?
C42 C41 Au 120.3(3) . . ?
C46 C41 Au 123.3(3) . . ?
F6 C42 C41 120.5(4) . . ?
F6 C42 C43 115.9(4) . . ?
C41 C42 C43 123.6(4) . . ?
F7 C43 C42 121.7(5) . . ?
F7 C43 C44 120.1(4) . . ?
C42 C43 C44 118.2(5) . . ?
F8 C44 C45 119.7(5) . . ?
F8 C44 C43 119.4(5) . . ?
C45 C44 C43 120.8(5) . . ?
F9 C45 C44 121.3(5) . . ?
F9 C45 C46 119.6(5) . . ?
C44 C45 C46 119.1(5) . . ?
F10 C46 C45 118.3(4) . . ?
F10 C46 C41 119.9(4) . . ?
C45 C46 C41 121.8(5) . . ?
N' Au' C31' 91.25(17) . . y
N' Au' C41' 178.91(17) . . y
C31' Au' C41' 89.77(16) . . y
N' Au' P' 82.98(13) . . y
C31' Au' P' 173.01(12) . . y
C41' Au' P' 96.04(12) . . y
C1' P' C21' 109.8(2) . . y
C1' P' C11' 105.96(19) . . y
C21' P' C11' 108.5(2) . . y
C1' P' Au' 99.54(16) . . y
C21' P' Au' 114.72(15) . . y
C11' P' Au' 117.42(15) . . y
C2' N' Au' 121.2(3) . . y
C6' C1' C2' 120.8(4) . . ?
C6' C1' P' 124.1(4) . . ?
C2' C1' P' 115.0(3) . . ?
N' C2' C1' 120.0(4) . . ?
N' C2' C3' 122.3(5) . . ?
C1' C2' C3' 117.7(4) . . ?
C4' C3' C2' 119.3(5) . . ?
C3' C4' C5' 122.8(4) . . ?
C4' C5' C6' 117.9(5) . . ?
C1' C6' C5' 121.5(5) . . ?
C16' C11' C12' 119.1(4) . . ?
C16' C11' P' 119.8(4) . . ?
C12' C11' P' 120.0(3) . . ?
C13' C12' C11' 120.1(5) . . ?
C14' C13' C12' 120.6(5) . . ?
C13' C14' C15' 119.8(5) . . ?
C16' C15' C14' 120.2(5) . . ?
C15' C16' C11' 120.1(5) . . ?
C22' C21' C26' 119.5(4) . . ?
C22' C21' P' 120.1(4) . . ?
C26' C21' P' 120.2(3) . . ?
C21' C22' C23' 120.1(4) . . ?
C24' C23' C22' 119.5(4) . . ?
C23' C24' C25' 120.9(5) . . ?
C26' C25' C24' 118.9(5) . . ?
C25' C26' C21' 121.1(4) . . ?
C32' C31' C36' 115.4(4) . . ?
C32' C31' Au' 123.2(3) . . ?
C36' C31' Au' 121.4(3) . . ?
F1' C32' C31' 119.8(4) . . ?
F1' C32' C33' 116.9(4) . . ?
C31' C32' C33' 123.3(4) . . ?
F2' C33' C34' 120.9(4) . . ?
F2' C33' C32' 120.5(4) . . ?
C34' C33' C32' 118.6(4) . . ?
F3' C34' C35' 120.0(4) . . ?
F3' C34' C33' 119.7(4) . . ?
C35' C34' C33' 120.2(5) . . ?
F4' C35' C34' 119.5(4) . . ?
F4' C35' C36' 121.1(4) . . ?
C34' C35' C36' 119.4(4) . . ?
F5' C36' C35' 118.1(4) . . ?
F5' C36' C31' 118.8(4) . . ?
C35' C36' C31' 123.0(4) . . ?
C46' C41' C42' 117.4(4) . . ?
C46' C41' Au' 122.2(3) . . ?
C42' C41' Au' 120.3(3) . . ?
F6' C42' C41' 120.5(4) . . ?
F6' C42' C43' 118.0(4) . . ?
C41' C42' C43' 121.4(4) . . ?
F7' C43' C44' 120.9(4) . . ?
F7' C43' C42' 119.6(5) . . ?
C44' C43' C42' 119.4(5) . . ?
C43' C44' F8' 119.9(5) . . ?
C43' C44' C45' 120.9(5) . . ?
F8' C44' C45' 119.2(5) . . ?
F9' C45' C44' 121.1(4) . . ?
F9' C45' C46' 119.4(4) . . ?
C44' C45' C46' 119.5(4) . . ?
F10' C46' C41' 120.2(4) . . ?
F10' C46' C45' 118.4(4) . . ?
C41' C46' C45' 121.4(4) . . ?
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
Au N 2.028(4) . y
Au C41 2.041(4) . y
Au C31 2.067(4) . y
Au P 2.3254(13) . y
P C1 1.786(4) . y
P C11 1.792(4) . y
P C21 1.803(4) . y
N C2 1.356(6) . y
C1 C6 1.375(6) . ?
C1 C2 1.412(6) . ?
C2 C3 1.411(6) . ?
C3 C4 1.359(7) . ?
C4 C5 1.398(7) . ?
C5 C6 1.388(6) . ?
C11 C12 1.394(5) . ?
C11 C16 1.397(5) . ?
C12 C13 1.389(6) . ?
C13 C14 1.379(6) . ?
C14 C15 1.381(6) . ?
C15 C16 1.378(6) . ?
C21 C22 1.389(6) . ?
C21 C26 1.394(6) . ?
C22 C23 1.384(6) . ?
C23 C24 1.365(6) . ?
C24 C25 1.379(6) . ?
C25 C26 1.386(6) . ?
C31 C32 1.382(6) . ?
C31 C36 1.388(6) . ?
C32 F1 1.353(4) . ?
C32 C33 1.363(6) . ?
C33 F2 1.361(5) . ?
C33 C34 1.387(6) . ?
C34 F3 1.325(5) . ?
C34 C35 1.377(6) . ?
C35 F4 1.351(5) . ?
C35 C36 1.375(6) . ?
C36 F5 1.355(5) . ?
C41 C42 1.358(6) . ?
C41 C46 1.393(5) . ?
C42 F6 1.352(5) . ?
C42 C43 1.379(6) . ?
C43 F7 1.341(5) . ?
C43 C44 1.381(6) . ?
C44 F8 1.352(5) . ?
C44 C45 1.358(7) . ?
C45 F9 1.340(5) . ?
C45 C46 1.391(6) . ?
C46 F10 1.356(5) . ?
Au' N' 2.024(4) . y
Au' C31' 2.050(5) . y
Au' C41' 2.053(4) . y
Au' P' 2.3174(13) . y
P' C1' 1.791(4) . y
P' C21' 1.803(5) . y
P' C11' 1.805(4) . y
N' C2' 1.359(6) . y
C1' C6' 1.377(6) . ?
C1' C2' 1.408(6) . ?
C2' C3' 1.424(6) . ?
C3' C4' 1.375(6) . ?
C4' C5' 1.382(7) . ?
C5' C6' 1.384(6) . ?
C11' C16' 1.389(6) . ?
C11' C12' 1.393(6) . ?
C12' C13' 1.374(6) . ?
C13' C14' 1.370(6) . ?
C14' C15' 1.383(6) . ?
C15' C16' 1.377(6) . ?
C21' C22' 1.379(6) . ?
C21' C26' 1.397(5) . ?
C22' C23' 1.392(6) . ?
C23' C24' 1.378(6) . ?
C24' C25' 1.399(6) . ?
C25' C26' 1.365(6) . ?
C31' C32' 1.362(6) . ?
C31' C36' 1.389(6) . ?
C32' F1' 1.360(4) . ?
C32' C33' 1.387(6) . ?
C33' F2' 1.349(5) . ?
C33' C34' 1.372(6) . ?
C34' F3' 1.345(5) . ?
C34' C35' 1.359(6) . ?
C35' F4' 1.349(5) . ?
C35' C36' 1.368(6) . ?
C36' F5' 1.368(5) . ?
C41' C46' 1.375(5) . ?
C41' C42' 1.378(6) . ?
C42' F6' 1.341(5) . ?
C42' C43' 1.392(6) . ?
C43' F7' 1.345(5) . ?
C43' C44' 1.353(6) . ?
C44' F8' 1.354(5) . ?
C44' C45' 1.357(6) . ?
C45' F9' 1.352(5) . ?
C45' C46' 1.391(6) . ?
C46' F10' 1.345(5) . ?
