#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:09:31 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179278 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/98/4319871.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_4319871
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            'C68 H48 Au3 Cl5 F10 N O4 P3'
_chemical_formula_weight         1994.13
_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                77.029(3)
_cell_angle_beta                 84.443(3)
_cell_angle_gamma                83.508(3)
_cell_formula_units_Z            2
_cell_length_a                   13.4946(12)
_cell_length_b                   14.2351(12)
_cell_length_c                   18.5302(16)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     3437.1(5)
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'ω-scan & φ-scan'
_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  0.0459
_diffrn_reflns_av_sigmaI/netI    0.0424
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            59536
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    6.726
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.555
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.190
_refine_diff_density_min         -1.856
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     864
_refine_ls_number_reflns         19933
_refine_ls_number_restraints     296
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0277
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0344P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0651
_reflns_number_gt                16545
_reflns_number_total             19933
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0100875_4.cif
_cod_data_source_block           sofia
_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 (43 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 (20
times).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4319871
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
Au1 Au 0.707679(9) 0.476879(9) 0.812257(6) 0.01370(3) Uani 1 1 d . . .
Au2 Au 0.686399(10) 0.229147(9) 0.835801(6) 0.01488(3) Uani 1 1 d . . .
Au3 Au 0.688501(10) 0.352636(9) 0.683211(6) 0.01631(3) Uani 1 1 d . . .
P1 P 0.55620(7) 0.57026(6) 0.79906(5) 0.01535(16) Uani 1 1 d . . .
P2 P 0.74889(7) 0.07519(6) 0.87388(5) 0.01667(17) Uani 1 1 d . . .
P3 P 0.74090(7) 0.33465(7) 0.56763(5) 0.02001(18) Uani 1 1 d . . .
N N 0.6306(2) 0.36962(19) 0.78955(14) 0.0139(5) Uani 1 1 d U . .
C1 C 0.8435(3) 0.3909(2) 0.82542(19) 0.0202(7) Uani 1 1 d DU . .
C2 C 0.9200(3) 0.3974(3) 0.7704(2) 0.0251(8) Uani 1 1 d DU . .
C3 C 1.0148(3) 0.3523(3) 0.7812(3) 0.0328(9) Uani 1 1 d DU . .
C4 C 1.0347(3) 0.2969(3) 0.8500(3) 0.0413(11) Uani 1 1 d DU . .
C5 C 0.9604(3) 0.2866(3) 0.9064(2) 0.0364(10) Uani 1 1 d DU . .
C6 C 0.8668(3) 0.3341(3) 0.8940(2) 0.0257(8) Uani 1 1 d DU . .
F1 F 0.90390(18) 0.45071(17) 0.70111(13) 0.0350(6) Uani 1 1 d D . .
F2 F 1.08827(19) 0.3620(2) 0.72622(18) 0.0535(8) Uani 1 1 d D . .
F3 F 1.1275(2) 0.2532(2) 0.8620(2) 0.0620(9) Uani 1 1 d D . .
F4 F 0.9791(2) 0.2300(2) 0.97352(16) 0.0581(9) Uani 1 1 d D . .
F5 F 0.79729(19) 0.32508(18) 0.95167(12) 0.0355(6) Uani 1 1 d D . .
C11 C 0.7771(2) 0.5838(2) 0.83881(18) 0.0186(7) Uani 1 1 d DU . .
C12 C 0.7658(3) 0.5981(2) 0.9109(2) 0.0226(7) Uani 1 1 d DU . .
C13 C 0.8122(3) 0.6683(3) 0.9323(2) 0.0294(9) Uani 1 1 d DU . .
C14 C 0.8716(3) 0.7267(3) 0.8812(2) 0.0332(9) Uani 1 1 d DU . .
C15 C 0.8861(3) 0.7139(3) 0.8094(2) 0.0298(9) Uani 1 1 d DU . .
C16 C 0.8386(3) 0.6440(3) 0.7890(2) 0.0245(7) Uani 1 1 d DU . .
F6 F 0.70880(18) 0.54203(16) 0.96279(11) 0.0288(5) Uani 1 1 d D . .
F7 F 0.7976(2) 0.68004(18) 1.00275(14) 0.0425(7) Uani 1 1 d D . .
F8 F 0.9171(2) 0.79480(18) 0.90131(17) 0.0477(7) Uani 1 1 d D . .
F9 F 0.94483(19) 0.77034(18) 0.75963(16) 0.0420(6) Uani 1 1 d D . .
F10 F 0.85318(18) 0.63650(17) 0.71752(13) 0.0336(5) Uani 1 1 d D . .
C21 C 0.5149(3) 0.6322(2) 0.87307(17) 0.0175(6) Uani 1 1 d DU . .
C22 C 0.5525(3) 0.7195(2) 0.87176(19) 0.0212(7) Uani 1 1 d DU . .
H22 H 0.5931 0.7487 0.8297 0.025 Uiso 1 1 calc R . .
C23 C 0.5314(3) 0.7640(3) 0.9312(2) 0.0263(8) Uani 1 1 d DU . .
H23 H 0.5569 0.8239 0.9299 0.032 Uiso 1 1 calc R . .
C24 C 0.4727(3) 0.7210(3) 0.9928(2) 0.0273(8) Uani 1 1 d DU . .
H24 H 0.4593 0.7508 1.0342 0.033 Uiso 1 1 calc R . .
C25 C 0.4338(3) 0.6353(3) 0.9940(2) 0.0267(8) Uani 1 1 d DU . .
H25 H 0.3927 0.6068 1.0359 0.032 Uiso 1 1 calc R . .
C26 C 0.4541(3) 0.5899(3) 0.9343(2) 0.0242(8) Uani 1 1 d DU . .
H26 H 0.4269 0.5309 0.9352 0.029 Uiso 1 1 calc R . .
C31 C 0.5529(3) 0.6608(2) 0.71305(17) 0.0177(6) Uani 1 1 d DU . .
C32 C 0.4682(3) 0.7258(3) 0.7006(2) 0.0252(8) Uani 1 1 d DU . .
H32 H 0.4147 0.7251 0.7380 0.030 Uiso 1 1 calc R . .
C33 C 0.4621(3) 0.7922(3) 0.6326(2) 0.0306(9) Uani 1 1 d DU . .
H33 H 0.4036 0.8355 0.6231 0.037 Uiso 1 1 calc R . .
C34 C 0.5415(3) 0.7948(3) 0.5792(2) 0.0280(8) Uani 1 1 d DU . .
H34 H 0.5376 0.8406 0.5334 0.034 Uiso 1 1 calc R . .
C35 C 0.6256(3) 0.7316(3) 0.5920(2) 0.0297(9) Uani 1 1 d DU . .
H35 H 0.6797 0.7341 0.5550 0.036 Uiso 1 1 calc R . .
C36 C 0.6322(3) 0.6634(3) 0.6591(2) 0.0255(8) Uani 1 1 d DU . .
H36 H 0.6903 0.6194 0.6677 0.031 Uiso 1 1 calc R . .
C41 C 0.4755(3) 0.4794(2) 0.79744(18) 0.0177(6) Uani 1 1 d DU . .
C42 C 0.3709(3) 0.4980(3) 0.7972(2) 0.0238(7) Uani 1 1 d DU . .
H42 H 0.3395 0.5598 0.8017 0.029 Uiso 1 1 calc R . .
C43 C 0.3143(3) 0.4264(3) 0.7905(2) 0.0278(8) Uani 1 1 d DU . .
H43 H 0.2436 0.4385 0.7904 0.033 Uiso 1 1 calc R . .
C44 C 0.3608(3) 0.3360(3) 0.7838(2) 0.0241(7) Uani 1 1 d DU . .
H44 H 0.3214 0.2869 0.7787 0.029 Uiso 1 1 calc R . .
C45 C 0.4635(3) 0.3167(2) 0.78443(18) 0.0189(7) Uani 1 1 d DU . .
H45 H 0.4938 0.2544 0.7802 0.023 Uiso 1 1 calc R . .
C46 C 0.5235(2) 0.3888(2) 0.79135(16) 0.0153(6) Uani 1 1 d DU . .
C51 C 0.7133(3) 0.0159(2) 0.96813(18) 0.0178(6) Uani 1 1 d DU . .
C52 C 0.6924(3) 0.0696(3) 1.02318(19) 0.0223(7) Uani 1 1 d DU . .
H52 H 0.6975 0.1375 1.0110 0.027 Uiso 1 1 calc R . .
C53 C 0.6645(3) 0.0248(3) 1.0950(2) 0.0284(8) Uani 1 1 d DU . .
H53 H 0.6501 0.0619 1.1321 0.034 Uiso 1 1 calc R . .
C54 C 0.6573(3) -0.0744(3) 1.1133(2) 0.0269(8) Uani 1 1 d DU . .
H54 H 0.6374 -0.1048 1.1628 0.032 Uiso 1 1 calc R . .
C55 C 0.6789(3) -0.1294(3) 1.0599(2) 0.0276(8) Uani 1 1 d DU . .
H55 H 0.6753 -0.1974 1.0728 0.033 Uiso 1 1 calc R . .
C56 C 0.7059(3) -0.0839(3) 0.98706(19) 0.0249(8) Uani 1 1 d DU . .
H56 H 0.7194 -0.1210 0.9500 0.030 Uiso 1 1 calc R . .
C61 C 0.8836(3) 0.0618(2) 0.86135(19) 0.0207(7) Uani 1 1 d DU . .
C62 C 0.9277(3) 0.1157(3) 0.7965(2) 0.0339(10) Uani 1 1 d DU . .
H62 H 0.8869 0.1598 0.7627 0.041 Uiso 1 1 calc R . .
C63 C 1.0302(3) 0.1058(3) 0.7808(3) 0.0395(11) Uani 1 1 d DU . .
H63 H 1.0596 0.1430 0.7364 0.047 Uiso 1 1 calc R . .
C64 C 1.0895(3) 0.0413(3) 0.8299(2) 0.0350(9) Uani 1 1 d DU . .
H64 H 1.1598 0.0333 0.8187 0.042 Uiso 1 1 calc R . .
C65 C 1.0471(3) -0.0114(3) 0.8952(2) 0.0328(9) Uani 1 1 d DU . .
H65 H 1.0884 -0.0542 0.9294 0.039 Uiso 1 1 calc R . .
C66 C 0.9432(3) -0.0019(3) 0.9111(2) 0.0258(8) Uani 1 1 d DU . .
H66 H 0.9139 -0.0388 0.9556 0.031 Uiso 1 1 calc R . .
C71 C 0.7064(3) 0.0039(2) 0.81475(18) 0.0188(7) Uani 1 1 d DU . .
C72 C 0.6038(3) 0.0093(3) 0.8078(2) 0.0250(8) Uani 1 1 d DU . .
H72 H 0.5590 0.0468 0.8355 0.030 Uiso 1 1 calc R . .
C73 C 0.5668(3) -0.0397(3) 0.7607(2) 0.0294(8) Uani 1 1 d DU . .
H73 H 0.4969 -0.0365 0.7564 0.035 Uiso 1 1 calc R . .
C74 C 0.6329(3) -0.0930(3) 0.7204(2) 0.0312(9) Uani 1 1 d DU . .
H74 H 0.6082 -0.1265 0.6880 0.037 Uiso 1 1 calc R . .
C75 C 0.7349(3) -0.0981(3) 0.7266(2) 0.0321(9) Uani 1 1 d DU . .
H75 H 0.7796 -0.1347 0.6983 0.038 Uiso 1 1 calc R . .
C76 C 0.7719(3) -0.0502(3) 0.7738(2) 0.0263(8) Uani 1 1 d DU . .
H76 H 0.8419 -0.0541 0.7781 0.032 Uiso 1 1 calc R . .
C81 C 0.6784(3) 0.4295(3) 0.49988(18) 0.0225(7) Uani 1 1 d DU . .
C82 C 0.6955(3) 0.5247(3) 0.4974(2) 0.0361(10) Uani 1 1 d DU . .
H82 H 0.7405 0.5380 0.5294 0.043 Uiso 1 1 calc R . .
C83 C 0.6471(4) 0.6003(3) 0.4484(3) 0.0417(11) Uani 1 1 d DU . .
H83 H 0.6598 0.6652 0.4463 0.050 Uiso 1 1 calc R . .
C84 C 0.5803(4) 0.5810(3) 0.4029(2) 0.0370(10) Uani 1 1 d DU . .
H84 H 0.5466 0.6326 0.3696 0.044 Uiso 1 1 calc R . .
C85 C 0.5629(4) 0.4872(3) 0.4058(2) 0.0404(11) Uani 1 1 d DU . .
H85 H 0.5165 0.4743 0.3746 0.048 Uiso 1 1 calc R . .
C86 C 0.6122(3) 0.4104(3) 0.4538(2) 0.0322(9) Uani 1 1 d DU . .
H86 H 0.6004 0.3456 0.4549 0.039 Uiso 1 1 calc R . .
C91 C 0.8735(3) 0.3405(3) 0.5433(2) 0.0282(8) Uani 1 1 d DU . .
C92 C 0.9100(4) 0.3832(4) 0.4719(3) 0.0556(15) Uani 1 1 d DU . .
H92 H 0.8650 0.4151 0.4357 0.067 Uiso 1 1 calc R . .
C93 C 1.0127(5) 0.3789(5) 0.4539(4) 0.080(2) Uani 1 1 d DU . .
H93 H 1.0377 0.4083 0.4053 0.096 Uiso 1 1 calc R . .
C94 C 1.0783(4) 0.3326(5) 0.5056(4) 0.0708(18) Uani 1 1 d DU . .
H94 H 1.1483 0.3306 0.4929 0.085 Uiso 1 1 calc R . .
C95 C 1.0427(4) 0.2893(5) 0.5752(3) 0.0709(19) Uani 1 1 d DU . .
H95 H 1.0879 0.2558 0.6107 0.085 Uiso 1 1 calc R . .
C96 C 0.9400(3) 0.2945(4) 0.5941(3) 0.0517(14) Uani 1 1 d DU . .
H96 H 0.9158 0.2657 0.6430 0.062 Uiso 1 1 calc R . .
C101 C 0.7127(3) 0.2204(3) 0.55080(19) 0.0221(7) Uani 1 1 d DU . .
C102 C 0.6294(3) 0.1768(3) 0.5880(2) 0.0270(8) Uani 1 1 d DU . .
H102 H 0.5892 0.2057 0.6236 0.032 Uiso 1 1 calc R . .
C103 C 0.6050(3) 0.0910(3) 0.5731(2) 0.0300(9) Uani 1 1 d DU . .
H103 H 0.5476 0.0619 0.5980 0.036 Uiso 1 1 calc R . .
C104 C 0.6645(3) 0.0481(3) 0.5219(2) 0.0336(9) Uani 1 1 d DU . .
H104 H 0.6485 -0.0111 0.5124 0.040 Uiso 1 1 calc R . .
C105 C 0.7462(3) 0.0909(3) 0.4850(2) 0.0352(9) Uani 1 1 d DU . .
H105 H 0.7861 0.0614 0.4496 0.042 Uiso 1 1 calc R . .
C106 C 0.7714(3) 0.1769(3) 0.4986(2) 0.0330(9) Uani 1 1 d DU . .
H106 H 0.8282 0.2060 0.4726 0.040 Uiso 1 1 calc R . .
Cl1 Cl 0.67803(8) 0.88555(8) 0.33814(6) 0.0385(2) Uani 1 1 d . . .
O1 O 0.6754(4) 0.9852(3) 0.3068(3) 0.104(2) Uani 1 1 d . . .
O2 O 0.7654(3) 0.8338(4) 0.3110(3) 0.0923(17) Uani 1 1 d . . .
O3 O 0.6721(4) 0.8638(3) 0.4167(2) 0.0723(13) Uani 1 1 d . . .
O4 O 0.5944(3) 0.8486(3) 0.3131(2) 0.0537(9) Uani 1 1 d . . .
C98 C 0.8151(5) 0.1731(4) 0.2355(3) 0.0638(16) Uani 1 1 d D . .
H98A H 0.8861 0.1550 0.2211 0.077 Uiso 1 1 calc R . .
H98B H 0.7850 0.1134 0.2618 0.077 Uiso 1 1 calc R . .
Cl2 Cl 0.75233(14) 0.22478(13) 0.15563(10) 0.0760(5) Uani 1 1 d DU . .
Cl3 Cl 0.80840(11) 0.25516(12) 0.29616(8) 0.0608(4) Uani 1 1 d DU . .
C99 C 0.9879(7) 0.4826(7) 0.9987(5) 0.0244(17) Uiso 0.50 1 d PD A -1
H99A H 1.0202 0.4166 0.9987 0.029 Uiso 0.50 1 calc PR A -1
H99B H 0.9292 0.4900 0.9690 0.029 Uiso 0.50 1 calc PR A -1
Cl4 Cl 1.0778(8) 0.5653(7) 0.9380(8) 0.56(2) Uani 0.50 1 d PDU A -1
Cl5 Cl 0.9312(8) 0.4748(7) 1.0987(6) 0.271(7) Uani 0.50 1 d PDU A -1
C97 C 0.9961(9) -0.0019(9) 0.4858(4) 0.043(2) Uiso 0.50 1 d PD B -2
H97A H 1.0665 -0.0013 0.4963 0.052 Uiso 0.50 1 calc PR B -2
H97B H 0.9609 0.0595 0.4955 0.052 Uiso 0.50 1 calc PR B -2
Cl6 Cl 0.9423(7) -0.1046(8) 0.5649(4) 0.285(7) Uani 0.50 1 d PDU B -2
Cl7 Cl 0.9989(6) 0.0125(5) 0.3651(4) 0.181(3) Uani 0.50 1 d PDU B -2
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'
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'
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
_geom_angle_publ_flag
C11 Au1 N 176.81(12) . . y
C11 Au1 C1 87.07(13) . . y
N Au1 C1 95.03(12) . . y
C11 Au1 P1 93.39(9) . . y
N Au1 P1 84.47(8) . . y
C1 Au1 P1 179.12(10) . . y
C11 Au1 Au3 145.26(9) . . y
N Au1 Au3 37.68(7) . . y
C1 Au1 Au3 82.50(9) . . y
P1 Au1 Au3 97.52(2) . . y
N Au2 P2 174.17(7) . . y
N Au2 Au3 44.99(7) . . y
P2 Au2 Au3 129.33(2) . . y
N Au3 P3 176.53(8) . . y
N Au3 Au2 44.29(7) . . y
P3 Au3 Au2 136.84(3) . . y
N Au3 Au1 37.17(7) . . y
P3 Au3 Au1 145.15(3) . . y
Au2 Au3 Au1 67.190(8) . . y
C41 P1 C21 110.85(16) . . y
C41 P1 C31 109.86(15) . . y
C21 P1 C31 106.89(15) . . y
C41 P1 Au1 100.33(12) . . y
C21 P1 Au1 115.46(11) . . y
C31 P1 Au1 113.34(12) . . y
C61 P2 C51 107.74(16) . . y
C61 P2 C71 105.40(16) . . y
C51 P2 C71 106.03(16) . . y
C61 P2 Au2 111.91(11) . . y
C51 P2 Au2 116.96(11) . . y
C71 P2 Au2 108.04(11) . . y
C91 P3 C101 105.69(18) . . y
C91 P3 C81 106.04(18) . . y
C101 P3 C81 106.83(16) . . y
C91 P3 Au3 115.42(13) . . y
C101 P3 Au3 112.42(12) . . y
C81 P3 Au3 109.89(12) . . y
C46 N Au2 116.5(2) . . y
C46 N Au1 116.0(2) . . y
Au2 N Au1 114.51(12) . . y
C46 N Au3 110.14(18) . . y
Au2 N Au3 90.72(10) . . y
Au1 N Au3 105.15(12) . . y
C2 C1 C6 115.8(3) . . ?
C2 C1 Au1 122.3(3) . . ?
C6 C1 Au1 121.3(3) . . ?
F1 C2 C1 120.0(3) . . ?
F1 C2 C3 116.7(4) . . ?
C1 C2 C3 123.3(4) . . ?
F2 C3 C4 119.5(4) . . ?
F2 C3 C2 121.6(4) . . ?
C4 C3 C2 119.0(4) . . ?
F3 C4 C5 120.3(4) . . ?
F3 C4 C3 119.8(4) . . ?
C5 C4 C3 119.9(4) . . ?
F4 C5 C4 120.0(4) . . ?
F4 C5 C6 120.4(4) . . ?
C4 C5 C6 119.6(4) . . ?
F5 C6 C5 117.6(3) . . ?
F5 C6 C1 120.1(3) . . ?
C5 C6 C1 122.4(4) . . ?
C12 C11 C16 115.9(3) . . ?
C12 C11 Au1 119.9(3) . . ?
C16 C11 Au1 124.2(3) . . ?
F6 C12 C13 117.8(3) . . ?
F6 C12 C11 119.8(3) . . ?
C13 C12 C11 122.4(4) . . ?
F7 C13 C14 120.3(4) . . ?
F7 C13 C12 119.9(4) . . ?
C14 C13 C12 119.7(4) . . ?
F8 C14 C13 120.3(4) . . ?
F8 C14 C15 119.9(4) . . ?
C13 C14 C15 119.8(4) . . ?
F9 C15 C14 119.9(4) . . ?
F9 C15 C16 120.6(4) . . ?
C14 C15 C16 119.6(4) . . ?
F10 C16 C15 117.1(3) . . ?
F10 C16 C11 120.3(3) . . ?
C15 C16 C11 122.5(4) . . ?
C22 C21 C26 119.8(3) . . ?
C22 C21 P1 118.5(3) . . ?
C26 C21 P1 121.3(3) . . ?
C23 C22 C21 120.4(3) . . ?
C22 C23 C24 119.8(4) . . ?
C25 C24 C23 120.1(3) . . ?
C24 C25 C26 120.7(3) . . ?
C25 C26 C21 119.2(3) . . ?
C36 C31 C32 120.3(3) . . ?
C36 C31 P1 120.8(3) . . ?
C32 C31 P1 118.9(3) . . ?
C31 C32 C33 119.5(4) . . ?
C34 C33 C32 119.9(4) . . ?
C35 C34 C33 120.5(3) . . ?
C34 C35 C36 120.4(4) . . ?
C31 C36 C35 119.4(4) . . ?
C46 C41 C42 121.2(3) . . ?
C46 C41 P1 115.6(3) . . ?
C42 C41 P1 123.0(3) . . ?
C43 C42 C41 119.8(3) . . ?
C42 C43 C44 119.8(4) . . ?
C45 C44 C43 121.0(3) . . ?
C44 C45 C46 120.5(3) . . ?
C41 C46 C45 117.8(3) . . ?
C41 C46 N 121.7(3) . . ?
C45 C46 N 120.4(3) . . ?
C56 C51 C52 119.1(3) . . ?
C56 C51 P2 120.8(3) . . ?
C52 C51 P2 120.2(3) . . ?
C53 C52 C51 120.4(3) . . ?
C52 C53 C54 120.1(4) . . ?
C55 C54 C53 120.6(3) . . ?
C54 C55 C56 119.3(4) . . ?
C55 C56 C51 120.5(3) . . ?
C66 C61 C62 119.6(4) . . ?
C66 C61 P2 123.2(3) . . ?
C62 C61 P2 117.1(3) . . ?
C63 C62 C61 120.8(4) . . ?
C64 C63 C62 119.6(4) . . ?
C63 C64 C65 120.3(4) . . ?
C64 C65 C66 120.2(4) . . ?
C61 C66 C65 119.5(4) . . ?
C76 C71 C72 119.7(3) . . ?
C76 C71 P2 122.7(3) . . ?
C72 C71 P2 117.6(3) . . ?
C73 C72 C71 120.4(4) . . ?
C74 C73 C72 119.2(4) . . ?
C73 C74 C75 120.6(4) . . ?
C76 C75 C74 120.4(4) . . ?
C75 C76 C71 119.7(4) . . ?
C86 C81 C82 119.7(4) . . ?
C86 C81 P3 122.4(3) . . ?
C82 C81 P3 117.8(3) . . ?
C83 C82 C81 120.3(4) . . ?
C84 C83 C82 119.9(4) . . ?
C85 C84 C83 119.8(4) . . ?
C84 C85 C86 120.9(4) . . ?
C81 C86 C85 119.4(4) . . ?
C96 C91 C92 118.9(4) . . ?
C96 C91 P3 119.3(3) . . ?
C92 C91 P3 121.5(4) . . ?
C93 C92 C91 119.6(5) . . ?
C94 C93 C92 120.7(5) . . ?
C95 C94 C93 119.9(5) . . ?
C94 C95 C96 119.8(5) . . ?
C91 C96 C95 121.1(5) . . ?
C102 C101 C106 119.3(4) . . ?
C102 C101 P3 119.8(3) . . ?
C106 C101 P3 120.8(3) . . ?
C103 C102 C101 120.2(4) . . ?
C104 C103 C102 119.9(4) . . ?
C105 C104 C103 120.1(4) . . ?
C104 C105 C106 120.9(4) . . ?
C105 C106 C101 119.6(4) . . ?
O1 Cl1 O3 113.4(3) . . ?
O1 Cl1 O2 111.4(4) . . ?
O3 Cl1 O2 109.3(3) . . ?
O1 Cl1 O4 108.0(3) . . ?
O3 Cl1 O4 109.1(2) . . ?
O2 Cl1 O4 105.3(3) . . ?
Cl2 C98 Cl3 111.2(3) . . ?
Cl4 C99 Cl5 132.1(5) . . ?
Cl6 C97 Cl7 128.0(7) . . ?
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
Au1 C11 2.046(3) . y
Au1 N 2.079(3) . y
Au1 C1 2.088(4) . y
Au1 P1 2.3113(9) . y
Au1 Au3 3.3219(3) . y
Au2 N 2.077(3) . y
Au2 P2 2.2395(9) . y
Au2 Au3 2.9749(3) . y
Au3 N 2.104(3) . y
Au3 P3 2.2505(9) . y
P1 C41 1.790(3) . y
P1 C21 1.803(3) . y
P1 C31 1.812(3) . y
P2 C61 1.805(4) . y
P2 C51 1.806(3) . y
P2 C71 1.820(4) . y
P3 C91 1.808(4) . y
P3 C101 1.811(4) . y
P3 C81 1.816(4) . y
N C46 1.438(4) . y
C1 C2 1.375(5) . ?
C1 C6 1.388(5) . ?
C2 F1 1.360(4) . ?
C2 C3 1.376(5) . ?
C3 F2 1.346(5) . ?
C3 C4 1.374(6) . ?
C4 F3 1.349(5) . ?
C4 C5 1.371(6) . ?
C5 F4 1.351(5) . ?
C5 C6 1.378(5) . ?
C6 F5 1.345(4) . ?
C11 C12 1.387(5) . ?
C11 C16 1.390(5) . ?
C12 F6 1.344(4) . ?
C12 C13 1.384(5) . ?
C13 F7 1.346(4) . ?
C13 C14 1.371(6) . ?
C14 F8 1.340(4) . ?
C14 C15 1.375(6) . ?
C15 F9 1.339(4) . ?
C15 C16 1.380(5) . ?
C16 F10 1.347(4) . ?
C21 C22 1.389(5) . ?
C21 C26 1.394(5) . ?
C22 C23 1.381(5) . ?
C23 C24 1.388(5) . ?
C24 C25 1.377(5) . ?
C25 C26 1.392(5) . ?
C31 C36 1.390(5) . ?
C31 C32 1.390(5) . ?
C32 C33 1.399(5) . ?
C33 C34 1.383(5) . ?
C34 C35 1.371(6) . ?
C35 C36 1.398(5) . ?
C41 C46 1.399(5) . ?
C41 C42 1.407(5) . ?
C42 C43 1.375(5) . ?
C43 C44 1.392(5) . ?
C44 C45 1.382(5) . ?
C45 C46 1.412(5) . ?
C51 C56 1.397(5) . ?
C51 C52 1.397(5) . ?
C52 C53 1.376(5) . ?
C53 C54 1.389(5) . ?
C54 C55 1.384(5) . ?
C55 C56 1.393(5) . ?
C61 C66 1.387(5) . ?
C61 C62 1.392(5) . ?
C62 C63 1.384(6) . ?
C63 C64 1.382(6) . ?
C64 C65 1.383(6) . ?
C65 C66 1.401(5) . ?
C71 C76 1.389(5) . ?
C71 C72 1.394(5) . ?
C72 C73 1.392(5) . ?
C73 C74 1.379(6) . ?
C74 C75 1.385(6) . ?
C75 C76 1.381(5) . ?
C81 C86 1.380(5) . ?
C81 C82 1.390(5) . ?
C82 C83 1.388(6) . ?
C83 C84 1.381(6) . ?
C84 C85 1.370(6) . ?
C85 C86 1.395(6) . ?
C91 C96 1.369(6) . ?
C91 C92 1.395(6) . ?
C92 C93 1.392(7) . ?
C93 C94 1.373(8) . ?
C94 C95 1.365(8) . ?
C95 C96 1.394(7) . ?
C101 C102 1.393(5) . ?
C101 C106 1.399(5) . ?
C102 C103 1.392(5) . ?
C103 C104 1.385(6) . ?
C104 C105 1.369(6) . ?
C105 C106 1.388(6) . ?
Cl1 O1 1.405(4) . ?
Cl1 O3 1.414(4) . ?
Cl1 O2 1.429(4) . ?
Cl1 O4 1.453(4) . ?
C98 Cl2 1.749(6) . ?
C98 Cl3 1.784(6) . ?
C99 Cl4 1.893(14) . ?
C99 Cl5 1.921(11) . ?
C97 Cl6 1.970(12) . ?
C97 Cl7 2.197(10) . ?
