#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/33/4313356.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_4313356
loop_
_publ_author_name
'Vincent J. Catalano'
'Mark A. Malwitz'
'Stephen J. Horner'
'John Vasquez'
_publ_contact_author_address
;
Department of Chemistry
University of Nevada
Reno, NV  89557
;
_publ_contact_author_email       vjc@unr.edu
_publ_contact_author_name        'Professor Vincent J. Catalano'
_publ_contact_author_phone       '775 784 1329'
_publ_section_title
;
 Three- and Four-Coordinate Gold(I) Complexes of
 3,6-Bis(diphenylphosphino)pyridazine: Monomers, Polymers, and a
 Metallocryptand Cage
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2141
_journal_page_last               2148
_journal_paper_doi               10.1021/ic020601m
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C98.25 H64 Au2 Cl1.5 F12 N6 P8'
_chemical_formula_weight         2251.42
_chemical_name_common            2
_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                95.600(4)
_cell_angle_beta                 102.745(3)
_cell_angle_gamma                112.860(2)
_cell_formula_units_Z            2
_cell_length_a                   16.233(2)
_cell_length_b                   16.303(2)
_cell_length_c                   20.110(3)
_cell_measurement_reflns_used    972
_cell_measurement_temperature    91(2)
_cell_volume                     4682.7(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      91(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0528
_diffrn_reflns_av_sigmaI/netI    0.0792
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            21205
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    3.383
_exptl_absorpt_correction_T_max  0.7384
_exptl_absorpt_correction_T_min  0.4973
_exptl_absorpt_correction_type   'sad abs'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2214
_exptl_crystal_size_max          .24
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .10
_refine_diff_density_max         2.382
_refine_diff_density_min         -1.570
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1159
_refine_ls_number_reflns         21205
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0912
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0800P)²+20.5000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1342
_refine_ls_wR_factor_ref         0.1620
_reflns_number_gt                14331
_reflns_number_total             21205
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020601m_3.cif
_cod_data_source_block           mn1341a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4682.5(11)
_cod_original_formula_sum        'C98.25 H64 Au2 Cl1.50 F12 N6 P8'
_cod_database_code               4313356
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 0.485300(18) 1.070950(19) 0.753106(15) 0.02412(9) Uani 1 1 d . . .
Au2 Au 0.875889(19) 0.87506(2) 0.715311(16) 0.02608(9) Uani 1 1 d . . .
P1 P 0.62733(12) 1.18135(13) 0.74488(10) 0.0233(4) Uani 1 1 d . . .
P2 P 0.93347(12) 1.03555(13) 0.74187(11) 0.0239(4) Uani 1 1 d . . .
P3 P 0.42270(12) 0.91570(13) 0.70287(11) 0.0247(4) Uani 1 1 d . . .
P4 P 0.72170(13) 0.77896(13) 0.65250(12) 0.0301(5) Uani 1 1 d . . .
P5 P 0.39878(13) 1.13032(15) 0.80807(11) 0.0276(4) Uani 1 1 d . . .
P6 P 0.99314(13) 0.82065(14) 0.73715(11) 0.0265(4) Uani 1 1 d . . .
P7 P 0.2458(2) 0.9522(2) 0.04841(13) 0.0590(8) Uani 1 1 d . . .
P8 P 0.0205(2) 0.5808(2) 0.3092(3) 0.0832(13) Uani 1 1 d . . .
F1 F 0.2252(4) 0.9908(5) 0.1162(3) 0.0615(16) Uani 1 1 d . . .
F2 F 0.1911(8) 0.8506(6) 0.0576(4) 0.113(3) Uani 1 1 d . . .
F3 F 0.2921(7) 1.0495(6) 0.0358(5) 0.103(3) Uani 1 1 d . . .
F4 F 0.3370(6) 0.9535(7) 0.0966(3) 0.109(3) Uani 1 1 d . . .
F5 F 0.2675(6) 0.9137(7) -0.0186(3) 0.097(3) Uani 1 1 d . . .
F6 F 0.1474(6) 0.9414(6) 0.0004(3) 0.090(2) Uani 1 1 d . . .
F7 F 0.0845(5) 0.6661(6) 0.3711(4) 0.089(2) Uani 1 1 d . . .
F8 F -0.0650(5) 0.6038(6) 0.3055(5) 0.107(3) Uani 1 1 d . . .
F9 F -0.0453(6) 0.4939(6) 0.2536(7) 0.146(5) Uani 1 1 d . . .
F10 F 0.1039(7) 0.5546(7) 0.3100(10) 0.214(9) Uani 1 1 d . . .
F11 F 0.0489(9) 0.6382(8) 0.2561(6) 0.161(5) Uani 1 1 d . . .
F12 F 0.0002(12) 0.5223(10) 0.3646(10) 0.250(10) Uani 1 1 d . . .
N1 N 0.7080(4) 1.0804(4) 0.7016(3) 0.0273(14) Uani 1 1 d . . .
N2 N 0.7727(4) 1.0487(4) 0.6998(3) 0.0281(14) Uani 1 1 d . . .
N3 N 0.4892(4) 0.8121(5) 0.6373(4) 0.0304(15) Uani 1 1 d . . .
N4 N 0.5533(4) 0.7828(5) 0.6271(4) 0.0308(15) Uani 1 1 d . . .
N5 N 0.2329(4) 1.0049(5) 0.7320(3) 0.0285(14) Uani 1 1 d . . .
N6 N 1.1476(4) 0.9382(4) 0.7168(3) 0.0231(13) Uani 1 1 d . . .
C1 C 0.7252(5) 1.1484(5) 0.7520(4) 0.0247(15) Uani 1 1 d . . .
C2 C 0.8093(5) 1.1925(6) 0.8038(4) 0.0298(17) Uani 1 1 d . . .
H2A H 0.8202 1.2426 0.8383 0.036 Uiso 1 1 calc R . .
C3 C 0.8758(5) 1.1607(5) 0.8030(4) 0.0296(17) Uani 1 1 d . . .
H3A H 0.9346 1.1875 0.8372 0.035 Uiso 1 1 calc R . .
C4 C 0.8542(5) 1.0881(5) 0.7505(4) 0.0262(16) Uani 1 1 d . . .
C5 C 0.6754(5) 1.2831(6) 0.8126(5) 0.0345(19) Uani 1 1 d . . .
C6 C 0.6804(6) 1.2743(6) 0.8805(4) 0.0361(19) Uani 1 1 d . . .
H6A H 0.6635 1.2160 0.8922 0.043 Uiso 1 1 calc R . .
C7 C 0.7106(7) 1.3516(9) 0.9324(5) 0.060(3) Uani 1 1 d . . .
H7A H 0.7155 1.3457 0.9795 0.072 Uiso 1 1 calc R . .
C8 C 0.7332(8) 1.4364(8) 0.9158(7) 0.065(3) Uani 1 1 d . . .
H8A H 0.7517 1.4882 0.9513 0.078 Uiso 1 1 calc R . .
C9 C 0.7292(8) 1.4462(8) 0.8491(7) 0.066(3) Uani 1 1 d . . .
H9A H 0.7452 1.5049 0.8383 0.079 Uiso 1 1 calc R . .
C10 C 0.7014(7) 1.3699(7) 0.7955(6) 0.048(2) Uani 1 1 d . . .
H10A H 0.7001 1.3770 0.7490 0.058 Uiso 1 1 calc R . .
C11 C 0.6166(5) 1.2153(5) 0.6624(4) 0.0270(16) Uani 1 1 d . . .
C12 C 0.5305(5) 1.1942(5) 0.6174(4) 0.0305(17) Uani 1 1 d . . .
H12A H 0.4757 1.1625 0.6307 0.037 Uiso 1 1 calc R . .
C13 C 0.5228(6) 1.2188(6) 0.5523(5) 0.038(2) Uani 1 1 d . . .
H13A H 0.4630 1.2037 0.5217 0.045 Uiso 1 1 calc R . .
C14 C 0.6001(6) 1.2638(6) 0.5329(5) 0.0353(19) Uani 1 1 d . . .
H14A H 0.5944 1.2811 0.4889 0.042 Uiso 1 1 calc R . .
C15 C 0.6877(6) 1.2850(6) 0.5765(5) 0.037(2) Uani 1 1 d . . .
H15A H 0.7415 1.3151 0.5617 0.045 Uiso 1 1 calc R . .
C16 C 0.6974(5) 1.2623(6) 0.6422(5) 0.0324(18) Uani 1 1 d . . .
H16A H 0.7574 1.2782 0.6728 0.039 Uiso 1 1 calc R . .
C17 C 0.9810(5) 1.0808(5) 0.6733(4) 0.0249(16) Uani 1 1 d . . .
C18 C 0.9848(5) 1.1633(5) 0.6566(4) 0.0307(17) Uani 1 1 d . . .
H18A H 0.9610 1.1973 0.6814 0.037 Uiso 1 1 calc R . .
C19 C 1.0231(6) 1.1958(6) 0.6041(5) 0.037(2) Uani 1 1 d . . .
H19A H 1.0246 1.2514 0.5925 0.045 Uiso 1 1 calc R . .
C20 C 1.0588(6) 1.1477(6) 0.5688(5) 0.036(2) Uani 1 1 d . . .
H20A H 1.0848 1.1699 0.5327 0.044 Uiso 1 1 calc R . .
C21 C 1.0571(6) 1.0665(6) 0.5859(5) 0.0359(19) Uani 1 1 d . . .
H21A H 1.0840 1.0344 0.5627 0.043 Uiso 1 1 calc R . .
C22 C 1.0166(5) 1.0328(5) 0.6360(4) 0.0291(17) Uani 1 1 d . . .
H22A H 1.0126 0.9756 0.6454 0.035 Uiso 1 1 calc R . .
C23 C 1.0274(5) 1.0901(6) 0.8222(4) 0.0325(18) Uani 1 1 d . . .
C24 C 1.1082(6) 1.1639(8) 0.8251(5) 0.050(3) Uani 1 1 d . . .
H24A H 1.1153 1.1889 0.7848 0.060 Uiso 1 1 calc R . .
C25 C 1.1797(7) 1.2018(10) 0.8877(6) 0.076(4) Uani 1 1 d . . .
H25A H 1.2359 1.2519 0.8895 0.091 Uiso 1 1 calc R . .
C26 C 1.1695(9) 1.1675(12) 0.9466(7) 0.084(5) Uani 1 1 d . . .
H26A H 1.2177 1.1942 0.9892 0.101 Uiso 1 1 calc R . .
C27 C 1.0887(10) 1.0942(11) 0.9428(5) 0.073(4) Uani 1 1 d . . .
H27A H 1.0821 1.0701 0.9834 0.087 Uiso 1 1 calc R . .
C28 C 1.0162(8) 1.0540(8) 0.8818(5) 0.051(3) Uani 1 1 d . . .
H28A H 0.9605 1.0034 0.8804 0.062 Uiso 1 1 calc R . .
C29 C 0.5090(5) 0.8714(5) 0.6957(4) 0.0252(16) Uani 1 1 d . . .
C30 C 0.5912(5) 0.9012(5) 0.7488(5) 0.0312(18) Uani 1 1 d . . .
H30A H 0.6020 0.9406 0.7909 0.037 Uiso 1 1 calc R . .
C31 C 0.6572(5) 0.8712(5) 0.7378(5) 0.0326(18) Uani 1 1 d . . .
H31A H 0.7155 0.8901 0.7716 0.039 Uiso 1 1 calc R . .
C32 C 0.6341(5) 0.8124(5) 0.6753(4) 0.0274(17) Uani 1 1 d . . .
C33 C 0.3479(5) 0.8309(5) 0.7422(4) 0.0242(15) Uani 1 1 d . . .
C34 C 0.3117(5) 0.7393(5) 0.7145(5) 0.0324(18) Uani 1 1 d . . .
H34A H 0.3252 0.7186 0.6742 0.039 Uiso 1 1 calc R . .
C35 C 0.2547(6) 0.6773(6) 0.7464(6) 0.044(2) Uani 1 1 d . . .
H35A H 0.2280 0.6141 0.7267 0.053 Uiso 1 1 calc R . .
C36 C 0.2367(6) 0.7058(7) 0.8055(5) 0.045(2) Uani 1 1 d . . .
H36A H 0.1984 0.6628 0.8269 0.054 Uiso 1 1 calc R . .
C37 C 0.2746(6) 0.7981(6) 0.8341(5) 0.037(2) Uani 1 1 d . . .
H37A H 0.2621 0.8187 0.8750 0.045 Uiso 1 1 calc R . .
C38 C 0.3302(5) 0.8591(5) 0.8028(4) 0.0288(17) Uani 1 1 d . . .
H38A H 0.3573 0.9221 0.8231 0.035 Uiso 1 1 calc R . .
C39 C 0.3574(5) 0.9014(5) 0.6132(4) 0.0291(17) Uani 1 1 d . . .
C40 C 0.2605(5) 0.8608(6) 0.5923(5) 0.0356(19) Uani 1 1 d . . .
H40A H 0.2267 0.8378 0.6244 0.043 Uiso 1 1 calc R . .
C41 C 0.2131(6) 0.8543(7) 0.5228(5) 0.046(2) Uani 1 1 d . . .
H41A H 0.1470 0.8247 0.5076 0.056 Uiso 1 1 calc R . .
C42 C 0.2609(7) 0.8898(7) 0.4780(5) 0.044(2) Uani 1 1 d . . .
H42A H 0.2280 0.8857 0.4315 0.053 Uiso 1 1 calc R . .
C43 C 0.3571(6) 0.9320(6) 0.4987(5) 0.038(2) Uani 1 1 d . . .
H43A H 0.3900 0.9563 0.4665 0.045 Uiso 1 1 calc R . .
C44 C 0.4054(6) 0.9388(5) 0.5663(5) 0.0342(19) Uani 1 1 d . . .
H44A H 0.4716 0.9689 0.5807 0.041 Uiso 1 1 calc R . .
C45 C 0.6781(6) 0.6566(6) 0.6481(6) 0.040(2) Uani 1 1 d . . .
C46 C 0.7395(6) 0.6206(6) 0.6757(6) 0.045(2) Uani 1 1 d . . .
H46A H 0.8029 0.6604 0.6983 0.054 Uiso 1 1 calc R . .
C47 C 0.7105(7) 0.5284(6) 0.6711(7) 0.058(3) Uani 1 1 d . . .
H47A H 0.7544 0.5054 0.6893 0.069 Uiso 1 1 calc R . .
C48 C 0.6202(7) 0.4699(6) 0.6409(7) 0.058(3) Uani 1 1 d . . .
H48A H 0.6002 0.4065 0.6394 0.070 Uiso 1 1 calc R . .
C49 C 0.5571(7) 0.5042(6) 0.6121(7) 0.058(3) Uani 1 1 d . . .
H49A H 0.4939 0.4635 0.5899 0.069 Uiso 1 1 calc R . .
C50 C 0.5853(6) 0.5978(6) 0.6152(6) 0.050(3) Uani 1 1 d . . .
H50A H 0.5420 0.6206 0.5952 0.060 Uiso 1 1 calc R . .
C51 C 0.7125(5) 0.7924(5) 0.5634(4) 0.0295(17) Uani 1 1 d . . .
C52 C 0.7320(5) 0.8801(6) 0.5493(5) 0.0332(18) Uani 1 1 d . . .
H52A H 0.7461 0.9296 0.5855 0.040 Uiso 1 1 calc R . .
C53 C 0.7305(6) 0.8937(7) 0.4817(5) 0.041(2) Uani 1 1 d . . .
H53A H 0.7429 0.9523 0.4716 0.049 Uiso 1 1 calc R . .
C54 C 0.7107(7) 0.8210(7) 0.4288(5) 0.048(2) Uani 1 1 d . . .
H54A H 0.7103 0.8310 0.3831 0.057 Uiso 1 1 calc R . .
C55 C 0.6922(6) 0.7363(7) 0.4413(5) 0.046(2) Uani 1 1 d . . .
H55A H 0.6787 0.6877 0.4045 0.055 Uiso 1 1 calc R . .
C56 C 0.6930(6) 0.7211(6) 0.5090(5) 0.039(2) Uani 1 1 d . . .
H56A H 0.6802 0.6619 0.5180 0.046 Uiso 1 1 calc R . .
C57 C 0.2816(5) 1.0459(5) 0.7995(4) 0.0272(16) Uani 1 1 d . . .
C58 C 0.2476(5) 1.0203(6) 0.8557(4) 0.0346(19) Uani 1 1 d . . .
C59 C 0.4531(5) 1.1668(7) 0.9001(5) 0.040(2) Uani 1 1 d . . .
C60 C 0.4519(7) 1.2422(8) 0.9389(5) 0.054(3) Uani 1 1 d . . .
H60A H 0.4204 1.2748 0.9167 0.065 Uiso 1 1 calc R . .
C61 C 0.4972(8) 1.2699(10) 1.0107(6) 0.067(3) Uani 1 1 d . . .
H61A H 0.4977 1.3219 1.0369 0.080 Uiso 1 1 calc R . .
C62 C 0.5413(8) 1.2201(10) 1.0431(6) 0.075(4) Uani 1 1 d . . .
H62A H 0.5717 1.2381 1.0917 0.090 Uiso 1 1 calc R . .
C63 C 0.5413(8) 1.1428(10) 1.0041(6) 0.070(4) Uani 1 1 d . . .
H63A H 0.5710 1.1090 1.0267 0.084 Uiso 1 1 calc R . .
C64 C 0.4980(6) 1.1163(7) 0.9330(5) 0.047(2) Uani 1 1 d . . .
H64A H 0.4985 1.0649 0.9067 0.056 Uiso 1 1 calc R . .
C65 C 0.3817(6) 1.2273(6) 0.7806(5) 0.036(2) Uani 1 1 d . . .
C66 C 0.2949(6) 1.2258(6) 0.7533(5) 0.039(2) Uani 1 1 d . . .
H66A H 0.2406 1.1714 0.7470 0.047 Uiso 1 1 calc R . .
C67 C 0.2857(7) 1.3020(7) 0.7348(5) 0.046(2) Uani 1 1 d . . .
H67A H 0.2254 1.3001 0.7178 0.055 Uiso 1 1 calc R . .
C68 C 0.3625(8) 1.3796(8) 0.7409(7) 0.063(3) Uani 1 1 d . . .
H68A H 0.3560 1.4323 0.7291 0.076 Uiso 1 1 calc R . .
C69 C 0.4505(9) 1.3815(8) 0.7645(8) 0.075(4) Uani 1 1 d . . .
H69A H 0.5044 1.4345 0.7665 0.090 Uiso 1 1 calc R . .
C70 C 0.4594(7) 1.3060(7) 0.7849(7) 0.062(3) Uani 1 1 d . . .
H70A H 0.5198 1.3082 0.8021 0.075 Uiso 1 1 calc R . .
C71 C 1.1125(5) 0.9095(5) 0.7689(4) 0.0244(16) Uani 1 1 d . . .
C72 C 1.1602(5) 0.9486(6) 0.8395(5) 0.0356(19) Uani 1 1 d . . .
C73 C 0.9949(5) 0.7547(5) 0.6594(4) 0.0259(16) Uani 1 1 d . . .
C74 C 1.0641(5) 0.7238(6) 0.6614(5) 0.0354(19) Uani 1 1 d . . .
H74A H 1.1101 0.7354 0.7040 0.042 Uiso 1 1 calc R . .
C75 C 1.0654(6) 0.6764(6) 0.6013(5) 0.042(2) Uani 1 1 d . . .
H75A H 1.1131 0.6560 0.6025 0.051 Uiso 1 1 calc R . .
C76 C 0.9988(6) 0.6584(6) 0.5400(5) 0.041(2) Uani 1 1 d . . .
H76A H 1.0003 0.6258 0.4988 0.049 Uiso 1 1 calc R . .
C77 C 0.9287(6) 0.6880(6) 0.5382(5) 0.039(2) Uani 1 1 d . . .
H77A H 0.8816 0.6750 0.4959 0.046 Uiso 1 1 calc R . .
C78 C 0.9283(6) 0.7356(5) 0.5975(4) 0.0283(16) Uani 1 1 d . . .
H78A H 0.8808 0.7562 0.5960 0.034 Uiso 1 1 calc R . .
C79 C 0.9802(6) 0.7513(6) 0.8029(4) 0.0342(19) Uani 1 1 d . . .
C80 C 0.9734(7) 0.6627(7) 0.7902(6) 0.052(3) Uani 1 1 d . . .
H80A H 0.9797 0.6387 0.7476 0.062 Uiso 1 1 calc R . .
C81 C 0.9572(10) 0.6100(9) 0.8400(7) 0.073(4) Uani 1 1 d . . .
H81A H 0.9494 0.5487 0.8312 0.087 Uiso 1 1 calc R . .
C82 C 0.9525(10) 0.6491(9) 0.9042(7) 0.077(4) Uani 1 1 d . . .
H82A H 0.9457 0.6149 0.9398 0.093 Uiso 1 1 calc R . .
C83 C 0.9576(8) 0.7340(8) 0.9160(6) 0.058(3) Uani 1 1 d . . .
H83A H 0.9533 0.7589 0.9591 0.069 Uiso 1 1 calc R . .
C84 C 0.9691(7) 0.7851(7) 0.8641(5) 0.046(2) Uani 1 1 d . . .
H84A H 0.9693 0.8437 0.8711 0.055 Uiso 1 1 calc R . .
C1S C 0.2535(6) 0.5006(6) 0.6256(4) 0.092(5) Uani 1 1 d GU . .
C2S C 0.3232(5) 0.4975(6) 0.5973(5) 0.080(4) Uani 1 1 d G . .
C3S C 0.3237(5) 0.5153(5) 0.5312(6) 0.088(5) Uani 1 1 d GU . .
C4S C 0.2545(6) 0.5363(6) 0.4933(5) 0.092(4) Uani 1 1 d GU . .
C5S C 0.1848(5) 0.5395(6) 0.5217(5) 0.067(3) Uani 1 1 d GU . .
C6S C 0.1843(5) 0.5216(6) 0.5878(5) 0.099(5) Uani 1 1 d GU . .
C7S C 0.6473(8) 0.6288(7) 0.7912(5) 0.199(9) Uani 1 1 d GU . .
C8S C 0.5528(7) 0.6085(6) 0.7699(5) 0.220(10) Uani 1 1 d GU . .
C9S C 0.5194(4) 0.6663(7) 0.7982(5) 0.050(3) Uani 1 1 d GU . .
C10S C 0.5805(6) 0.7444(7) 0.8477(5) 0.162(8) Uani 1 1 d GU . .
C11S C 0.6750(6) 0.7647(6) 0.8690(4) 0.167(8) Uani 1 1 d GU . .
C12S C 0.7083(5) 0.7069(7) 0.8408(4) 0.043(2) Uani 1 1 d GU . .
C13S C 0.5356(19) 1.5068(13) 0.9441(11) 0.055(6) Uani 0.50 1 d P . .
C14S C 0.6041(18) 1.5412(12) 1.0104(10) 0.055(6) Uani 0.50 1 d P . .
C15S C 0.4419(18) 1.4703(12) 0.9340(10) 0.051(5) Uani 0.50 1 d P . .
C16S C 1.059(2) 1.454(2) 0.9111(19) 0.094(10) Uani 0.50 1 d P . .
Cl1S Cl 0.9450(4) 1.4128(4) 0.9253(3) 0.0621(14) Uani 0.50 1 d P A .
Cl2S Cl 1.1005(4) 1.3676(4) 0.9225(3) 0.0571(13) Uani 0.50 1 d P A .
C17S C 1.121(3) 1.428(3) 0.851(2) 0.049(9) Uiso 0.25 1 d P A 2
Cl3S Cl 1.058(2) 1.391(2) 0.9178(15) 0.142(9) Uiso 0.25 1 d P A 2
Cl4S Cl 1.2384(9) 1.4935(9) 0.8803(7) 0.074(3) Uiso 0.25 1 d P A 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'
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'
Cl Cl 0.1484 0.1585 '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
P3 Au1 P1 124.48(7) . . ?
P3 Au1 P5 120.50(7) . . ?
P1 Au1 P5 114.77(7) . . ?
P4 Au2 P2 123.23(7) . . ?
P4 Au2 P6 121.50(7) . . ?
P2 Au2 P6 114.18(7) . . ?
C11 P1 C5 107.8(4) . . ?
C11 P1 C1 102.2(3) . . ?
C5 P1 C1 103.3(3) . . ?
C11 P1 Au1 112.7(3) . . ?
C5 P1 Au1 112.7(3) . . ?
C1 P1 Au1 117.2(2) . . ?
C17 P2 C23 106.0(4) . . ?
C17 P2 C4 104.1(3) . . ?
C23 P2 C4 102.7(4) . . ?
C17 P2 Au2 108.6(3) . . ?
C23 P2 Au2 114.3(3) . . ?
C4 P2 Au2 119.8(3) . . ?
C39 P3 C33 107.8(4) . . ?
C39 P3 C29 104.5(4) . . ?
C33 P3 C29 101.2(3) . . ?
C39 P3 Au1 106.9(3) . . ?
C33 P3 Au1 120.2(3) . . ?
C29 P3 Au1 114.9(2) . . ?
C51 P4 C45 105.1(4) . . ?
C51 P4 C32 103.9(3) . . ?
C45 P4 C32 106.2(4) . . ?
C51 P4 Au2 105.6(3) . . ?
C45 P4 Au2 120.0(3) . . ?
C32 P4 Au2 114.5(3) . . ?
C59 P5 C57 104.9(4) . . ?
C59 P5 C65 104.8(4) . . ?
C57 P5 C65 104.3(4) . . ?
C59 P5 Au1 110.5(3) . . ?
C57 P5 Au1 112.9(3) . . ?
C65 P5 Au1 118.3(3) . . ?
C79 P6 C73 108.5(4) . . ?
C79 P6 C71 105.4(4) . . ?
C73 P6 C71 103.1(4) . . ?
C79 P6 Au2 111.5(3) . . ?
C73 P6 Au2 113.1(3) . . ?
C71 P6 Au2 114.8(2) . . ?
F3 P7 F4 95.8(6) . . ?
F3 P7 F2 175.9(6) . . ?
F4 P7 F2 88.3(6) . . ?
F3 P7 F5 89.7(5) . . ?
F4 P7 F5 90.4(4) . . ?
F2 P7 F5 90.0(5) . . ?
F3 P7 F1 90.4(4) . . ?
F4 P7 F1 89.0(3) . . ?
F2 P7 F1 90.0(4) . . ?
F5 P7 F1 179.3(4) . . ?
F3 P7 F6 89.6(5) . . ?
F4 P7 F6 174.6(6) . . ?
F2 P7 F6 86.3(5) . . ?
F5 P7 F6 89.9(4) . . ?
F1 P7 F6 90.7(4) . . ?
F11 P8 F12 175.0(10) . . ?
F11 P8 F9 94.1(7) . . ?
F12 P8 F9 87.3(9) . . ?
F11 P8 F8 91.1(7) . . ?
F12 P8 F8 93.8(9) . . ?
F9 P8 F8 87.6(5) . . ?
F11 P8 F10 88.5(9) . . ?
F12 P8 F10 86.7(11) . . ?
F9 P8 F10 89.9(6) . . ?
F8 P8 F10 177.5(7) . . ?
F11 P8 F7 90.6(6) . . ?
F12 P8 F7 88.1(8) . . ?
F9 P8 F7 175.2(7) . . ?
F8 P8 F7 91.2(5) . . ?
F10 P8 F7 91.3(6) . . ?
C1 N1 N2 120.1(6) . . ?
N1 N2 C4 118.0(6) . . ?
C29 N3 N4 119.3(6) . . ?
C32 N4 N3 119.4(7) . . ?
N6 N5 C57 120.2(7) 1_455 . ?
N5 N6 C71 119.0(6) 1_655 . ?
N1 C1 C2 123.5(7) . . ?
N1 C1 P1 113.2(5) . . ?
C2 C1 P1 123.3(6) . . ?
C3 C2 C1 117.1(7) . . ?
C2 C3 C4 117.4(7) . . ?
N2 C4 C3 123.8(7) . . ?
N2 C4 P2 112.7(6) . . ?
C3 C4 P2 123.6(6) . . ?
C6 C5 C10 120.0(8) . . ?
C6 C5 P1 119.1(7) . . ?
C10 C5 P1 120.7(7) . . ?
C5 C6 C7 119.7(10) . . ?
C8 C7 C6 120.6(10) . . ?
C9 C8 C7 120.4(10) . . ?
C8 C9 C10 120.6(12) . . ?
C9 C10 C5 118.7(11) . . ?
C12 C11 C16 119.2(8) . . ?
C12 C11 P1 121.2(6) . . ?
C16 C11 P1 119.6(6) . . ?
C11 C12 C13 120.8(8) . . ?
C14 C13 C12 120.1(8) . . ?
C13 C14 C15 120.6(8) . . ?
C14 C15 C16 120.3(8) . . ?
C15 C16 C11 119.0(7) . . ?
C22 C17 C18 118.3(7) . . ?
C22 C17 P2 119.2(6) . . ?
C18 C17 P2 122.5(6) . . ?
C19 C18 C17 120.4(7) . . ?
C20 C19 C18 120.1(8) . . ?
C19 C20 C21 119.9(8) . . ?
C22 C21 C20 120.1(8) . . ?
C21 C22 C17 121.1(8) . . ?
C24 C23 C28 120.3(9) . . ?
C24 C23 P2 121.7(7) . . ?
C28 C23 P2 118.0(7) . . ?
C23 C24 C25 119.5(11) . . ?
C26 C25 C24 120.9(12) . . ?
C25 C26 C27 118.9(11) . . ?
C26 C27 C28 122.3(12) . . ?
C27 C28 C23 118.1(11) . . ?
N3 C29 C30 123.1(7) . . ?
N3 C29 P3 116.9(5) . . ?
C30 C29 P3 120.0(6) . . ?
C29 C30 C31 117.3(8) . . ?
C32 C31 C30 117.0(7) . . ?
N4 C32 C31 123.8(7) . . ?
N4 C32 P4 116.2(6) . . ?
C31 C32 P4 119.8(6) . . ?
C34 C33 C38 119.2(7) . . ?
C34 C33 P3 121.3(6) . . ?
C38 C33 P3 119.4(6) . . ?
C33 C34 C35 119.1(8) . . ?
C36 C35 C34 121.1(9) . . ?
C35 C36 C37 119.7(9) . . ?
C38 C37 C36 119.3(9) . . ?
C37 C38 C33 121.5(8) . . ?
C44 C39 C40 119.4(8) . . ?
C44 C39 P3 119.0(6) . . ?
C40 C39 P3 121.3(7) . . ?
C39 C40 C41 119.1(8) . . ?
C42 C41 C40 120.5(9) . . ?
C41 C42 C43 120.8(9) . . ?
C42 C43 C44 120.1(8) . . ?
C43 C44 C39 120.1(8) . . ?
C46 C45 C50 118.9(8) . . ?
C46 C45 P4 119.2(7) . . ?
C50 C45 P4 121.8(7) . . ?
C47 C46 C45 121.3(9) . . ?
C48 C47 C46 121.0(9) . . ?
C47 C48 C49 118.9(9) . . ?
C48 C49 C50 121.1(9) . . ?
C45 C50 C49 118.7(9) . . ?
C56 C51 C52 119.0(8) . . ?
C56 C51 P4 122.8(7) . . ?
C52 C51 P4 118.1(6) . . ?
C53 C52 C51 119.5(8) . . ?
C52 C53 C54 119.9(9) . . ?
C55 C54 C53 121.6(10) . . ?
C54 C55 C56 119.5(9) . . ?
C51 C56 C55 120.6(8) . . ?
N5 C57 C58 123.3(7) . . ?
N5 C57 P5 112.5(6) . . ?
C58 C57 P5 124.0(6) . . ?
C72 C58 C57 116.1(8) 1_455 . ?
C60 C59 C64 120.3(8) . . ?
C60 C59 P5 122.1(7) . . ?
C64 C59 P5 117.5(7) . . ?
C59 C60 C61 120.4(10) . . ?
C62 C61 C60 119.3(11) . . ?
C61 C62 C63 120.5(10) . . ?
C64 C63 C62 120.3(11) . . ?
C63 C64 C59 119.2(10) . . ?
C70 C65 C66 117.7(9) . . ?
C70 C65 P5 118.6(7) . . ?
C66 C65 P5 123.6(7) . . ?
C67 C66 C65 121.3(9) . . ?
C68 C67 C66 120.3(9) . . ?
C67 C68 C69 119.6(10) . . ?
C70 C69 C68 119.8(11) . . ?
C69 C70 C65 121.1(10) . . ?
N6 C71 C72 123.1(7) . . ?
N6 C71 P6 112.2(5) . . ?
C72 C71 P6 124.5(6) . . ?
C58 C72 C71 118.2(7) 1_655 . ?
C78 C73 C74 118.9(7) . . ?
C78 C73 P6 120.3(6) . . ?
C74 C73 P6 120.8(6) . . ?
C75 C74 C73 119.6(8) . . ?
C76 C75 C74 120.6(8) . . ?
C75 C76 C77 119.8(8) . . ?
C78 C77 C76 119.3(8) . . ?
C77 C78 C73 121.7(7) . . ?
C84 C79 C80 120.0(8) . . ?
C84 C79 P6 118.2(7) . . ?
C80 C79 P6 121.6(7) . . ?
C81 C80 C79 119.7(10) . . ?
C80 C81 C82 118.7(11) . . ?
C83 C82 C81 121.5(11) . . ?
C82 C83 C84 119.4(11) . . ?
C79 C84 C83 120.6(10) . . ?
C2S C1S C6S 120.0 . . ?
C3S C2S C1S 120.0 . . ?
C4S C3S C2S 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C6S C5S C4S 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C8S C7S C12S 120.0 . . ?
C7S C8S C9S 120.0 . . ?
C10S C9S C8S 120.0 . . ?
C9S C10S C11S 120.0 . . ?
C12S C11S C10S 120.0 . . ?
C11S C12S C7S 120.0 . . ?
C15S C13S C14S 125.2(19) . . ?
C13S C14S C15S 110(2) . 2_687 ?
C13S C15S C14S 125(2) . 2_687 ?
Cl3S C16S Cl2S 20.9(19) . . ?
Cl3S C16S Cl1S 87(3) . . ?
Cl2S C16S Cl1S 107.4(16) . . ?
Cl3S C16S C17S 74(3) . . ?
Cl2S C16S C17S 60.2(16) . . ?
Cl1S C16S C17S 141(2) . . ?
C16S Cl1S Cl3S 31.0(10) . . ?
Cl3S Cl2S C16S 25(2) . . ?
Cl3S Cl2S C17S 78(2) . . ?
C16S Cl2S C17S 61.6(17) . . ?
Cl4S C17S Cl2S 102(2) . . ?
Cl4S C17S Cl3S 118(2) . . ?
Cl2S C17S Cl3S 28.0(11) . . ?
Cl4S C17S C16S 112(2) . . ?
Cl2S C17S C16S 58.2(15) . . ?
Cl3S C17S C16S 32.6(13) . . ?
Cl2S Cl3S C16S 134(4) . . ?
Cl2S Cl3S C17S 74(2) . . ?
C16S Cl3S C17S 73(3) . . ?
Cl2S Cl3S Cl1S 162(3) . . ?
C16S Cl3S Cl1S 62(3) . . ?
C17S Cl3S Cl1S 124(2) . . ?
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 P3 2.347(2) . ?
Au1 P1 2.363(2) . ?
Au1 P5 2.380(2) . ?
Au2 P4 2.342(2) . ?
Au2 P2 2.369(2) . ?
Au2 P6 2.3709(19) . ?
P1 C11 1.793(8) . ?
P1 C5 1.815(9) . ?
P1 C1 1.847(7) . ?
P2 C17 1.808(8) . ?
P2 C23 1.818(9) . ?
P2 C4 1.830(7) . ?
P3 C39 1.820(9) . ?
P3 C33 1.829(8) . ?
P3 C29 1.833(7) . ?
P4 C51 1.808(9) . ?
P4 C45 1.824(8) . ?
P4 C32 1.835(7) . ?
P5 C59 1.792(9) . ?
P5 C57 1.821(8) . ?
P5 C65 1.823(9) . ?
P6 C79 1.817(8) . ?
P6 C73 1.821(8) . ?
P6 C71 1.831(7) . ?
P7 F3 1.543(9) . ?
P7 F4 1.571(7) . ?
P7 F2 1.599(10) . ?
P7 F5 1.597(7) . ?
P7 F1 1.601(6) . ?
P7 F6 1.607(8) . ?
P8 F11 1.517(11) . ?
P8 F12 1.544(14) . ?
P8 F9 1.545(9) . ?
P8 F8 1.562(8) . ?
P8 F10 1.567(10) . ?
P8 F7 1.591(9) . ?
N1 C1 1.323(10) . ?
N1 N2 1.343(8) . ?
N2 C4 1.348(9) . ?
N3 C29 1.337(10) . ?
N3 N4 1.347(8) . ?
N4 C32 1.322(10) . ?
N5 N6 1.331(9) 1_455 ?
N5 C57 1.360(10) . ?
N6 N5 1.331(9) 1_655 ?
N6 C71 1.339(9) . ?
C1 C2 1.389(10) . ?
C2 C3 1.370(10) . ?
C3 C4 1.381(11) . ?
C5 C6 1.376(12) . ?
C5 C10 1.413(13) . ?
C6 C7 1.398(13) . ?
C7 C8 1.382(17) . ?
C8 C9 1.357(18) . ?
C9 C10 1.414(14) . ?
C11 C12 1.378(11) . ?
C11 C16 1.409(11) . ?
C12 C13 1.400(12) . ?
C13 C14 1.350(12) . ?
C14 C15 1.386(12) . ?
C15 C16 1.400(12) . ?
C17 C22 1.391(11) . ?
C17 C18 1.400(10) . ?
C18 C19 1.388(12) . ?
C19 C20 1.370(12) . ?
C20 C21 1.392(12) . ?
C21 C22 1.366(11) . ?
C23 C24 1.378(13) . ?
C23 C28 1.402(13) . ?
C24 C25 1.401(14) . ?
C25 C26 1.37(2) . ?
C26 C27 1.37(2) . ?
C27 C28 1.389(15) . ?
C29 C30 1.386(11) . ?
C30 C31 1.388(11) . ?
C31 C32 1.385(12) . ?
C33 C34 1.378(11) . ?
C33 C38 1.387(11) . ?
C34 C35 1.398(12) . ?
C35 C36 1.365(14) . ?
C36 C37 1.389(14) . ?
C37 C38 1.368(12) . ?
C39 C44 1.393(11) . ?
C39 C40 1.390(11) . ?
C40 C41 1.410(13) . ?
C41 C42 1.346(13) . ?
C42 C43 1.382(13) . ?
C43 C44 1.380(12) . ?
C45 C46 1.386(11) . ?
C45 C50 1.393(12) . ?
C46 C47 1.376(12) . ?
C47 C48 1.354(14) . ?
C48 C49 1.395(14) . ?
C49 C50 1.402(13) . ?
C51 C56 1.400(11) . ?
C51 C52 1.412(12) . ?
C52 C53 1.395(12) . ?
C53 C54 1.395(13) . ?
C54 C55 1.354(15) . ?
C55 C56 1.407(14) . ?
C57 C58 1.396(11) . ?
C58 C72 1.385(12) 1_455 ?
C59 C60 1.399(13) . ?
C59 C64 1.417(13) . ?
C60 C61 1.405(14) . ?
C61 C62 1.395(17) . ?
C62 C63 1.417(17) . ?
C63 C64 1.387(14) . ?
C65 C70 1.385(13) . ?
C65 C66 1.385(12) . ?
C66 C67 1.383(13) . ?
C67 C68 1.359(15) . ?
C68 C69 1.390(16) . ?
C69 C70 1.384(15) . ?
C71 C72 1.407(12) . ?
C72 C58 1.385(12) 1_655 ?
C73 C78 1.373(11) . ?
C73 C74 1.392(10) . ?
C74 C75 1.380(12) . ?
C75 C76 1.367(13) . ?
C76 C77 1.393(12) . ?
C77 C78 1.361(12) . ?
C79 C84 1.375(13) . ?
C79 C80 1.398(13) . ?
C80 C81 1.386(14) . ?
C81 C82 1.414(18) . ?
C82 C83 1.348(17) . ?
C83 C84 1.397(14) . ?
C1S C2S 1.3900 . ?
C1S C6S 1.3900 . ?
C2S C3S 1.3900 . ?
C3S C4S 1.3900 . ?
C4S C5S 1.3900 . ?
C5S C6S 1.3900 . ?
C7S C8S 1.3900 . ?
C7S C12S 1.3900 . ?
C8S C9S 1.3900 . ?
C9S C10S 1.3900 . ?
C10S C11S 1.3900 . ?
C11S C12S 1.3900 . ?
C13S C15S 1.36(3) . ?
C13S C14S 1.43(3) . ?
C14S C15S 1.46(3) 2_687 ?
C15S C14S 1.46(3) 2_687 ?
C16S Cl3S 1.05(3) . ?
C16S Cl2S 1.80(3) . ?
C16S Cl1S 1.80(3) . ?
C16S C17S 1.86(5) . ?
Cl1S Cl3S 2.03(3) . ?
Cl2S Cl3S 0.90(3) . ?
Cl2S C17S 1.84(4) . ?
C17S Cl4S 1.70(4) . ?
C17S Cl3S 1.87(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P3 Au1 P1 C11 78.3(3) . . . . ?
P5 Au1 P1 C11 -95.9(3) . . . . ?
P3 Au1 P1 C5 -159.4(3) . . . . ?
P5 Au1 P1 C5 26.3(3) . . . . ?
P3 Au1 P1 C1 -39.8(3) . . . . ?
P5 Au1 P1 C1 145.9(3) . . . . ?
P4 Au2 P2 C17 -91.4(2) . . . . ?
P6 Au2 P2 C17 76.8(2) . . . . ?
P4 Au2 P2 C23 150.4(3) . . . . ?
P6 Au2 P2 C23 -41.3(3) . . . . ?
P4 Au2 P2 C4 27.9(3) . . . . ?
P6 Au2 P2 C4 -163.8(3) . . . . ?
P1 Au1 P3 C39 -85.2(3) . . . . ?
P5 Au1 P3 C39 88.7(3) . . . . ?
P1 Au1 P3 C33 151.6(3) . . . . ?
P5 Au1 P3 C33 -34.5(3) . . . . ?
P1 Au1 P3 C29 30.3(3) . . . . ?
P5 Au1 P3 C29 -155.7(3) . . . . ?
P2 Au2 P4 C51 72.9(3) . . . . ?
P6 Au2 P4 C51 -94.5(3) . . . . ?
P2 Au2 P4 C45 -168.9(4) . . . . ?
P6 Au2 P4 C45 23.7(4) . . . . ?
P2 Au2 P4 C32 -40.8(3) . . . . ?
P6 Au2 P4 C32 151.8(3) . . . . ?
P3 Au1 P5 C59 112.4(4) . . . . ?
P1 Au1 P5 C59 -73.1(4) . . . . ?
P3 Au1 P5 C57 -4.7(3) . . . . ?
P1 Au1 P5 C57 169.8(3) . . . . ?
P3 Au1 P5 C65 -126.9(3) . . . . ?
P1 Au1 P5 C65 47.6(3) . . . . ?
P4 Au2 P6 C79 -73.7(3) . . . . ?
P2 Au2 P6 C79 117.8(3) . . . . ?
P4 Au2 P6 C73 48.8(3) . . . . ?
P2 Au2 P6 C73 -119.7(3) . . . . ?
P4 Au2 P6 C71 166.6(3) . . . . ?
P2 Au2 P6 C71 -1.9(3) . . . . ?
C1 N1 N2 C4 0.0(11) . . . . ?
C29 N3 N4 C32 0.9(11) . . . . ?
N2 N1 C1 C2 2.0(12) . . . . ?
N2 N1 C1 P1 -179.9(6) . . . . ?
C11 P1 C1 N1 -61.1(6) . . . . ?
C5 P1 C1 N1 -173.0(6) . . . . ?
Au1 P1 C1 N1 62.6(6) . . . . ?
C11 P1 C1 C2 117.0(7) . . . . ?
C5 P1 C1 C2 5.1(8) . . . . ?
Au1 P1 C1 C2 -119.3(6) . . . . ?
N1 C1 C2 C3 -2.3(13) . . . . ?
P1 C1 C2 C3 179.8(6) . . . . ?
C1 C2 C3 C4 0.6(12) . . . . ?
N1 N2 C4 C3 -1.7(12) . . . . ?
N1 N2 C4 P2 178.6(5) . . . . ?
C2 C3 C4 N2 1.3(13) . . . . ?
C2 C3 C4 P2 -179.0(7) . . . . ?
C17 P2 C4 N2 77.6(6) . . . . ?
C23 P2 C4 N2 -172.0(6) . . . . ?
Au2 P2 C4 N2 -44.0(7) . . . . ?
C17 P2 C4 C3 -102.1(7) . . . . ?
C23 P2 C4 C3 8.3(8) . . . . ?
Au2 P2 C4 C3 136.3(6) . . . . ?
C11 P1 C5 C6 172.5(6) . . . . ?
C1 P1 C5 C6 -79.8(7) . . . . ?
Au1 P1 C5 C6 47.6(7) . . . . ?
C11 P1 C5 C10 -3.0(8) . . . . ?
C1 P1 C5 C10 104.7(7) . . . . ?
Au1 P1 C5 C10 -127.9(7) . . . . ?
C10 C5 C6 C7 0.5(13) . . . . ?
P1 C5 C6 C7 -175.0(7) . . . . ?
C5 C6 C7 C8 1.5(15) . . . . ?
C6 C7 C8 C9 -2.0(17) . . . . ?
C7 C8 C9 C10 0.3(18) . . . . ?
C8 C9 C10 C5 1.7(16) . . . . ?
C6 C5 C10 C9 -2.1(13) . . . . ?
P1 C5 C10 C9 173.4(7) . . . . ?
C5 P1 C11 C12 -110.9(6) . . . . ?
C1 P1 C11 C12 140.7(6) . . . . ?
Au1 P1 C11 C12 14.0(7) . . . . ?
C5 P1 C11 C16 71.0(7) . . . . ?
C1 P1 C11 C16 -37.5(7) . . . . ?
Au1 P1 C11 C16 -164.1(5) . . . . ?
C16 C11 C12 C13 0.0(11) . . . . ?
P1 C11 C12 C13 -178.2(6) . . . . ?
C11 C12 C13 C14 0.0(13) . . . . ?
C12 C13 C14 C15 1.0(13) . . . . ?
C13 C14 C15 C16 -1.9(13) . . . . ?
C14 C15 C16 C11 1.8(13) . . . . ?
C12 C11 C16 C15 -0.8(11) . . . . ?
P1 C11 C16 C15 177.3(6) . . . . ?
C23 P2 C17 C22 95.1(7) . . . . ?
C4 P2 C17 C22 -156.9(6) . . . . ?
Au2 P2 C17 C22 -28.1(6) . . . . ?
C23 P2 C17 C18 -84.0(7) . . . . ?
C4 P2 C17 C18 24.0(7) . . . . ?
Au2 P2 C17 C18 152.8(6) . . . . ?
C22 C17 C18 C19 0.0(12) . . . . ?
P2 C17 C18 C19 179.2(6) . . . . ?
C17 C18 C19 C20 -1.0(13) . . . . ?
C18 C19 C20 C21 -0.3(13) . . . . ?
C19 C20 C21 C22 2.5(13) . . . . ?
C20 C21 C22 C17 -3.5(13) . . . . ?
C18 C17 C22 C21 2.2(12) . . . . ?
P2 C17 C22 C21 -176.9(6) . . . . ?
C17 P2 C23 C24 12.1(8) . . . . ?
C4 P2 C23 C24 -96.8(8) . . . . ?
Au2 P2 C23 C24 131.8(7) . . . . ?
C17 P2 C23 C28 -166.9(7) . . . . ?
C4 P2 C23 C28 84.2(7) . . . . ?
Au2 P2 C23 C28 -47.3(7) . . . . ?
C28 C23 C24 C25 1.0(14) . . . . ?
P2 C23 C24 C25 -178.0(8) . . . . ?
C23 C24 C25 C26 -1.3(18) . . . . ?
C24 C25 C26 C27 1(2) . . . . ?
C25 C26 C27 C28 -1(2) . . . . ?
C26 C27 C28 C23 0.4(17) . . . . ?
C24 C23 C28 C27 -0.5(14) . . . . ?
P2 C23 C28 C27 178.5(8) . . . . ?
N4 N3 C29 C30 -3.6(12) . . . . ?
N4 N3 C29 P3 174.9(6) . . . . ?
C39 P3 C29 N3 -23.1(7) . . . . ?
C33 P3 C29 N3 88.9(6) . . . . ?
Au1 P3 C29 N3 -140.0(5) . . . . ?
C39 P3 C29 C30 155.5(7) . . . . ?
C33 P3 C29 C30 -92.6(7) . . . . ?
Au1 P3 C29 C30 38.6(7) . . . . ?
N3 C29 C30 C31 3.8(12) . . . . ?
P3 C29 C30 C31 -174.7(6) . . . . ?
C29 C30 C31 C32 -1.4(12) . . . . ?
N3 N4 C32 C31 1.5(12) . . . . ?
N3 N4 C32 P4 -173.4(6) . . . . ?
C30 C31 C32 N4 -1.2(12) . . . . ?
C30 C31 C32 P4 173.5(6) . . . . ?
C51 P4 C32 N4 41.8(7) . . . . ?
C45 P4 C32 N4 -68.7(7) . . . . ?
Au2 P4 C32 N4 156.5(5) . . . . ?
C51 P4 C32 C31 -133.3(7) . . . . ?
C45 P4 C32 C31 116.1(7) . . . . ?
Au2 P4 C32 C31 -18.6(7) . . . . ?
C39 P3 C33 C34 58.4(7) . . . . ?
C29 P3 C33 C34 -51.0(7) . . . . ?
Au1 P3 C33 C34 -178.8(5) . . . . ?
C39 P3 C33 C38 -124.2(6) . . . . ?
C29 P3 C33 C38 126.4(6) . . . . ?
Au1 P3 C33 C38 -1.4(7) . . . . ?
C38 C33 C34 C35 2.7(11) . . . . ?
P3 C33 C34 C35 -179.9(6) . . . . ?
C33 C34 C35 C36 -1.8(13) . . . . ?
C34 C35 C36 C37 0.7(14) . . . . ?
C35 C36 C37 C38 -0.5(13) . . . . ?
C36 C37 C38 C33 1.5(12) . . . . ?
C34 C33 C38 C37 -2.6(11) . . . . ?
P3 C33 C38 C37 179.9(6) . . . . ?
C33 P3 C39 C44 -161.9(6) . . . . ?
C29 P3 C39 C44 -54.8(7) . . . . ?
Au1 P3 C39 C44 67.5(6) . . . . ?
C33 P3 C39 C40 23.5(8) . . . . ?
C29 P3 C39 C40 130.6(7) . . . . ?
Au1 P3 C39 C40 -107.1(7) . . . . ?
C44 C39 C40 C41 3.2(12) . . . . ?
P3 C39 C40 C41 177.7(7) . . . . ?
C39 C40 C41 C42 -2.3(14) . . . . ?
C40 C41 C42 C43 1.0(15) . . . . ?
C41 C42 C43 C44 -0.5(14) . . . . ?
C42 C43 C44 C39 1.4(13) . . . . ?
C40 C39 C44 C43 -2.7(12) . . . . ?
P3 C39 C44 C43 -177.4(6) . . . . ?
C51 P4 C45 C46 111.5(9) . . . . ?
C32 P4 C45 C46 -138.7(8) . . . . ?
Au2 P4 C45 C46 -6.9(10) . . . . ?
C51 P4 C45 C50 -65.8(9) . . . . ?
C32 P4 C45 C50 44.0(10) . . . . ?
Au2 P4 C45 C50 175.8(7) . . . . ?
C50 C45 C46 C47 0.0(16) . . . . ?
P4 C45 C46 C47 -177.4(9) . . . . ?
C45 C46 C47 C48 -1.7(18) . . . . ?
C46 C47 C48 C49 2.3(19) . . . . ?
C47 C48 C49 C50 -1.3(19) . . . . ?
C46 C45 C50 C49 0.9(16) . . . . ?
P4 C45 C50 C49 178.2(9) . . . . ?
C48 C49 C50 C45 -0.3(18) . . . . ?
C45 P4 C51 C56 -11.0(7) . . . . ?
C32 P4 C51 C56 -122.4(6) . . . . ?
Au2 P4 C51 C56 116.7(6) . . . . ?
C45 P4 C51 C52 173.2(6) . . . . ?
C32 P4 C51 C52 61.8(6) . . . . ?
Au2 P4 C51 C52 -59.0(6) . . . . ?
C56 C51 C52 C53 0.6(11) . . . . ?
P4 C51 C52 C53 176.6(6) . . . . ?
C51 C52 C53 C54 -0.7(12) . . . . ?
C52 C53 C54 C55 0.4(14) . . . . ?
C53 C54 C55 C56 -0.2(14) . . . . ?
C52 C51 C56 C55 -0.4(11) . . . . ?
P4 C51 C56 C55 -176.1(6) . . . . ?
C54 C55 C56 C51 0.2(13) . . . . ?
N6 N5 C57 C58 1.5(11) 1_455 . . . ?
N6 N5 C57 P5 176.5(5) 1_455 . . . ?
C59 P5 C57 N5 -174.6(6) . . . . ?
C65 P5 C57 N5 75.5(6) . . . . ?
Au1 P5 C57 N5 -54.1(6) . . . . ?
C59 P5 C57 C58 0.5(8) . . . . ?
C65 P5 C57 C58 -109.5(7) . . . . ?
Au1 P5 C57 C58 120.9(7) . . . . ?
N5 C57 C58 C72 0.9(12) . . . 1_455 ?
P5 C57 C58 C72 -173.6(6) . . . 1_455 ?
C57 P5 C59 C60 -92.5(9) . . . . ?
C65 P5 C59 C60 17.0(9) . . . . ?
Au1 P5 C59 C60 145.5(8) . . . . ?
C57 P5 C59 C64 87.4(7) . . . . ?
C65 P5 C59 C64 -163.0(7) . . . . ?
Au1 P5 C59 C64 -34.5(8) . . . . ?
C64 C59 C60 C61 1.5(16) . . . . ?
P5 C59 C60 C61 -178.5(9) . . . . ?
C59 C60 C61 C62 -1.6(19) . . . . ?
C60 C61 C62 C63 1(2) . . . . ?
C61 C62 C63 C64 1(2) . . . . ?
C62 C63 C64 C59 -0.7(18) . . . . ?
C60 C59 C64 C63 -0.4(15) . . . . ?
P5 C59 C64 C63 179.6(9) . . . . ?
C59 P5 C65 C70 66.5(9) . . . . ?
C57 P5 C65 C70 176.5(8) . . . . ?
Au1 P5 C65 C70 -57.1(9) . . . . ?
C59 P5 C65 C66 -115.8(8) . . . . ?
C57 P5 C65 C66 -5.9(9) . . . . ?
Au1 P5 C65 C66 120.5(7) . . . . ?
C70 C65 C66 C67 -4.0(14) . . . . ?
P5 C65 C66 C67 178.4(8) . . . . ?
C65 C66 C67 C68 2.4(16) . . . . ?
C66 C67 C68 C69 1.3(18) . . . . ?
C67 C68 C69 C70 -3(2) . . . . ?
C68 C69 C70 C65 2(2) . . . . ?
C66 C65 C70 C69 1.9(17) . . . . ?
P5 C65 C70 C69 179.7(10) . . . . ?
N5 N6 C71 C72 2.2(11) 1_655 . . . ?
N5 N6 C71 P6 177.8(5) 1_655 . . . ?
C79 P6 C71 N6 150.6(5) . . . . ?
C73 P6 C71 N6 37.0(6) . . . . ?
Au2 P6 C71 N6 -86.4(5) . . . . ?
C79 P6 C71 C72 -33.9(8) . . . . ?
C73 P6 C71 C72 -147.5(7) . . . . ?
Au2 P6 C71 C72 89.1(7) . . . . ?
N6 C71 C72 C58 0.1(12) . . . 1_655 ?
P6 C71 C72 C58 -174.9(6) . . . 1_655 ?
C79 P6 C73 C78 119.6(7) . . . . ?
C71 P6 C73 C78 -129.0(7) . . . . ?
Au2 P6 C73 C78 -4.5(7) . . . . ?
C79 P6 C73 C74 -61.2(8) . . . . ?
C71 P6 C73 C74 50.2(7) . . . . ?
Au2 P6 C73 C74 174.7(6) . . . . ?
C78 C73 C74 C75 1.2(13) . . . . ?
P6 C73 C74 C75 -178.0(7) . . . . ?
C73 C74 C75 C76 -0.9(14) . . . . ?
C74 C75 C76 C77 -0.2(15) . . . . ?
C75 C76 C77 C78 0.9(14) . . . . ?
C76 C77 C78 C73 -0.6(13) . . . . ?
C74 C73 C78 C77 -0.5(12) . . . . ?
P6 C73 C78 C77 178.8(7) . . . . ?
C73 P6 C79 C84 -174.5(7) . . . . ?
C71 P6 C79 C84 75.7(8) . . . . ?
Au2 P6 C79 C84 -49.4(8) . . . . ?
C73 P6 C79 C80 0.0(9) . . . . ?
C71 P6 C79 C80 -109.8(8) . . . . ?
Au2 P6 C79 C80 125.1(7) . . . . ?
C84 C79 C80 C81 -1.3(15) . . . . ?
P6 C79 C80 C81 -175.6(9) . . . . ?
C79 C80 C81 C82 -3.0(19) . . . . ?
C80 C81 C82 C83 4(2) . . . . ?
C81 C82 C83 C84 -1(2) . . . . ?
C80 C79 C84 C83 4.5(14) . . . . ?
P6 C79 C84 C83 179.1(8) . . . . ?
C82 C83 C84 C79 -3.4(17) . . . . ?
C6S C1S C2S C3S 0.0 . . . . ?
C1S C2S C3S C4S 0.0 . . . . ?
C2S C3S C4S C5S 0.0 . . . . ?
C3S C4S C5S C6S 0.0 . . . . ?
C4S C5S C6S C1S 0.0 . . . . ?
C2S C1S C6S C5S 0.0 . . . . ?
C12S C7S C8S C9S 0.0 . . . . ?
C7S C8S C9S C10S 0.0 . . . . ?
C8S C9S C10S C11S 0.0 . . . . ?
C9S C10S C11S C12S 0.0 . . . . ?
C10S C11S C12S C7S 0.0 . . . . ?
C8S C7S C12S C11S 0.0 . . . . ?
C15S C13S C14S C15S 1(3) . . . 2_687 ?
C14S C13S C15S C14S -1(3) . . . 2_687 ?
Cl2S C16S Cl1S Cl3S -3.6(17) . . . . ?
C17S C16S Cl1S Cl3S 60(3) . . . . ?
Cl1S C16S Cl2S Cl3S 10(5) . . . . ?
C17S C16S Cl2S Cl3S -129(6) . . . . ?
Cl3S C16S Cl2S C17S 129(6) . . . . ?
Cl1S C16S Cl2S C17S 139(3) . . . . ?
Cl3S Cl2S C17S Cl4S 128(3) . . . . ?
C16S Cl2S C17S Cl4S 108(2) . . . . ?
C16S Cl2S C17S Cl3S -19(2) . . . . ?
Cl3S Cl2S C17S C16S 19(2) . . . . ?
Cl3S C16S C17S Cl4S -107(3) . . . . ?
Cl2S C16S C17S Cl4S -91(2) . . . . ?
Cl1S C16S C17S Cl4S -172(2) . . . . ?
Cl3S C16S C17S Cl2S -17(2) . . . . ?
Cl1S C16S C17S Cl2S -81(3) . . . . ?
Cl2S C16S C17S Cl3S 17(2) . . . . ?
Cl1S C16S C17S Cl3S -64(3) . . . . ?
C17S Cl2S Cl3S C16S -44(5) . . . . ?
C16S Cl2S Cl3S C17S 44(5) . . . . ?
C16S Cl2S Cl3S Cl1S -152(13) . . . . ?
C17S Cl2S Cl3S Cl1S 164(9) . . . . ?
Cl1S C16S Cl3S Cl2S -170(4) . . . . ?
C17S C16S Cl3S Cl2S 44(5) . . . . ?
Cl2S C16S Cl3S C17S -44(5) . . . . ?
Cl1S C16S Cl3S C17S 145(2) . . . . ?
Cl2S C16S Cl3S Cl1S 170(4) . . . . ?
C17S C16S Cl3S Cl1S -145(2) . . . . ?
Cl4S C17S Cl3S Cl2S -61(3) . . . . ?
C16S C17S Cl3S Cl2S -149(4) . . . . ?
Cl4S C17S Cl3S C16S 88(3) . . . . ?
Cl2S C17S Cl3S C16S 149(4) . . . . ?
Cl4S C17S Cl3S Cl1S 125(2) . . . . ?
Cl2S C17S Cl3S Cl1S -174(3) . . . . ?
C16S C17S Cl3S Cl1S 37(3) . . . . ?
C16S Cl1S Cl3S Cl2S 158(10) . . . . ?
C16S Cl1S Cl3S C17S -41(3) . . . . ?
