#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/49/7104976.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_7104976
loop_
_publ_author_name
'Horvath, Ulrike E I'
'McKenzie, Jean M'
'Cronje, Stephanie'
'Raubenheimer, Helgard G'
'Barbour, Leonard J'
_publ_section_title
;
 Intermolecular aurophilic interactions facilitate assembly of a
 complex rotaxane in solution.
;
_journal_issue                   43
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6598
_journal_page_last               6600
_journal_paper_doi               10.1039/b914073e
_journal_year                    2009
_chemical_formula_sum            'C32.5 H44 Au4 Cl5.5 F3 N6 P2.5'
_chemical_formula_weight         1636.00
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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                119.874(9)
_cell_angle_beta                 108.507(12)
_cell_angle_gamma                93.365(12)
_cell_formula_units_Z            2
_cell_length_a                   13.232(9)
_cell_length_b                   14.873(10)
_cell_length_c                   14.917(10)
_cell_measurement_temperature    100(2)
_cell_volume                     2329(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.863
_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  0.1844
_diffrn_reflns_av_sigmaI/netI    0.5383
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            13306
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.24
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    13.006
_exptl_absorpt_correction_T_max  0.5624
_exptl_absorpt_correction_T_min  0.3562
_exptl_crystal_density_diffrn    2.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1510
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.133
_refine_diff_density_min         -2.884
_refine_diff_density_rms         0.535
_refine_ls_extinction_coef       0.0092(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     126
_refine_ls_number_reflns         9938
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.3277
_refine_ls_R_factor_gt           0.1246
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1226P)²+47.3217P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2550
_refine_ls_wR_factor_ref         0.3545
_reflns_number_gt                3074
_reflns_number_total             9938
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b914073e.txt
_cod_data_source_block
c:\docume~1\ljb\mydocu~1\!paper~1\inprep~1\uli-na~1\struct~1\uh531am
_cod_original_formula_sum        'C32.50 H44 Au4 Cl5.50 F3 N6 P2.50'
_cod_database_code               7104976
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
Cl2F Cl 0.058(4) -0.312(4) -0.007(4) 0.29(3) Uiso 1 1 d D . .
Au1A Au 0.39716(18) 0.39120(14) 0.42498(16) 0.0338(6) Uani 1 1 d . . .
C1A C 0.429(5) 0.346(4) 0.527(5) 0.050(15) Uiso 1 1 d . . .
C2A C 0.459(4) 0.315(3) 0.594(4) 0.027(10) Uiso 1 1 d . . .
C3A C 0.479(5) 0.261(4) 0.656(5) 0.048(14) Uiso 1 1 d . . .
H3A1 H 0.5377 0.2246 0.6435 0.057 Uiso 1 1 calc R . .
H3A2 H 0.5052 0.3160 0.7379 0.057 Uiso 1 1 calc R . .
N4A N 0.3849(13) 0.1869(8) 0.6225(9) 0.033(10) Uiso 1 1 d G . .
C5A C 0.3254(17) 0.2115(13) 0.6925(11) 0.042(13) Uiso 1 1 d G . .
H5A H 0.3424 0.2774 0.7622 0.051 Uiso 1 1 calc R . .
C6A C 0.2360(15) 0.1203(15) 0.6399(13) 0.07(2) Uiso 1 1 d G . .
H6A H 0.1827 0.1145 0.6683 0.090 Uiso 1 1 calc R . .
N7A N 0.2402(11) 0.0394(12) 0.5375(11) 0.048(12) Uiso 1 1 d G . .
C8A C 0.3322(7) 0.0805(7) 0.5267(6) 0.034(12) Uiso 1 1 d G . .
C9A C 0.1678(12) -0.0536(15) 0.4524(16) 0.052(15) Uiso 1 1 d G . .
H9A H 0.1768 -0.0895 0.3832 0.062 Uiso 1 1 calc R . .
C10A C 0.0815(19) -0.100(2) 0.459(2) 0.067(19) Uiso 1 1 d G . .
H10A H 0.0705 -0.0658 0.5274 0.080 Uiso 1 1 calc R . .
H10B H 0.0321 -0.1666 0.3958 0.080 Uiso 1 1 calc R . .
Au1B Au 0.39600(19) 0.00778(14) 0.41058(15) 0.0357(6) Uani 1 1 d G . .
C1B C 0.4276(8) -0.0766(7) 0.2747(5) 0.042(13) Uiso 1 1 d G . .
C2B C 0.4678(12) -0.1135(11) 0.2041(8) 0.023(10) Uiso 1 1 d G . .
C3B C 0.4759(17) -0.1661(16) 0.1045(10) 0.035(12) Uiso 1 1 d G . .
H3B1 H 0.4984 -0.2312 0.0964 0.042 Uiso 1 1 calc R . .
H3B2 H 0.5390 -0.1203 0.1115 0.042 Uiso 1 1 calc R . .
N4B N 0.3939(15) -0.1988(6) 0.0057(14) 0.035(10) Uiso 1 1 d G . .
C5B C 0.3271(19) -0.3063(5) -0.0624(18) 0.066(18) Uiso 1 1 d G . .
H5B H 0.3445 -0.3640 -0.0551 0.079 Uiso 1 1 calc R . .
C6B C 0.2298(16) -0.3123(5) -0.1434(16) 0.08(2) Uiso 1 1 d G . .
H6B H 0.1706 -0.3748 -0.1997 0.098 Uiso 1 1 calc R . .
N7B N 0.2364(10) -0.2086(5) -0.1253(12) 0.040(11) Uiso 1 1 d G . .
C8B C 0.3379(8) -0.1384(2) -0.0331(8) 0.024(10) Uiso 1 1 d G . .
C9B C 0.1634(12) -0.1778(10) -0.1932(15) 0.063(18) Uiso 1 1 d G . .
H9B H 0.1769 -0.1026 -0.1611 0.076 Uiso 1 1 calc R . .
C10B C 0.0824(19) -0.2360(14) -0.2905(19) 0.066(18) Uiso 1 1 d G . .
H10C H 0.0635 -0.3120 -0.3282 0.080 Uiso 1 1 calc R . .
H10D H 0.0415 -0.2028 -0.3247 0.080 Uiso 1 1 calc R . .
Au1C Au 0.39597(19) 0.02003(14) 0.03687(16) 0.0359(6) Uani 1 1 d G . .
C1C C 0.4323(8) 0.16852(18) 0.1026(8) 0.041(13) Uiso 1 1 d G . .
C2C C 0.4541(13) 0.26680(18) 0.1584(12) 0.037(12) Uiso 1 1 d G . .
C3C C 0.4953(19) 0.38998(17) 0.2345(18) 0.054(16) Uiso 1 1 d G . .
H3C1 H 0.5314 0.4199 0.2027 0.065 Uiso 1 1 calc R . .
H3C2 H 0.5468 0.4147 0.3119 0.065 Uiso 1 1 calc R . .
N4C N 0.3830(7) 0.4194(4) 0.2318(6) 0.055(13) Uiso 1 1 d G . .
C5C C 0.3166(8) 0.4520(6) 0.1637(7) 0.054(16) Uiso 1 1 d G . .
H5C H 0.3292 0.4548 0.1057 0.064 Uiso 1 1 calc R . .
C6C C 0.2281(8) 0.4797(6) 0.1972(7) 0.058(17) Uiso 1 1 d G . .
H6C H 0.1710 0.5043 0.1657 0.070 Uiso 1 1 calc R . .
N7C N 0.2398(6) 0.4641(5) 0.2862(7) 0.042(11) Uiso 1 1 d G . .
C8C C 0.3355(6) 0.4269(3) 0.3076(5) 0.046(14) Uiso 1 1 d G . .
C9C C 0.1656(6) 0.4735(5) 0.3430(7) 0.08(2) Uiso 1 1 d G . .
H9C H 0.1828 0.4575 0.3996 0.101 Uiso 1 1 calc R . .
C10C C 0.0799(7) 0.5022(6) 0.3181(8) 0.049(15) Uiso 1 1 d G . .
H10E H 0.0625 0.5182 0.2616 0.059 Uiso 1 1 calc R . .
H10F H 0.0321 0.5081 0.3555 0.059 Uiso 1 1 calc R . .
Au1D Au 0.42025(18) 0.14649(15) 0.29841(16) 0.0373(6) Uani 1 1 d G . .
C1D C 0.6616(3) 0.2302(4) 0.5190(3) 0.042(13) Uiso 1 1 d G . .
H1D1 H 0.6321 0.2884 0.5622 0.064 Uiso 1 1 calc R . .
H1D2 H 0.7425 0.2540 0.5527 0.064 Uiso 1 1 calc R . .
H1D3 H 0.6377 0.1674 0.5203 0.064 Uiso 1 1 calc R . .
C2D C 0.6693(3) 0.0919(4) 0.3096(5) 0.041(13) Uiso 1 1 d G . .
H2D1 H 0.6449 0.0686 0.2303 0.062 Uiso 1 1 calc R . .
H2D2 H 0.6453 0.0312 0.3141 0.062 Uiso 1 1 calc R . .
H2D3 H 0.7501 0.1178 0.3465 0.062 Uiso 1 1 calc R . .
C3D C 0.6828(3) 0.3108(4) 0.3863(6) 0.048(14) Uiso 1 1 d G . .
H3D1 H 0.6545 0.3727 0.4237 0.072 Uiso 1 1 calc R . .
H3D2 H 0.6698 0.2930 0.3101 0.072 Uiso 1 1 calc R . .
H3D3 H 0.7623 0.3286 0.4298 0.072 Uiso 1 1 calc R . .
P4D P 0.61164(18) 0.1953(3) 0.3773(4) 0.034(3) Uani 1 1 d G . .
P5D P 0.23375(18) 0.0983(3) 0.2233(3) 0.042(4) Uani 1 1 d G . .
C6D C 0.1666(2) -0.0370(3) 0.1446(5) 0.047(14) Uiso 1 1 d G . .
H6D1 H 0.1928 -0.0761 0.0846 0.071 Uiso 1 1 calc R . .
H6D2 H 0.0868 -0.0467 0.1110 0.071 Uiso 1 1 calc R . .
H6D3 H 0.1822 -0.0646 0.1936 0.071 Uiso 1 1 calc R . .
C7D C 0.1599(3) 0.1321(4) 0.1276(4) 0.049(15) Uiso 1 1 d G . .
H7D1 H 0.1898 0.1121 0.0699 0.073 Uiso 1 1 calc R . .
H7D2 H 0.1672 0.2096 0.1685 0.073 Uiso 1 1 calc R . .
H7D3 H 0.0817 0.0932 0.0913 0.073 Uiso 1 1 calc R . .
C8D C 0.1698(3) 0.1389(4) 0.3154(5) 0.08(2) Uiso 1 1 d G . .
H8D1 H 0.1978 0.2169 0.3695 0.115 Uiso 1 1 calc R . .
H8D2 H 0.1853 0.1026 0.3560 0.115 Uiso 1 1 calc R . .
H8D3 H 0.0899 0.1205 0.2734 0.115 Uiso 1 1 calc R . .
P1E P 0.4991(10) -0.5003(4) -0.0001(10) 0.041(6) Uani 1 2 d SG . .
F1E F 0.4222(9) -0.4298(3) 0.0549(9) 0.041(7) Uiso 1 1 d G . .
F2E F 0.5685(9) -0.3956(5) 0.0198(8) 0.054(8) Uiso 1 1 d G . .
F3E F 0.4236(10) -0.5297(3) -0.1208(9) 0.044(7) Uiso 1 1 d G . .
Cl1H Cl 0.1568(7) 0.4567(6) 0.5649(7) 0.027(5) Uiso 0.50 1 d PGD A 1
Cl2H Cl 0.1481(10) 0.3907(9) 0.7125(9) 0.088(12) Uiso 0.50 1 d PGD A 1
Cl1F Cl 0.1489(8) -0.2979(5) 0.1918(10) 0.215(17) Uiso 1 1 d GD . .
Cl1G Cl 0.1237(9) 0.0669(8) -0.1885(4) 0.152(11) Uiso 1 1 d GD . .
Cl2G Cl 0.1565(11) 0.2731(9) -0.1400(7) 0.210(16) Uiso 1 1 d GD . .
C1G C 0.1956(8) 0.1958(7) -0.0706(5) 0.14(4) Uiso 1 1 d GD . .
H1G1 H 0.2762 0.2043 -0.0405 0.171 Uiso 1 1 calc R . .
H1G2 H 0.1687 0.2159 -0.0100 0.171 Uiso 1 1 calc R . .
C1H C 0.1995(8) 0.3773(7) 0.6202(7) 0.022(19) Uiso 0.50 1 d PGD A 1
H1H1 H 0.1756 0.3008 0.5573 0.027 Uiso 0.50 1 calc PR A 1
H1H2 H 0.2812 0.3983 0.6572 0.027 Uiso 0.50 1 calc PR A 1
Cl2I Cl 0.0855(8) 0.2726(8) 0.5531(9) 0.135(19) Uiso 0.50 1 d PG B 2
C1F C 0.1397(7) -0.3715(3) 0.0530(9) 0.39(14) Uiso 1 1 d GD . .
H1F1 H 0.2135 -0.3638 0.0506 0.467 Uiso 1 1 calc R . .
H1F2 H 0.1037 -0.4487 0.0145 0.467 Uiso 1 1 calc R . .
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
C1A Au1A C8C 169.9(18) . . ?
C1A Au1A Au1D 70.5(16) . . ?
C8C Au1A Au1D 108.22(16) . . ?
C1A Au1A Au1A 98.6(17) . 2_666 ?
C8C Au1A Au1A 90.2(2) . 2_666 ?
Au1D Au1A Au1A 125.12(12) . 2_666 ?
C2A C1A Au1A 175(5) . . ?
C1A C2A C3A 170(5) . . ?
N4A C3A C2A 112(4) . . ?
C3A N4A C5A 120(2) . . ?
C3A N4A C8A 132(2) . . ?
C5A N4A C8A 108.0 . . ?
N4A C5A C6A 108.0 . . ?
C5A C6A N7A 108.0 . . ?
C9A N7A C8A 120.5 . . ?
C9A N7A C6A 130.7 . . ?
C8A N7A C6A 108.0 . . ?
N7A C8A N4A 108.0 . . ?
N7A C8A Au1B 130.2 . . ?
N4A C8A Au1B 121.6 . . ?
N7A C9A C10A 123.4 . . ?
C1B Au1B C8A 168.6 . . ?
C1B Au1B Au1B 98.0(6) . 2_656 ?
C8A Au1B Au1B 91.5(5) . 2_656 ?
C1B Au1B Au1D 68.7(3) . . ?
C8A Au1B Au1D 110.8(3) . . ?
Au1B Au1B Au1D 124.5(6) 2_656 . ?
C2B C1B Au1B 166.8 . . ?
C1B C2B C3B 160.8 . . ?
C2B C3B N4B 124.4(11) . . ?
C3B N4B C5B 119.0(11) . . ?
C3B N4B C8B 130.3(10) . . ?
C5B N4B C8B 108.0 . . ?
C6B C5B N4B 108.0 . . ?
C5B C6B N7B 108.0 . . ?
C8B N7B C6B 108.0 . . ?
C8B N7B C9B 123.4 . . ?
C6B N7B C9B 128.2 . . ?
N7B C8B N4B 108.0 . . ?
N7B C8B Au1C 127.9 . . ?
N4B C8B Au1C 124.1 . . ?
C10B C9B N7B 130.3 . . ?
C1C Au1C C8B 172.7 . . ?
C1C Au1C Au1C 95.6(6) . 2_655 ?
C8B Au1C Au1C 91.4(6) . 2_655 ?
C1C Au1C Au1D 69.6(3) . . ?
C8B Au1C Au1D 107.8(3) . . ?
Au1C Au1C Au1D 123.8(6) 2_655 . ?
C2C C1C Au1C 170.9 . . ?
C1C C2C C3C 173.4 . . ?
C2C C3C N4C 100.1(5) . . ?
C5C N4C C8C 108.0 . . ?
C5C N4C C3C 127.8(9) . . ?
C8C N4C C3C 124.0(9) . . ?
N4C C5C C6C 108.0 . . ?
N7C C6C C5C 108.0 . . ?
C8C N7C C6C 108.0 . . ?
C8C N7C C9C 122.8 . . ?
C6C N7C C9C 129.0 . . ?
N7C C8C N4C 108.0 . . ?
N7C C8C Au1A 127.15(14) . . ?
N4C C8C Au1A 124.85(15) . . ?
C10C C9C N7C 120.5 . . ?
P5D Au1D P4D 179.2 . . ?
P5D Au1D Au1A 85.16(10) . . ?
P4D Au1D Au1A 95.00(10) . . ?
P5D Au1D Au1C 85.22(12) . . ?
P4D Au1D Au1C 95.36(12) . . ?
Au1A Au1D Au1C 120.70(8) . . ?
P5D Au1D Au1B 84.40(12) . . ?
P4D Au1D Au1B 94.84(12) . . ?
Au1A Au1D Au1B 117.59(9) . . ?
Au1C Au1D Au1B 119.39(8) . . ?
C2D P4D C1D 105.2 . . ?
C2D P4D C3D 104.8 . . ?
C1D P4D C3D 104.3 . . ?
C2D P4D Au1D 113.6 . . ?
C1D P4D Au1D 110.1 . . ?
C3D P4D Au1D 117.8 . . ?
C8D P5D C6D 96.6 . . ?
C8D P5D C7D 102.2 . . ?
C6D P5D C7D 98.6 . . ?
C8D P5D Au1D 117.2 . . ?
C6D P5D Au1D 118.2 . . ?
C7D P5D Au1D 119.8 . . ?
F3E P1E F3E 179.2(10) . 2_645 ?
F3E P1E F2E 88.6 . . ?
F3E P1E F2E 90.8(7) 2_645 . ?
F3E P1E F1E 88.3(10) . 2_645 ?
F3E P1E F1E 91.2(10) 2_645 2_645 ?
F2E P1E F1E 90.4(9) . 2_645 ?
F3E P1E F2E 91.6(10) . 2_645 ?
F3E P1E F2E 89.0(12) 2_645 2_645 ?
F2E P1E F2E 179.4(7) . 2_645 ?
F1E P1E F2E 89.1(2) 2_645 2_645 ?
F3E P1E F1E 92.0 . . ?
F3E P1E F1E 88.5(6) 2_645 . ?
F2E P1E F1E 89.0 . . ?
F1E P1E F1E 179.4(9) 2_645 . ?
F2E P1E F1E 91.5(8) 2_645 . ?
Cl1G C1G Cl2G 98.1 . . ?
Cl2H C1H Cl1H 112.5 . . ?
Cl2F C1F Cl1F 102.0(19) . . ?
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
Cl2F C1F 1.752(10) . ?
Au1A C1A 1.89(6) . ?
Au1A C8C 2.021(5) . ?
Au1A Au1D 3.249(3) . ?
Au1A Au1A 3.282(4) 2_666 ?
C1A C2A 1.27(7) . ?
C2A C3A 1.47(7) . ?
C3A N4A 1.38(6) . ?
N4A C5A 1.4200 . ?
N4A C8A 1.4200 . ?
C5A C6A 1.4200 . ?
C6A N7A 1.4200 . ?
N7A C9A 1.3290 . ?
N7A C8A 1.4200 . ?
C8A Au1B 2.0131 . ?
C9A C10A 1.3559 . ?
Au1B C1B 1.9803 . ?
Au1B Au1B 3.282(5) 2_656 ?
Au1B Au1D 3.296(3) . ?
C1B C2B 1.2285 . ?
C2B C3B 1.3358 . ?
C3B N4B 1.34(2) . ?
N4B C5B 1.4200 . ?
N4B C8B 1.4200 . ?
C5B C6B 1.4200 . ?
C6B N7B 1.4200 . ?
N7B C8B 1.4200 . ?
N7B C9B 1.4354 . ?
C8B Au1C 2.0145 . ?
C9B C10B 1.2875 . ?
Au1C C1C 1.8681 . ?
Au1C Au1C 3.257(5) 2_655 ?
Au1C Au1D 3.269(4) . ?
C1C C2C 1.2242 . ?
C2C C3C 1.5364 . ?
C3C N4C 1.57(2) . ?
N4C C5C 1.4200 . ?
N4C C8C 1.4200 . ?
C5C C6C 1.4200 . ?
C6C N7C 1.4200 . ?
N7C C8C 1.4200 . ?
N7C C9C 1.4591 . ?
C9C C10C 1.2465 . ?
Au1D P5D 2.2574 . ?
Au1D P4D 2.3165 . ?
C1D P4D 1.7767 . ?
C2D P4D 1.7461 . ?
C3D P4D 1.8318 . ?
P5D C8D 1.7148 . ?
P5D C6D 1.7288 . ?
P5D C7D 1.7701 . ?
P1E F3E 1.5660 . ?
P1E F3E 1.57(2) 2_645 ?
P1E F2E 1.5979 . ?
P1E F1E 1.629(16) 2_645 ?
P1E F2E 1.582(19) 2_645 ?
P1E F1E 1.6150 . ?
Cl1H C1H 1.7736 . ?
Cl2H C1H 1.6544 . ?
Cl1F C1F 1.7516 . ?
Cl1G C1G 1.7426 . ?
Cl2G C1G 1.8917 . ?
