  
data_cd212254 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C36 H22 Au F6 I N2' 
_chemical_formula_weight          920.42 
  
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' 
 'I'  'I'  -0.4742   1.8119 
 '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' 
  
_symmetry_cell_setting            Orthorhombic 
_symmetry_space_group_name_H-M    P2(1)2(1)2(1) 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, -y, z+1/2' 
 '-x, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z' 
  
_cell_length_a                    7.6103(5) 
_cell_length_b                    12.6408(8) 
_cell_length_c                    34.029(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      3273.6(4) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     4877 
_cell_measurement_theta_min       4.788 
_cell_measurement_theta_max       43.243 
  
_exptl_crystal_description        prismatic 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.265 
_exptl_crystal_size_mid           0.211 
_exptl_crystal_size_min           0.147 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.868 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1752 
_exptl_absorpt_coefficient_mu     5.499 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.54129 
_exptl_absorpt_correction_T_max   1.00000 
_exptl_absorpt_process_details    sadabs 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'CCD area detector' 
_diffrn_measurement_method        'phi and omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             19888 
_diffrn_reflns_av_R_equivalents   0.0369 
_diffrn_reflns_av_sigmaI/netI     0.0587 
_diffrn_reflns_limit_h_min        -8 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -15 
_diffrn_reflns_limit_k_max        10 
_diffrn_reflns_limit_l_min        -41 
_diffrn_reflns_limit_l_max        40 
_diffrn_reflns_theta_min          1.72 
_diffrn_reflns_theta_max          25.99 
_reflns_number_total              6425 
_reflns_number_gt                 5331 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Bruker SMART' 
_computing_cell_refinement        'Bruker SMART' 
_computing_data_reduction         'Bruker SHELXTL' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0306P)²+7.8028P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00014(5) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.033(11) 
_chemical_absolute_configuration  ad 
_refine_ls_number_reflns          6425 
_refine_ls_number_parameters      453 
_refine_ls_number_restraints      108 
_refine_ls_R_factor_all           0.0604 
_refine_ls_R_factor_gt            0.0482 
_refine_ls_wR_factor_ref          0.1131 
_refine_ls_wR_factor_gt           0.1072 
_refine_ls_goodness_of_fit_ref    1.041 
_refine_ls_restrained_S_all       1.051 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
  
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 -0.00677(5) 0.35581(3) 0.162415(10) 0.06749(14) Uani 1 1 d . . . 
I1 I -0.08834(11) 0.16243(7) 0.16873(3) 0.0991(3) Uani 1 1 d . . . 
N1 N 0.0880(10) 0.5666(6) 0.1258(2) 0.0546(17) Uani 1 1 d . . . 
N2 N 0.0433(11) 0.5809(8) 0.1874(2) 0.079(3) Uani 1 1 d . . . 
F2 F 0.5642(11) 0.1459(8) 0.0977(2) 0.123(3) Uani 1 1 d . A . 
F3 F 0.3919(15) 0.0792(6) 0.1372(2) 0.138(3) Uani 1 1 d . A . 
F1 F 0.2735(19) 0.1694(13) 0.0962(4) 0.095(4) Uani 0.60 1 d PU A 1 
F4 F 0.546(2) 0.4080(13) 0.2665(3) 0.106(4) Uani 0.60 1 d PU B 1 
F5 F 0.463(2) 0.2416(11) 0.2617(3) 0.109(4) Uani 0.60 1 d PU B 1 
F6 F 0.280(2) 0.3628(16) 0.2615(3) 0.112(4) Uani 0.60 1 d PU B 1 
F1' F 0.341(3) 0.179(2) 0.0823(7) 0.107(8) Uani 0.40 1 d PU A 2 
F4' F 0.365(4) 0.434(2) 0.2651(7) 0.124(8) Uani 0.40 1 d PU B 2 
F5' F 0.578(3) 0.311(2) 0.2632(6) 0.107(6) Uani 0.40 1 d PU B 2 
F6' F 0.307(3) 0.273(2) 0.2604(6) 0.110(6) Uani 0.40 1 d PU B 2 
C1 C 0.0553(10) 0.5101(7) 0.1579(2) 0.054(2) Uani 1 1 d U . . 
C2 C 0.0714(14) 0.6810(10) 0.1744(3) 0.077(3) Uani 1 1 d U . . 
C3 C 0.0992(12) 0.6726(8) 0.1342(3) 0.062(2) Uani 1 1 d U . . 
C4 C 0.1203(14) 0.7614(9) 0.1111(4) 0.079(3) Uani 1 1 d U . . 
H4 H 0.1336 0.7571 0.0840 0.095 Uiso 1 1 calc R . . 
C5 C 0.1206(15) 0.8588(10) 0.1310(4) 0.093(3) Uani 1 1 d U . . 
H5 H 0.1373 0.9211 0.1170 0.112 Uiso 1 1 calc R . . 
C6 C 0.0966(18) 0.8628(12) 0.1708(5) 0.106(4) Uani 1 1 d U . . 
H6 H 0.0964 0.9291 0.1827 0.127 Uiso 1 1 calc R . . 
C7 C 0.0732(18) 0.7771(13) 0.1943(4) 0.106(5) Uani 1 1 d . . . 
H7 H 0.0595 0.7822 0.2214 0.127 Uiso 1 1 calc R . . 
C8 C -0.004(2) 0.5504(13) 0.2287(3) 0.124(5) Uani 1 1 d . . . 
H8A H -0.0921 0.5979 0.2385 0.185 Uiso 1 1 calc R . . 
H8B H 0.0986 0.5544 0.2450 0.185 Uiso 1 1 calc R . . 
H8C H -0.0489 0.4794 0.2289 0.185 Uiso 1 1 calc R . . 
C9 C 0.1297(12) 0.5153(7) 0.0885(2) 0.050(2) Uani 1 1 d . . . 
C10 C -0.0071(16) 0.4583(7) 0.0705(2) 0.065(2) Uani 1 1 d . . . 
H10 H -0.1190 0.4579 0.0815 0.078 Uiso 1 1 calc R . . 
C11 C 0.0261(17) 0.4042(7) 0.0372(3) 0.076(3) Uani 1 1 d . . . 
H11 H -0.0631 0.3654 0.0253 0.092 Uiso 1 1 calc R . . 
C12 C 0.1962(17) 0.4062(7) 0.0201(3) 0.067(3) Uani 1 1 d . . . 
C13 C 0.226(2) 0.3516(9) -0.0158(3) 0.097(4) Uani 1 1 d . . . 
H13 H 0.1367 0.3124 -0.0274 0.116 Uiso 1 1 calc R . . 
C14 C 0.389(3) 0.3571(11) -0.0333(3) 0.112(5) Uani 1 1 d . . . 
H14 H 0.4091 0.3219 -0.0568 0.135 Uiso 1 1 calc R . . 
C15 C 0.525(2) 0.4158(10) -0.0155(3) 0.096(4) Uani 1 1 d . . . 
H15 H 0.6355 0.4185 -0.0271 0.115 Uiso 1 1 calc R . . 
C16 C 0.4936(18) 0.4688(8) 0.0188(2) 0.075(3) Uani 1 1 d . . . 
H16 H 0.5842 0.5073 0.0303 0.090 Uiso 1 1 calc R . . 
C17 C 0.3280(13) 0.4667(7) 0.0372(2) 0.057(2) Uani 1 1 d . . . 
C18 C 0.2934(12) 0.5222(7) 0.0734(2) 0.050(2) Uani 1 1 d . . . 
C19 C 0.4366(10) 0.5839(6) 0.0919(2) 0.0465(19) Uani 1 1 d . . . 
C20 C 0.4796(13) 0.6856(7) 0.0749(3) 0.061(2) Uani 1 1 d . . . 
C21 C 0.4134(15) 0.7197(9) 0.0383(3) 0.077(3) Uani 1 1 d . . . 
H21 H 0.3438 0.6742 0.0235 0.092 Uiso 1 1 calc R . . 
C22 C 0.450(2) 0.8177(10) 0.0245(4) 0.103(5) Uani 1 1 d . . . 
H22 H 0.3988 0.8406 0.0012 0.123 Uiso 1 1 calc R . . 
C23 C 0.563(2) 0.8844(11) 0.0450(5) 0.117(5) Uani 1 1 d . . . 
H23 H 0.5906 0.9504 0.0347 0.141 Uiso 1 1 calc R . . 
C24 C 0.6326(18) 0.8544(12) 0.0795(5) 0.108(5) Uani 1 1 d . . . 
H24 H 0.7073 0.9003 0.0928 0.129 Uiso 1 1 calc R . . 
C25 C 0.5950(15) 0.7549(8) 0.0959(4) 0.077(3) Uani 1 1 d . . . 
C26 C 0.6632(13) 0.7227(9) 0.1321(4) 0.075(3) Uani 1 1 d . . . 
H26 H 0.7345 0.7684 0.1464 0.089 Uiso 1 1 calc R . . 
C27 C 0.6262(11) 0.6265(8) 0.1464(3) 0.064(2) Uani 1 1 d . . . 
H27 H 0.6785 0.6057 0.1698 0.076 Uiso 1 1 calc R . . 
C28 C 0.5112(13) 0.5552(7) 0.1273(2) 0.0518(18) Uani 1 1 d . . . 
C29 C 0.4803(13) 0.4505(7) 0.1460(2) 0.053(2) Uani 1 1 d . . . 
C30 C 0.4654(10) 0.3584(7) 0.1244(2) 0.053(2) Uani 1 1 d . . . 
H30 H 0.4747 0.3617 0.0972 0.064 Uiso 1 1 calc R . . 
C31 C 0.4371(12) 0.2614(8) 0.1422(3) 0.061(3) Uani 1 1 d . A . 
C32 C 0.4244(13) 0.2549(9) 0.1826(3) 0.067(3) Uani 1 1 d . . . 
H32 H 0.4024 0.1903 0.1947 0.081 Uiso 1 1 calc R . . 
C33 C 0.4442(12) 0.3432(10) 0.2045(3) 0.069(3) Uani 1 1 d . B . 
C34 C 0.4669(12) 0.4425(10) 0.1867(2) 0.067(3) Uani 1 1 d . . . 
H34 H 0.4731 0.5031 0.2021 0.080 Uiso 1 1 calc R . . 
C35 C 0.4173(18) 0.1650(10) 0.1175(3) 0.083(3) Uani 1 1 d . . . 
C36 C 0.4349(18) 0.3427(15) 0.2498(4) 0.101(5) Uani 1 1 d . . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
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 C1 2.012(9) . ? 
Au1 I1 2.5312(9) . ? 
N1 C1 1.328(11) . ? 
N1 C3 1.373(12) . ? 
N1 C9 1.461(11) . ? 
N2 C1 1.348(11) . ? 
N2 C2 1.357(14) . ? 
N2 C8 1.501(13) . ? 
F2 C35 1.327(14) . ? 
F3 C35 1.289(13) . ? 
F1 C35 1.314(18) . ? 
F4 C36 1.31(2) . ? 
F5 C36 1.36(2) . ? 
F6 C36 1.267(18) . ? 
F1' C35 1.34(3) . ? 
F4' C36 1.37(3) . ? 
F5' C36 1.24(2) . ? 
F6' C36 1.36(3) . ? 
C2 C3 1.390(14) . ? 
C2 C7 1.389(17) . ? 
C3 C4 1.380(15) . ? 
C4 C5 1.405(16) . ? 
C4 H4 0.9300 . ? 
C5 C6 1.367(19) . ? 
C5 H5 0.9300 . ? 
C6 C7 1.36(2) . ? 
C6 H6 0.9300 . ? 
C7 H7 0.9300 . ? 
C8 H8A 0.9600 . ? 
C8 H8B 0.9600 . ? 
C8 H8C 0.9600 . ? 
C9 C18 1.350(12) . ? 
C9 C10 1.406(13) . ? 
C10 C11 1.347(14) . ? 
C10 H10 0.9300 . ? 
C11 C12 1.420(16) . ? 
C11 H11 0.9300 . ? 
C12 C17 1.389(14) . ? 
C12 C13 1.422(15) . ? 
C13 C14 1.37(2) . ? 
C13 H13 0.9300 . ? 
C14 C15 1.41(2) . ? 
C14 H14 0.9300 . ? 
C15 C16 1.367(14) . ? 
C15 H15 0.9300 . ? 
C16 C17 1.408(15) . ? 
C16 H16 0.9300 . ? 
C17 C18 1.441(12) . ? 
C18 C19 1.482(12) . ? 
C19 C28 1.380(12) . ? 
C19 C20 1.447(12) . ? 
C20 C21 1.411(14) . ? 
C20 C25 1.432(14) . ? 
C21 C22 1.353(15) . ? 
C21 H21 0.9300 . ? 
C22 C23 1.39(2) . ? 
C22 H22 0.9300 . ? 
C23 C24 1.34(2) . ? 
C23 H23 0.9300 . ? 
C24 C25 1.405(18) . ? 
C24 H24 0.9300 . ? 
C25 C26 1.398(16) . ? 
C26 C27 1.338(14) . ? 
C26 H26 0.9300 . ? 
C27 C28 1.414(12) . ? 
C27 H27 0.9300 . ? 
C28 C29 1.486(12) . ? 
C29 C30 1.382(12) . ? 
C29 C34 1.390(10) . ? 
C30 C31 1.385(12) . ? 
C30 H30 0.9300 . ? 
C31 C32 1.380(12) . ? 
C31 C35 1.488(15) . ? 
C32 C33 1.350(15) . ? 
C32 H32 0.9300 . ? 
C33 C34 1.405(15) . ? 
C33 C36 1.542(15) . ? 
C34 H34 0.9300 . ? 
  
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 
C1 Au1 I1 179.2(2) . . ? 
C1 N1 C3 111.5(7) . . ? 
C1 N1 C9 121.1(7) . . ? 
C3 N1 C9 126.9(8) . . ? 
C1 N2 C2 111.6(8) . . ? 
C1 N2 C8 122.8(11) . . ? 
C2 N2 C8 125.5(10) . . ? 
N1 C1 N2 105.5(8) . . ? 
N1 C1 Au1 129.0(6) . . ? 
N2 C1 Au1 124.8(7) . . ? 
N2 C2 C3 105.8(9) . . ? 
N2 C2 C7 131.2(12) . . ? 
C3 C2 C7 123.0(13) . . ? 
N1 C3 C4 133.1(9) . . ? 
N1 C3 C2 105.7(9) . . ? 
C4 C3 C2 121.1(10) . . ? 
C3 C4 C5 115.9(11) . . ? 
C3 C4 H4 122.0 . . ? 
C5 C4 H4 122.0 . . ? 
C6 C5 C4 120.7(14) . . ? 
C6 C5 H5 119.6 . . ? 
C4 C5 H5 119.6 . . ? 
C7 C6 C5 124.7(13) . . ? 
C7 C6 H6 117.6 . . ? 
C5 C6 H6 117.6 . . ? 
C6 C7 C2 114.4(12) . . ? 
C6 C7 H7 122.8 . . ? 
C2 C7 H7 122.8 . . ? 
N2 C8 H8A 109.5 . . ? 
N2 C8 H8B 109.5 . . ? 
H8A C8 H8B 109.5 . . ? 
N2 C8 H8C 109.5 . . ? 
H8A C8 H8C 109.5 . . ? 
H8B C8 H8C 109.5 . . ? 
C18 C9 C10 123.4(9) . . ? 
C18 C9 N1 120.2(7) . . ? 
C10 C9 N1 116.4(8) . . ? 
C11 C10 C9 119.2(11) . . ? 
C11 C10 H10 120.4 . . ? 
C9 C10 H10 120.4 . . ? 
C10 C11 C12 120.5(10) . . ? 
C10 C11 H11 119.8 . . ? 
C12 C11 H11 119.8 . . ? 
C17 C12 C11 119.7(9) . . ? 
C17 C12 C13 120.7(12) . . ? 
C11 C12 C13 119.4(11) . . ? 
C14 C13 C12 119.5(13) . . ? 
C14 C13 H13 120.3 . . ? 
C12 C13 H13 120.3 . . ? 
C13 C14 C15 120.3(11) . . ? 
C13 C14 H14 119.9 . . ? 
C15 C14 H14 119.9 . . ? 
C16 C15 C14 119.6(14) . . ? 
C16 C15 H15 120.2 . . ? 
C14 C15 H15 120.2 . . ? 
C15 C16 C17 121.8(13) . . ? 
C15 C16 H16 119.1 . . ? 
C17 C16 H16 119.1 . . ? 
C12 C17 C16 118.0(9) . . ? 
C12 C17 C18 119.6(9) . . ? 
C16 C17 C18 122.3(9) . . ? 
C9 C18 C17 117.5(8) . . ? 
C9 C18 C19 123.4(8) . . ? 
C17 C18 C19 119.1(8) . . ? 
C28 C19 C20 119.3(8) . . ? 
C28 C19 C18 122.4(7) . . ? 
C20 C19 C18 117.6(8) . . ? 
C21 C20 C25 118.2(9) . . ? 
C21 C20 C19 122.9(9) . . ? 
C25 C20 C19 118.9(9) . . ? 
C22 C21 C20 120.8(12) . . ? 
C22 C21 H21 119.6 . . ? 
C20 C21 H21 119.6 . . ? 
C21 C22 C23 120.5(13) . . ? 
C21 C22 H22 119.7 . . ? 
C23 C22 H22 119.7 . . ? 
C24 C23 C22 120.7(12) . . ? 
C24 C23 H23 119.6 . . ? 
C22 C23 H23 119.6 . . ? 
C23 C24 C25 121.3(13) . . ? 
C23 C24 H24 119.3 . . ? 
C25 C24 H24 119.3 . . ? 
C26 C25 C24 122.4(12) . . ? 
C26 C25 C20 119.3(9) . . ? 
C24 C25 C20 118.3(12) . . ? 
C27 C26 C25 120.3(10) . . ? 
C27 C26 H26 119.8 . . ? 
C25 C26 H26 119.8 . . ? 
C26 C27 C28 123.0(10) . . ? 
C26 C27 H27 118.5 . . ? 
C28 C27 H27 118.5 . . ? 
C19 C28 C27 119.1(8) . . ? 
C19 C28 C29 122.9(8) . . ? 
C27 C28 C29 118.0(8) . . ? 
C30 C29 C34 117.5(9) . . ? 
C30 C29 C28 122.3(7) . . ? 
C34 C29 C28 120.2(9) . . ? 
C29 C30 C31 121.7(7) . . ? 
C29 C30 H30 119.2 . . ? 
C31 C30 H30 119.2 . . ? 
C32 C31 C30 119.9(10) . . ? 
C32 C31 C35 120.5(10) . . ? 
C30 C31 C35 119.6(8) . . ? 
C33 C32 C31 119.6(10) . . ? 
C33 C32 H32 120.2 . . ? 
C31 C32 H32 120.2 . . ? 
C32 C33 C34 120.9(8) . . ? 
C32 C33 C36 122.9(11) . . ? 
C34 C33 C36 116.2(12) . . ? 
C29 C34 C33 120.3(10) . . ? 
C29 C34 H34 119.9 . . ? 
C33 C34 H34 119.9 . . ? 
F3 C35 F1 101.4(13) . . ? 
F3 C35 F2 103.7(11) . . ? 
F1 C35 F2 115.4(11) . . ? 
F3 C35 F1' 120.8(17) . . ? 
F1 C35 F1' 30.9(11) . . ? 
F2 C35 F1' 86.4(13) . . ? 
F3 C35 C31 114.2(9) . . ? 
F1 C35 C31 111.2(12) . . ? 
F2 C35 C31 110.5(11) . . ? 
F1' C35 C31 115.9(15) . . ? 
F5' C36 F6 139.3(15) . . ? 
F5' C36 F4 58.5(13) . . ? 
F6 C36 F4 109.5(18) . . ? 
F5' C36 F5 57.0(14) . . ? 
F6 C36 F5 103.8(16) . . ? 
F4 C36 F5 111.3(13) . . ? 
F5' C36 F6' 108.5(19) . . ? 
F6 C36 F6' 52.1(13) . . ? 
F4 C36 F6' 138.8(15) . . ? 
F5 C36 F6' 54.5(13) . . ? 
F5' C36 F4' 118(2) . . ? 
F6 C36 F4' 49.5(13) . . ? 
F4 C36 F4' 63.7(17) . . ? 
F5 C36 F4' 137.5(16) . . ? 
F6' C36 F4' 99.6(18) . . ? 
F5' C36 C33 109.2(14) . . ? 
F6 C36 C33 110.9(11) . . ? 
F4 C36 C33 113.7(12) . . ? 
F5 C36 C33 107.2(14) . . ? 
F6' C36 C33 107.5(16) . . ? 
F4' C36 C33 113.2(14) . . ? 
  
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 
C3 N1 C1 N2 0.7(10) . . . . ? 
C9 N1 C1 N2 172.8(7) . . . . ? 
C3 N1 C1 Au1 170.8(6) . . . . ? 
C9 N1 C1 Au1 -17.0(12) . . . . ? 
C2 N2 C1 N1 -1.2(10) . . . . ? 
C8 N2 C1 N1 176.1(10) . . . . ? 
C2 N2 C1 Au1 -171.9(7) . . . . ? 
C8 N2 C1 Au1 5.4(13) . . . . ? 
I1 Au1 C1 N1 -130(19) . . . . ? 
I1 Au1 C1 N2 39(19) . . . . ? 
C1 N2 C2 C3 1.2(11) . . . . ? 
C8 N2 C2 C3 -176.0(11) . . . . ? 
C1 N2 C2 C7 -179.4(12) . . . . ? 
C8 N2 C2 C7 3(2) . . . . ? 
C1 N1 C3 C4 -175.6(10) . . . . ? 
C9 N1 C3 C4 12.8(17) . . . . ? 
C1 N1 C3 C2 0.1(11) . . . . ? 
C9 N1 C3 C2 -171.5(8) . . . . ? 
N2 C2 C3 N1 -0.8(11) . . . . ? 
C7 C2 C3 N1 179.8(11) . . . . ? 
N2 C2 C3 C4 175.6(9) . . . . ? 
C7 C2 C3 C4 -3.9(17) . . . . ? 
N1 C3 C4 C5 178.2(11) . . . . ? 
C2 C3 C4 C5 3.1(15) . . . . ? 
C3 C4 C5 C6 -1.6(17) . . . . ? 
C4 C5 C6 C7 1(2) . . . . ? 
C5 C6 C7 C2 -1(2) . . . . ? 
N2 C2 C7 C6 -176.5(12) . . . . ? 
C3 C2 C7 C6 2.8(18) . . . . ? 
C1 N1 C9 C18 -110.6(9) . . . . ? 
C3 N1 C9 C18 60.2(13) . . . . ? 
C1 N1 C9 C10 68.0(10) . . . . ? 
C3 N1 C9 C10 -121.1(10) . . . . ? 
C18 C9 C10 C11 2.4(13) . . . . ? 
N1 C9 C10 C11 -176.2(8) . . . . ? 
C9 C10 C11 C12 -1.0(13) . . . . ? 
C10 C11 C12 C17 -1.8(14) . . . . ? 
C10 C11 C12 C13 -177.8(8) . . . . ? 
C17 C12 C13 C14 1.3(15) . . . . ? 
C11 C12 C13 C14 177.3(10) . . . . ? 
C12 C13 C14 C15 0.4(18) . . . . ? 
C13 C14 C15 C16 -1.1(19) . . . . ? 
C14 C15 C16 C17 -0.1(17) . . . . ? 
C11 C12 C17 C16 -178.4(9) . . . . ? 
C13 C12 C17 C16 -2.4(13) . . . . ? 
C11 C12 C17 C18 3.3(13) . . . . ? 
C13 C12 C17 C18 179.3(8) . . . . ? 
C15 C16 C17 C12 1.8(14) . . . . ? 
C15 C16 C17 C18 -180.0(9) . . . . ? 
C10 C9 C18 C17 -0.8(13) . . . . ? 
N1 C9 C18 C17 177.7(7) . . . . ? 
C10 C9 C18 C19 178.9(8) . . . . ? 
N1 C9 C18 C19 -2.6(13) . . . . ? 
C12 C17 C18 C9 -2.0(12) . . . . ? 
C16 C17 C18 C9 179.7(8) . . . . ? 
C12 C17 C18 C19 178.3(8) . . . . ? 
C16 C17 C18 C19 0.0(13) . . . . ? 
C9 C18 C19 C28 67.9(12) . . . . ? 
C17 C18 C19 C28 -112.4(9) . . . . ? 
C9 C18 C19 C20 -102.7(10) . . . . ? 
C17 C18 C19 C20 76.9(10) . . . . ? 
C28 C19 C20 C21 178.0(9) . . . . ? 
C18 C19 C20 C21 -11.0(13) . . . . ? 
C28 C19 C20 C25 -1.7(13) . . . . ? 
C18 C19 C20 C25 169.2(9) . . . . ? 
C25 C20 C21 C22 -3.8(17) . . . . ? 
C19 C20 C21 C22 176.5(11) . . . . ? 
C20 C21 C22 C23 4(2) . . . . ? 
C21 C22 C23 C24 -3(2) . . . . ? 
C22 C23 C24 C25 0(2) . . . . ? 
C23 C24 C25 C26 -178.7(13) . . . . ? 
C23 C24 C25 C20 0(2) . . . . ? 
C21 C20 C25 C26 -179.7(10) . . . . ? 
C19 C20 C25 C26 0.1(15) . . . . ? 
C21 C20 C25 C24 1.6(16) . . . . ? 
C19 C20 C25 C24 -178.6(10) . . . . ? 
C24 C25 C26 C27 -178.9(11) . . . . ? 
C20 C25 C26 C27 2.5(16) . . . . ? 
C25 C26 C27 C28 -3.5(16) . . . . ? 
C20 C19 C28 C27 0.8(12) . . . . ? 
C18 C19 C28 C27 -169.7(8) . . . . ? 
C20 C19 C28 C29 -177.3(8) . . . . ? 
C18 C19 C28 C29 12.2(13) . . . . ? 
C26 C27 C28 C19 1.8(14) . . . . ? 
C26 C27 C28 C29 -179.9(9) . . . . ? 
C19 C28 C29 C30 37.0(14) . . . . ? 
C27 C28 C29 C30 -141.2(9) . . . . ? 
C19 C28 C29 C34 -143.6(10) . . . . ? 
C27 C28 C29 C34 38.2(14) . . . . ? 
C34 C29 C30 C31 0.4(15) . . . . ? 
C28 C29 C30 C31 179.8(9) . . . . ? 
C29 C30 C31 C32 -0.5(14) . . . . ? 
C29 C30 C31 C35 178.4(9) . . . . ? 
C30 C31 C32 C33 -1.6(15) . . . . ? 
C35 C31 C32 C33 179.5(10) . . . . ? 
C31 C32 C33 C34 3.8(15) . . . . ? 
C31 C32 C33 C36 -179.0(10) . . . . ? 
C30 C29 C34 C33 1.8(16) . . . . ? 
C28 C29 C34 C33 -177.7(8) . . . . ? 
C32 C33 C34 C29 -4.0(16) . . . . ? 
C36 C33 C34 C29 178.7(10) . . . . ? 
C32 C31 C35 F3 -1.3(17) . . . . ? 
C30 C31 C35 F3 179.8(10) . . . . ? 
C32 C31 C35 F1 112.7(13) . . . . ? 
C30 C31 C35 F1 -66.2(15) . . . . ? 
C32 C31 C35 F2 -117.7(11) . . . . ? 
C30 C31 C35 F2 63.4(13) . . . . ? 
C32 C31 C35 F1' 146.1(16) . . . . ? 
C30 C31 C35 F1' -32.8(19) . . . . ? 
C32 C33 C36 F5' 80(2) . . . . ? 
C34 C33 C36 F5' -103.0(19) . . . . ? 
C32 C33 C36 F6 -93.1(19) . . . . ? 
C34 C33 C36 F6 84.1(19) . . . . ? 
C32 C33 C36 F4 142.9(14) . . . . ? 
C34 C33 C36 F4 -39.8(16) . . . . ? 
C32 C33 C36 F5 19.5(17) . . . . ? 
C34 C33 C36 F5 -163.2(12) . . . . ? 
C32 C33 C36 F6' -37.8(19) . . . . ? 
C34 C33 C36 F6' 139.5(16) . . . . ? 
C32 C33 C36 F4' -146.8(19) . . . . ? 
C34 C33 C36 F4' 30(2) . . . . ? 
  
_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              25.99 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    1.632 
_refine_diff_density_min   -1.158 
_refine_diff_density_rms    0.102 
