  
data_cd212255 
  
_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                    9.6909(5) 
_cell_length_b                    18.5814(9) 
_cell_length_c                    36.0427(18) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      6490.2(6) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     6691 
_cell_measurement_theta_min       4.241 
_cell_measurement_theta_max       41.368 
  
_exptl_crystal_description        prismatic 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.321 
_exptl_crystal_size_mid           0.212 
_exptl_crystal_size_min           0.143 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.884 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              3504 
_exptl_absorpt_coefficient_mu     5.548 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.29467 
_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             39571 
_diffrn_reflns_av_R_equivalents   0.0674 
_diffrn_reflns_av_sigmaI/netI     0.0807 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        22 
_diffrn_reflns_limit_l_min        -44 
_diffrn_reflns_limit_l_max        44 
_diffrn_reflns_theta_min          2.02 
_diffrn_reflns_theta_max          26.00 
_reflns_number_total              12720 
_reflns_number_gt                 9020 
_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)+(0.0124P)²+0.0000P] 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      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -0.001(5) 
_chemical_absolute_configuration  ad 
_refine_ls_number_reflns          12720 
_refine_ls_number_parameters      939 
_refine_ls_number_restraints      190 
_refine_ls_R_factor_all           0.0684 
_refine_ls_R_factor_gt            0.0421 
_refine_ls_wR_factor_ref          0.0881 
_refine_ls_wR_factor_gt           0.0793 
_refine_ls_goodness_of_fit_ref    0.947 
_refine_ls_restrained_S_all       0.968 
_refine_ls_shift/su_max           0.003 
_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 0.49751(4) 0.654287(17) 0.735838(9) 0.06629(10) Uani 1 1 d . . . 
Au1' Au 0.51605(4) 0.956398(17) 0.892096(9) 0.06364(10) Uani 1 1 d . . . 
I1 I 0.56798(8) 0.60142(4) 0.798163(19) 0.0921(2) Uani 1 1 d . . . 
I1' I 0.65909(6) 1.04903(3) 0.926959(19) 0.07736(19) Uani 1 1 d . . . 
N1 N 0.3131(7) 0.6705(5) 0.6698(2) 0.080(3) Uani 1 1 d . . . 
N2 N 0.4636(7) 0.7556(4) 0.67085(19) 0.0648(19) Uani 1 1 d . . . 
N1' N 0.3799(8) 0.9074(5) 0.8234(2) 0.073(2) Uani 1 1 d . . . 
N2' N 0.3485(7) 0.8273(4) 0.86583(18) 0.0598(18) Uani 1 1 d . . . 
F1 F 0.4984(14) 0.6970(6) 0.4895(3) 0.077(3) Uani 0.60 1 d PDU A 1 
F2 F 0.3256(14) 0.7257(10) 0.5199(4) 0.100(4) Uani 0.50 1 d PDU A 1 
F3 F 0.410(2) 0.7995(11) 0.4803(6) 0.125(7) Uani 0.50 1 d PDU A 1 
F4 F 0.6930(19) 0.9803(8) 0.5955(4) 0.107(5) Uani 0.50 1 d PDU B 1 
F5 F 0.711(2) 0.9813(10) 0.5366(5) 0.123(7) Uani 0.50 1 d PDU B 1 
F6 F 0.8765(14) 0.9432(8) 0.5711(5) 0.104(5) Uani 0.50 1 d PDU B 1 
F7 F -0.170(2) 0.9053(9) 0.7984(5) 0.113(5) Uani 0.50 1 d PDU C 1 
F8 F -0.1791(16) 0.7995(7) 0.7778(3) 0.085(4) Uani 0.50 1 d PDU C 1 
F9 F -0.3456(12) 0.8312(9) 0.8102(4) 0.090(4) Uani 0.50 1 d PDU C 1 
F10 F -0.146(2) 0.5936(8) 0.8664(5) 0.114(5) Uani 0.50 1 d PDU D 1 
F11 F -0.184(2) 0.6278(8) 0.9214(5) 0.129(5) Uani 0.50 1 d PDU D 1 
F12 F 0.0251(15) 0.6095(9) 0.9024(5) 0.113(6) Uani 0.50 1 d PDU D 1 
F1' F 0.444(2) 0.6869(9) 0.4978(7) 0.103(8) Uani 0.40 1 d PDU A 2 
F2' F 0.3182(13) 0.7750(8) 0.5136(4) 0.091(4) Uani 0.50 1 d PDU A 2 
F3' F 0.4762(17) 0.7982(9) 0.4756(3) 0.083(4) Uani 0.50 1 d PDU A 2 
F4' F 0.6311(17) 0.9861(8) 0.5758(6) 0.128(6) Uani 0.50 1 d PDU B 2 
F5' F 0.7744(18) 0.9668(10) 0.5327(4) 0.107(6) Uani 0.50 1 d PDU B 2 
F6' F 0.833(2) 0.9583(11) 0.5888(5) 0.136(7) Uani 0.50 1 d PDU B 2 
F7' F -0.2450(16) 0.9069(7) 0.8096(4) 0.092(5) Uani 0.50 1 d PDU C 2 
F8' F -0.1202(16) 0.8426(12) 0.7776(4) 0.123(6) Uani 0.50 1 d PDU C 2 
F9' F -0.314(2) 0.8037(10) 0.7947(6) 0.141(7) Uani 0.50 1 d PDU C 2 
F10' F -0.0462(19) 0.5961(8) 0.8625(4) 0.117(5) Uani 0.50 1 d PDU D 2 
F11' F -0.2291(13) 0.6138(8) 0.8919(6) 0.111(4) Uani 0.50 1 d PDU D 2 
F12' F -0.0296(19) 0.6138(8) 0.9199(4) 0.104(5) Uani 0.50 1 d PDU D 2 
C1 C 0.4256(9) 0.6950(6) 0.6883(3) 0.073(3) Uani 1 1 d . . . 
C2 C 0.3715(9) 0.7738(7) 0.6424(2) 0.077(3) Uani 1 1 d . . . 
C3 C 0.2808(10) 0.7178(8) 0.6419(3) 0.081(3) Uani 1 1 d . . . 
C4 C 0.1673(12) 0.7161(8) 0.6155(3) 0.105(4) Uani 1 1 d U . . 
H4 H 0.1034 0.6789 0.6137 0.126 Uiso 1 1 calc R . . 
C5 C 0.1667(14) 0.7746(8) 0.5943(3) 0.112(4) Uani 1 1 d U . . 
H5 H 0.0945 0.7766 0.5773 0.134 Uiso 1 1 calc R . . 
C6 C 0.2554(13) 0.8331(8) 0.5932(3) 0.109(4) Uani 1 1 d U . . 
H6 H 0.2422 0.8714 0.5770 0.130 Uiso 1 1 calc R . . 
C7 C 0.3655(11) 0.8308(7) 0.6181(3) 0.102(4) Uani 1 1 d . . . 
H7 H 0.4327 0.8665 0.6182 0.122 Uiso 1 1 calc R . . 
C8 C 0.2376(11) 0.6067(7) 0.6804(3) 0.111(4) Uani 1 1 d . . . 
H8A H 0.2728 0.5888 0.7035 0.166 Uiso 1 1 calc R . . 
H8B H 0.2480 0.5706 0.6616 0.166 Uiso 1 1 calc R . . 
H8C H 0.1416 0.6184 0.6832 0.166 Uiso 1 1 calc R . . 
C9 C 0.5773(9) 0.8013(4) 0.6812(2) 0.054(2) Uani 1 1 d . . . 
C10 C 0.5453(10) 0.8698(5) 0.6962(2) 0.072(3) Uani 1 1 d . . . 
H10 H 0.4543 0.8805 0.7023 0.086 Uiso 1 1 calc R . . 
C11 C 0.6422(12) 0.9191(5) 0.7016(3) 0.080(3) Uani 1 1 d . . . 
H11 H 0.6170 0.9644 0.7103 0.096 Uiso 1 1 calc R . . 
C12 C 0.7820(10) 0.9046(5) 0.6945(2) 0.061(2) Uani 1 1 d . . . 
C13 C 0.8883(12) 0.9548(5) 0.6986(3) 0.079(3) Uani 1 1 d . . . 
H13 H 0.8658 0.9997 0.7083 0.094 Uiso 1 1 calc R . . 
C14 C 1.0176(12) 0.9431(5) 0.6896(2) 0.085(3) Uani 1 1 d . . . 
H14 H 1.0833 0.9795 0.6912 0.102 Uiso 1 1 calc R . . 
C15 C 1.0533(10) 0.8732(5) 0.6775(2) 0.080(3) Uani 1 1 d . . . 
H15 H 1.1452 0.8626 0.6725 0.096 Uiso 1 1 calc R . . 
C16 C 0.9565(8) 0.8211(4) 0.6730(2) 0.058(2) Uani 1 1 d . . . 
H16 H 0.9826 0.7759 0.6645 0.070 Uiso 1 1 calc R . . 
C17 C 0.8169(8) 0.8350(4) 0.68113(19) 0.0479(19) Uani 1 1 d . . . 
C18 C 0.7123(7) 0.7838(4) 0.67365(19) 0.0412(17) Uani 1 1 d . . . 
C19 C 0.7462(7) 0.7117(4) 0.65654(19) 0.0375(17) Uani 1 1 d . . . 
C20 C 0.8050(7) 0.6583(4) 0.67960(19) 0.0423(18) Uani 1 1 d . . . 
C21 C 0.8383(8) 0.6696(5) 0.7175(2) 0.055(2) Uani 1 1 d . . . 
H21 H 0.8222 0.7145 0.7280 0.066 Uiso 1 1 calc R . . 
C22 C 0.8927(9) 0.6168(6) 0.7387(3) 0.074(3) Uani 1 1 d . . . 
H22 H 0.9118 0.6259 0.7636 0.089 Uiso 1 1 calc R . . 
C23 C 0.9206(9) 0.5492(6) 0.7241(3) 0.083(3) Uani 1 1 d . . . 
H23 H 0.9586 0.5134 0.7389 0.100 Uiso 1 1 calc R . . 
C24 C 0.8920(8) 0.5363(5) 0.6883(3) 0.066(2) Uani 1 1 d . . . 
H24 H 0.9124 0.4912 0.6785 0.079 Uiso 1 1 calc R . . 
C25 C 0.8320(8) 0.5887(4) 0.6649(2) 0.053(2) Uani 1 1 d . . . 
C26 C 0.8000(8) 0.5749(4) 0.6275(2) 0.055(2) Uani 1 1 d . . . 
H26 H 0.8144 0.5291 0.6177 0.066 Uiso 1 1 calc R . . 
C27 C 0.7487(8) 0.6274(4) 0.6058(2) 0.055(2) Uani 1 1 d . . . 
H27 H 0.7299 0.6173 0.5810 0.066 Uiso 1 1 calc R . . 
C28 C 0.7225(7) 0.6973(4) 0.6194(2) 0.0436(18) Uani 1 1 d . . . 
C29 C 0.6726(8) 0.7509(4) 0.59152(19) 0.0451(18) Uani 1 1 d . . . 
C30 C 0.5797(8) 0.7308(4) 0.5639(2) 0.052(2) Uani 1 1 d . . . 
H30 H 0.5424 0.6846 0.5639 0.062 Uiso 1 1 calc R . . 
C31 C 0.5427(8) 0.7796(5) 0.5363(2) 0.060(2) Uani 1 1 d D A . 
C32 C 0.5925(10) 0.8469(5) 0.5364(2) 0.069(2) Uani 1 1 d . . . 
H32 H 0.5675 0.8790 0.5178 0.082 Uiso 1 1 calc R . . 
C33 C 0.6812(9) 0.8684(4) 0.5644(2) 0.061(2) Uani 1 1 d D B . 
C34 C 0.7248(8) 0.8205(4) 0.5916(2) 0.052(2) Uani 1 1 d . . . 
H34 H 0.7880 0.8348 0.6096 0.062 Uiso 1 1 calc R . . 
C35 C 0.4465(11) 0.7552(5) 0.5062(2) 0.084(3) Uani 1 1 d D . . 
C36 C 0.7360(13) 0.9432(6) 0.5659(3) 0.101(4) Uani 1 1 d D . . 
C1' C 0.4060(9) 0.8917(5) 0.8594(2) 0.059(2) Uani 1 1 d . . . 
C2' C 0.2864(9) 0.7995(6) 0.8333(2) 0.065(2) Uani 1 1 d . . . 
C3' C 0.3080(9) 0.8523(8) 0.8068(3) 0.077(3) Uani 1 1 d . . . 
C4' C 0.2538(12) 0.8416(9) 0.7711(3) 0.100(4) Uani 1 1 d . . . 
H4' H 0.2617 0.8769 0.7530 0.120 Uiso 1 1 calc R . . 
C5' C 0.1903(13) 0.7788(10) 0.7639(4) 0.119(5) Uani 1 1 d . . . 
H5' H 0.1565 0.7704 0.7402 0.143 Uiso 1 1 calc R . . 
C6' C 0.1740(12) 0.7276(8) 0.7902(3) 0.101(4) Uani 1 1 d . . . 
H6' H 0.1288 0.6852 0.7838 0.121 Uiso 1 1 calc R . . 
C7' C 0.2208(10) 0.7354(7) 0.8255(3) 0.084(3) Uani 1 1 d . . . 
H7' H 0.2094 0.6997 0.8434 0.101 Uiso 1 1 calc R . . 
C8' C 0.4357(11) 0.9694(6) 0.8031(3) 0.107(4) Uani 1 1 d . . . 
H8'1 H 0.3873 0.9747 0.7800 0.160 Uiso 1 1 calc R . . 
H8'2 H 0.5320 0.9618 0.7983 0.160 Uiso 1 1 calc R . . 
H8'3 H 0.4241 1.0122 0.8177 0.160 Uiso 1 1 calc R . . 
C9' C 0.3535(8) 0.7836(4) 0.8990(2) 0.0491(19) Uani 1 1 d . . . 
C10' C 0.4361(8) 0.7196(4) 0.8963(3) 0.061(2) Uani 1 1 d . . . 
H10' H 0.4864 0.7102 0.8748 0.074 Uiso 1 1 calc R . . 
C11' C 0.4399(9) 0.6735(5) 0.9250(3) 0.072(3) Uani 1 1 d . . . 
H11' H 0.4942 0.6323 0.9232 0.087 Uiso 1 1 calc R . . 
C12' C 0.3639(8) 0.6860(4) 0.9575(2) 0.055(2) Uani 1 1 d . . . 
C13' C 0.3601(11) 0.6374(4) 0.9878(3) 0.079(3) Uani 1 1 d . . . 
H13' H 0.4111 0.5951 0.9865 0.095 Uiso 1 1 calc R . . 
C14' C 0.2841(10) 0.6510(5) 1.0186(3) 0.079(3) Uani 1 1 d . . . 
H14' H 0.2841 0.6183 1.0382 0.095 Uiso 1 1 calc R . . 
C15' C 0.2072(9) 0.7129(5) 1.0212(2) 0.065(2) Uani 1 1 d . . . 
H15' H 0.1547 0.7216 1.0423 0.078 Uiso 1 1 calc R . . 
C16' C 0.2071(8) 0.7613(4) 0.9932(2) 0.055(2) Uani 1 1 d . . . 
H16' H 0.1536 0.8026 0.9955 0.067 Uiso 1 1 calc R . . 
C17' C 0.2856(7) 0.7514(4) 0.9605(2) 0.0460(19) Uani 1 1 d . . . 
C18' C 0.2824(7) 0.8000(4) 0.9300(2) 0.0461(18) Uani 1 1 d . . . 
C19' C 0.2049(8) 0.8689(4) 0.93517(19) 0.0435(18) Uani 1 1 d . . . 
C20' C 0.2656(8) 0.9217(4) 0.9602(2) 0.0450(18) Uani 1 1 d . . . 
C21' C 0.3938(8) 0.9102(4) 0.9778(2) 0.0497(19) Uani 1 1 d . . . 
H21' H 0.4436 0.8686 0.9726 0.060 Uiso 1 1 calc R . . 
C22' C 0.4448(8) 0.9582(4) 1.0019(2) 0.061(2) Uani 1 1 d . . . 
H22' H 0.5280 0.9487 1.0138 0.073 Uiso 1 1 calc R . . 
C23' C 0.3750(10) 1.0224(5) 1.0094(2) 0.070(3) Uani 1 1 d . . . 
H23' H 0.4134 1.0561 1.0255 0.085 Uiso 1 1 calc R . . 
C24' C 0.2503(10) 1.0355(5) 0.9931(2) 0.066(2) Uani 1 1 d . . . 
H24' H 0.2035 1.0779 0.9984 0.079 Uiso 1 1 calc R . . 
C25' C 0.1913(9) 0.9849(4) 0.9681(2) 0.051(2) Uani 1 1 d . . . 
C26' C 0.0638(8) 0.9969(4) 0.9503(2) 0.053(2) Uani 1 1 d . . . 
H26' H 0.0162 1.0395 0.9549 0.064 Uiso 1 1 calc R . . 
C27' C 0.0098(8) 0.9487(4) 0.92710(18) 0.0503(17) Uani 1 1 d . . . 
H27' H -0.0746 0.9584 0.9158 0.060 Uiso 1 1 calc R . . 
C28' C 0.0781(7) 0.8830(4) 0.91920(19) 0.0420(17) Uani 1 1 d . . . 
C29' C 0.0051(7) 0.8308(3) 0.89489(18) 0.0444(15) Uani 1 1 d . . . 
C30' C -0.0626(8) 0.8556(4) 0.8632(2) 0.059(2) Uani 1 1 d . . . 
H30' H -0.0574 0.9041 0.8571 0.071 Uiso 1 1 calc R . . 
C31' C -0.1368(8) 0.8098(5) 0.8410(2) 0.056(2) Uani 1 1 d D C . 
C32' C -0.1497(9) 0.7376(5) 0.8497(2) 0.067(2) Uani 1 1 d . . . 
H32' H -0.1999 0.7065 0.8346 0.081 Uiso 1 1 calc R . . 
C33' C -0.0866(9) 0.7142(4) 0.8808(2) 0.060(2) Uani 1 1 d D D . 
C34' C -0.0113(9) 0.7582(4) 0.90337(19) 0.0560(19) Uani 1 1 d . . . 
H34' H 0.0296 0.7395 0.9246 0.067 Uiso 1 1 calc R . . 
C35' C -0.2070(10) 0.8391(5) 0.8070(3) 0.080(3) Uani 1 1 d D . . 
C36' C -0.0996(12) 0.6345(6) 0.8913(3) 0.109(4) Uani 1 1 d 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 1.998(10) . ? 
Au1 I1 2.5451(8) . ? 
Au1' C1' 1.992(10) . ? 
Au1' I1' 2.5422(8) . ? 
N1 C1 1.356(11) . ? 
N1 C3 1.375(13) . ? 
N1 C8 1.444(13) . ? 
N2 C1 1.342(11) . ? 
N2 C2 1.403(11) . ? 
N2 C9 1.441(11) . ? 
N1' C1' 1.353(10) . ? 
N1' C3' 1.376(13) . ? 
N1' C8' 1.468(12) . ? 
N2' C1' 1.340(10) . ? 
N2' C2' 1.416(11) . ? 
N2' C9' 1.447(10) . ? 
F1 C35 1.336(13) . ? 
F2 C35 1.385(14) . ? 
F3 C35 1.296(15) . ? 
F4 C36 1.335(14) . ? 
F5 C36 1.294(15) . ? 
F6 C36 1.374(15) . ? 
F7 C35' 1.319(14) . ? 
F8 C35' 1.313(12) . ? 
F9 C35' 1.357(14) . ? 
F10 C36' 1.258(14) . ? 
F11 C36' 1.364(14) . ? 
F12 C36' 1.355(14) . ? 
F1' C35 1.306(17) . ? 
F2' C35 1.323(13) . ? 
F3' C35 1.393(14) . ? 
F4' C36 1.341(15) . ? 
F5' C36 1.327(15) . ? 
F6' C36 1.284(15) . ? 
F7' C35' 1.316(14) . ? 
F8' C35' 1.355(14) . ? 
F9' C35' 1.302(15) . ? 
F10' C36' 1.363(14) . ? 
F11' C36' 1.312(14) . ? 
F12' C36' 1.293(13) . ? 
C2 C3 1.361(15) . ? 
C2 C7 1.376(14) . ? 
C3 C4 1.454(15) . ? 
C4 C5 1.329(16) . ? 
C4 H4 0.9300 . ? 
C5 C6 1.386(18) . ? 
C5 H5 0.9300 . ? 
C6 C7 1.394(16) . ? 
C6 H6 0.9300 . ? 
C7 H7 0.9300 . ? 
C8 H8A 0.9600 . ? 
C8 H8B 0.9600 . ? 
C8 H8C 0.9600 . ? 
C9 C18 1.375(11) . ? 
C9 C10 1.417(11) . ? 
C10 C11 1.326(13) . ? 
C10 H10 0.9300 . ? 
C11 C12 1.405(13) . ? 
C11 H11 0.9300 . ? 
C12 C13 1.398(13) . ? 
C12 C17 1.421(11) . ? 
C13 C14 1.311(14) . ? 
C13 H13 0.9300 . ? 
C14 C15 1.414(13) . ? 
C14 H14 0.9300 . ? 
C15 C16 1.357(11) . ? 
C15 H15 0.9300 . ? 
C16 C17 1.407(11) . ? 
C16 H16 0.9300 . ? 
C17 C18 1.416(10) . ? 
C18 C19 1.511(9) . ? 
C19 C28 1.384(9) . ? 
C19 C20 1.415(10) . ? 
C20 C21 1.418(10) . ? 
C20 C25 1.421(11) . ? 
C21 C22 1.352(11) . ? 
C21 H21 0.9300 . ? 
C22 C23 1.389(14) . ? 
C22 H22 0.9300 . ? 
C23 C24 1.341(12) . ? 
C23 H23 0.9300 . ? 
C24 C25 1.413(11) . ? 
C24 H24 0.9300 . ? 
C25 C26 1.408(11) . ? 
C26 C27 1.347(10) . ? 
C26 H26 0.9300 . ? 
C27 C28 1.412(10) . ? 
C27 H27 0.9300 . ? 
C28 C29 1.496(10) . ? 
C29 C34 1.389(11) . ? 
C29 C30 1.393(10) . ? 
C30 C31 1.393(10) . ? 
C30 H30 0.9300 . ? 
C31 C32 1.342(12) . ? 
C31 C35 1.499(11) . ? 
C32 C33 1.385(12) . ? 
C32 H32 0.9300 . ? 
C33 C34 1.390(11) . ? 
C33 C36 1.489(12) . ? 
C34 H34 0.9300 . ? 
C2' C7' 1.378(14) . ? 
C2' C3' 1.383(14) . ? 
C3' C4' 1.404(14) . ? 
C4' C5' 1.344(18) . ? 
C4' H4' 0.9300 . ? 
C5' C6' 1.351(18) . ? 
C5' H5' 0.9300 . ? 
C6' C7' 1.360(14) . ? 
C6' H6' 0.9300 . ? 
C7' H7' 0.9300 . ? 
C8' H8'1 0.9600 . ? 
C8' H8'2 0.9600 . ? 
C8' H8'3 0.9600 . ? 
C9' C18' 1.347(10) . ? 
C9' C10' 1.437(10) . ? 
C10' C11' 1.344(11) . ? 
C10' H10' 0.9300 . ? 
C11' C12' 1.405(12) . ? 
C11' H11' 0.9300 . ? 
C12' C13' 1.416(12) . ? 
C12' C17' 1.437(10) . ? 
C13' C14' 1.357(14) . ? 
C13' H13' 0.9300 . ? 
C14' C15' 1.374(13) . ? 
C14' H14' 0.9300 . ? 
C15' C16' 1.350(11) . ? 
C15' H15' 0.9300 . ? 
C16' C17' 1.415(11) . ? 
C16' H16' 0.9300 . ? 
C17' C18' 1.423(10) . ? 
C18' C19' 1.496(9) . ? 
C19' C28' 1.382(10) . ? 
C19' C20' 1.455(10) . ? 
C20' C25' 1.408(10) . ? 
C20' C21' 1.412(10) . ? 
C21' C22' 1.340(10) . ? 
C21' H21' 0.9300 . ? 
C22' C23' 1.398(12) . ? 
C22' H22' 0.9300 . ? 
C23' C24' 1.365(12) . ? 
C23' H23' 0.9300 . ? 
C24' C25' 1.422(11) . ? 
C24' H24' 0.9300 . ? 
C25' C26' 1.410(11) . ? 
C26' C27' 1.332(10) . ? 
C26' H26' 0.9300 . ? 
C27' C28' 1.418(9) . ? 
C27' H27' 0.9300 . ? 
C28' C29' 1.486(9) . ? 
C29' C34' 1.393(9) . ? 
C29' C30' 1.394(10) . ? 
C30' C31' 1.373(11) . ? 
C30' H30' 0.9300 . ? 
C31' C32' 1.382(12) . ? 
C31' C35' 1.503(10) . ? 
C32' C33' 1.352(11) . ? 
C32' H32' 0.9300 . ? 
C33' C34' 1.364(10) . ? 
C33' C36' 1.533(11) . ? 
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 175.1(3) . . ? 
C1' Au1' I1' 173.0(2) . . ? 
C1 N1 C3 109.2(9) . . ? 
C1 N1 C8 123.6(10) . . ? 
C3 N1 C8 127.1(10) . . ? 
C1 N2 C2 111.8(9) . . ? 
C1 N2 C9 125.7(7) . . ? 
C2 N2 C9 122.3(9) . . ? 
C1' N1' C3' 110.6(8) . . ? 
C1' N1' C8' 125.3(10) . . ? 
C3' N1' C8' 123.6(9) . . ? 
C1' N2' C2' 111.1(8) . . ? 
C1' N2' C9' 129.1(7) . . ? 
C2' N2' C9' 119.6(7) . . ? 
N2 C1 N1 105.8(9) . . ? 
N2 C1 Au1 128.6(7) . . ? 
N1 C1 Au1 125.1(8) . . ? 
C3 C2 C7 123.6(10) . . ? 
C3 C2 N2 103.6(10) . . ? 
C7 C2 N2 132.8(12) . . ? 
C2 C3 N1 109.4(9) . . ? 
C2 C3 C4 120.9(12) . . ? 
N1 C3 C4 129.6(13) . . ? 
C5 C4 C3 111.1(13) . . ? 
C5 C4 H4 124.4 . . ? 
C3 C4 H4 124.4 . . ? 
C4 C5 C6 130.9(14) . . ? 
C4 C5 H5 114.5 . . ? 
C6 C5 H5 114.5 . . ? 
C5 C6 C7 115.6(13) . . ? 
C5 C6 H6 122.2 . . ? 
C7 C6 H6 122.2 . . ? 
C2 C7 C6 117.7(13) . . ? 
C2 C7 H7 121.2 . . ? 
C6 C7 H7 121.2 . . ? 
N1 C8 H8A 109.5 . . ? 
N1 C8 H8B 109.5 . . ? 
H8A C8 H8B 109.5 . . ? 
N1 C8 H8C 109.5 . . ? 
H8A C8 H8C 109.5 . . ? 
H8B C8 H8C 109.5 . . ? 
C18 C9 C10 119.8(8) . . ? 
C18 C9 N2 122.4(7) . . ? 
C10 C9 N2 117.5(8) . . ? 
C11 C10 C9 121.4(8) . . ? 
C11 C10 H10 119.3 . . ? 
C9 C10 H10 119.3 . . ? 
C10 C11 C12 121.5(8) . . ? 
C10 C11 H11 119.2 . . ? 
C12 C11 H11 119.2 . . ? 
C13 C12 C11 124.3(9) . . ? 
C13 C12 C17 117.9(8) . . ? 
C11 C12 C17 117.8(8) . . ? 
C14 C13 C12 124.6(9) . . ? 
C14 C13 H13 117.7 . . ? 
C12 C13 H13 117.7 . . ? 
C13 C14 C15 117.5(10) . . ? 
C13 C14 H14 121.2 . . ? 
C15 C14 H14 121.2 . . ? 
C16 C15 C14 121.5(9) . . ? 
C16 C15 H15 119.2 . . ? 
C14 C15 H15 119.2 . . ? 
C15 C16 C17 120.6(8) . . ? 
C15 C16 H16 119.7 . . ? 
C17 C16 H16 119.7 . . ? 
C16 C17 C18 121.8(7) . . ? 
C16 C17 C12 117.8(8) . . ? 
C18 C17 C12 120.3(7) . . ? 
C9 C18 C17 119.0(7) . . ? 
C9 C18 C19 119.9(7) . . ? 
C17 C18 C19 121.1(6) . . ? 
C28 C19 C20 119.9(7) . . ? 
C28 C19 C18 122.1(6) . . ? 
C20 C19 C18 118.0(6) . . ? 
C19 C20 C21 123.6(7) . . ? 
C19 C20 C25 119.6(7) . . ? 
C21 C20 C25 116.8(7) . . ? 
C22 C21 C20 121.8(9) . . ? 
C22 C21 H21 119.1 . . ? 
C20 C21 H21 119.1 . . ? 
C21 C22 C23 121.0(9) . . ? 
C21 C22 H22 119.5 . . ? 
C23 C22 H22 119.5 . . ? 
C24 C23 C22 119.2(9) . . ? 
C24 C23 H23 120.4 . . ? 
C22 C23 H23 120.4 . . ? 
C23 C24 C25 122.3(9) . . ? 
C23 C24 H24 118.9 . . ? 
C25 C24 H24 118.9 . . ? 
C26 C25 C24 122.4(8) . . ? 
C26 C25 C20 118.8(7) . . ? 
C24 C25 C20 118.8(8) . . ? 
C27 C26 C25 120.4(7) . . ? 
C27 C26 H26 119.8 . . ? 
C25 C26 H26 119.8 . . ? 
C26 C27 C28 122.0(8) . . ? 
C26 C27 H27 119.0 . . ? 
C28 C27 H27 119.0 . . ? 
C19 C28 C27 119.1(7) . . ? 
C19 C28 C29 125.0(7) . . ? 
C27 C28 C29 115.9(7) . . ? 
C34 C29 C30 119.2(7) . . ? 
C34 C29 C28 120.0(7) . . ? 
C30 C29 C28 120.7(7) . . ? 
C29 C30 C31 120.1(7) . . ? 
C29 C30 H30 119.9 . . ? 
C31 C30 H30 119.9 . . ? 
C32 C31 C30 120.8(8) . . ? 
C32 C31 C35 120.5(8) . . ? 
C30 C31 C35 118.7(8) . . ? 
C31 C32 C33 119.6(8) . . ? 
C31 C32 H32 120.2 . . ? 
C33 C32 H32 120.2 . . ? 
C32 C33 C34 121.3(8) . . ? 
C32 C33 C36 121.1(8) . . ? 
C34 C33 C36 117.6(8) . . ? 
C29 C34 C33 118.9(8) . . ? 
C29 C34 H34 120.6 . . ? 
C33 C34 H34 120.6 . . ? 
F3 C35 F1' 116.3(17) . . ? 
F3 C35 F2' 73.1(12) . . ? 
F1' C35 F2' 107.4(15) . . ? 
F3 C35 F1 107.0(13) . . ? 
F1' C35 F1 27.8(11) . . ? 
F2' C35 F1 132.0(12) . . ? 
F3 C35 F2 106.0(14) . . ? 
F1' C35 F2 71.4(13) . . ? 
F2' C35 F2 40.9(8) . . ? 
F1 C35 F2 99.2(12) . . ? 
F3 C35 F3' 28.5(10) . . ? 
F1' C35 F3' 112.1(15) . . ? 
F2' C35 F3' 101.1(12) . . ? 
F1 C35 F3' 91.6(11) . . ? 
F2 C35 F3' 133.2(12) . . ? 
F3 C35 C31 120.1(13) . . ? 
F1' C35 C31 118.3(13) . . ? 
F2' C35 C31 110.8(9) . . ? 
F1 C35 C31 109.6(9) . . ? 
F2 C35 C31 112.8(9) . . ? 
F3' C35 C31 105.7(10) . . ? 
F6' C36 F5 122.8(16) . . ? 
F6' C36 F5' 107.5(16) . . ? 
F5 C36 F5' 30.2(11) . . ? 
F6' C36 F4 66.6(13) . . ? 
F5 C36 F4 108.0(15) . . ? 
F5' C36 F4 129.4(14) . . ? 
F6' C36 F4' 104.9(16) . . ? 
F5 C36 F4' 75.5(13) . . ? 
F5' C36 F4' 104.8(14) . . ? 
F4 C36 F4' 40.9(10) . . ? 
F6' C36 F6 35.4(11) . . ? 
F5 C36 F6 107.2(14) . . ? 
F5' C36 F6 81.1(12) . . ? 
F4 C36 F6 101.5(14) . . ? 
F4' C36 F6 135.7(15) . . ? 
F6' C36 C33 119.3(12) . . ? 
F5 C36 C33 114.5(13) . . ? 
F5' C36 C33 112.1(12) . . ? 
F4 C36 C33 113.6(10) . . ? 
F4' C36 C33 107.1(11) . . ? 
F6 C36 C33 111.1(11) . . ? 
N2' C1' N1' 106.2(8) . . ? 
N2' C1' Au1' 131.3(6) . . ? 
N1' C1' Au1' 122.5(7) . . ? 
C7' C2' C3' 122.9(10) . . ? 
C7' C2' N2' 132.8(10) . . ? 
C3' C2' N2' 104.3(9) . . ? 
N1' C3' C2' 107.8(8) . . ? 
N1' C3' C4' 133.9(12) . . ? 
C2' C3' C4' 118.3(12) . . ? 
C5' C4' C3' 118.1(13) . . ? 
C5' C4' H4' 120.9 . . ? 
C3' C4' H4' 120.9 . . ? 
C4' C5' C6' 122.0(12) . . ? 
C4' C5' H5' 119.0 . . ? 
C6' C5' H5' 119.0 . . ? 
C5' C6' C7' 122.8(13) . . ? 
C5' C6' H6' 118.6 . . ? 
C7' C6' H6' 118.6 . . ? 
C6' C7' C2' 115.9(12) . . ? 
C6' C7' H7' 122.1 . . ? 
C2' C7' H7' 122.1 . . ? 
N1' C8' H8'1 109.5 . . ? 
N1' C8' H8'2 109.5 . . ? 
H8'1 C8' H8'2 109.5 . . ? 
N1' C8' H8'3 109.5 . . ? 
H8'1 C8' H8'3 109.5 . . ? 
H8'2 C8' H8'3 109.5 . . ? 
C18' C9' C10' 121.9(8) . . ? 
C18' C9' N2' 122.8(7) . . ? 
C10' C9' N2' 115.2(7) . . ? 
C11' C10' C9' 119.4(8) . . ? 
C11' C10' H10' 120.3 . . ? 
C9' C10' H10' 120.3 . . ? 
C10' C11' C12' 121.5(8) . . ? 
C10' C11' H11' 119.2 . . ? 
C12' C11' H11' 119.2 . . ? 
C11' C12' C13' 123.5(8) . . ? 
C11' C12' C17' 118.6(8) . . ? 
C13' C12' C17' 117.9(8) . . ? 
C14' C13' C12' 121.8(9) . . ? 
C14' C13' H13' 119.1 . . ? 
C12' C13' H13' 119.1 . . ? 
C13' C14' C15' 120.3(9) . . ? 
C13' C14' H14' 119.9 . . ? 
C15' C14' H14' 119.9 . . ? 
C16' C15' C14' 120.6(9) . . ? 
C16' C15' H15' 119.7 . . ? 
C14' C15' H15' 119.7 . . ? 
C15' C16' C17' 122.3(8) . . ? 
C15' C16' H16' 118.8 . . ? 
C17' C16' H16' 118.8 . . ? 
C16' C17' C18' 123.3(7) . . ? 
C16' C17' C12' 117.2(7) . . ? 
C18' C17' C12' 119.4(7) . . ? 
C9' C18' C17' 119.1(7) . . ? 
C9' C18' C19' 123.6(7) . . ? 
C17' C18' C19' 117.3(7) . . ? 
C28' C19' C20' 119.3(6) . . ? 
C28' C19' C18' 123.8(7) . . ? 
C20' C19' C18' 116.8(6) . . ? 
C25' C20' C21' 119.0(7) . . ? 
C25' C20' C19' 118.8(7) . . ? 
C21' C20' C19' 122.2(7) . . ? 
C22' C21' C20' 121.1(7) . . ? 
C22' C21' H21' 119.5 . . ? 
C20' C21' H21' 119.5 . . ? 
C21' C22' C23' 121.0(8) . . ? 
C21' C22' H22' 119.5 . . ? 
C23' C22' H22' 119.5 . . ? 
C24' C23' C22' 119.8(8) . . ? 
C24' C23' H23' 120.1 . . ? 
C22' C23' H23' 120.1 . . ? 
C23' C24' C25' 120.8(8) . . ? 
C23' C24' H24' 119.6 . . ? 
C25' C24' H24' 119.6 . . ? 
C20' C25' C26' 119.2(7) . . ? 
C20' C25' C24' 118.3(8) . . ? 
C26' C25' C24' 122.5(7) . . ? 
C27' C26' C25' 121.6(7) . . ? 
C27' C26' H26' 119.2 . . ? 
C25' C26' H26' 119.2 . . ? 
C26' C27' C28' 121.4(7) . . ? 
C26' C27' H27' 119.3 . . ? 
C28' C27' H27' 119.3 . . ? 
C19' C28' C27' 119.7(7) . . ? 
C19' C28' C29' 123.0(6) . . ? 
C27' C28' C29' 117.3(6) . . ? 
C34' C29' C30' 116.5(7) . . ? 
C34' C29' C28' 123.9(6) . . ? 
C30' C29' C28' 119.4(6) . . ? 
C31' C30' C29' 121.3(7) . . ? 
C31' C30' H30' 119.3 . . ? 
C29' C30' H30' 119.3 . . ? 
C30' C31' C32' 121.1(7) . . ? 
C30' C31' C35' 119.2(8) . . ? 
C32' C31' C35' 119.7(8) . . ? 
C33' C32' C31' 117.4(8) . . ? 
C33' C32' H32' 121.3 . . ? 
C31' C32' H32' 121.3 . . ? 
C32' C33' C34' 122.9(8) . . ? 
C32' C33' C36' 118.6(8) . . ? 
C34' C33' C36' 118.5(7) . . ? 
C33' C34' C29' 120.8(7) . . ? 
C33' C34' H34' 119.6 . . ? 
C29' C34' H34' 119.6 . . ? 
F9' C35' F8 66.9(12) . . ? 
F9' C35' F7' 106.6(14) . . ? 
F8 C35' F7' 130.7(12) . . ? 
F9' C35' F7 127.3(13) . . ? 
F8 C35' F7 106.1(13) . . ? 
F7' C35' F7 36.8(9) . . ? 
F9' C35' F8' 104.6(15) . . ? 
F8 C35' F8' 43.3(9) . . ? 
F7' C35' F8' 100.6(13) . . ? 
F7 C35' F8' 66.5(12) . . ? 
F9' C35' F9 35.7(10) . . ? 
F8 C35' F9 102.2(11) . . ? 
F7' C35' F9 79.6(11) . . ? 
F7 C35' F9 112.9(13) . . ? 
F8' C35' F9 133.3(12) . . ? 
F9' C35' C31' 116.9(12) . . ? 
F8 C35' C31' 111.0(9) . . ? 
F7' C35' C31' 114.5(9) . . ? 
F7 C35' C31' 114.1(10) . . ? 
F8' C35' C31' 112.0(10) . . ? 
F9 C35' C31' 109.9(9) . . ? 
F10 C36' F12' 125.2(14) . . ? 
F10 C36' F11' 59.7(11) . . ? 
F12' C36' F11' 113.7(14) . . ? 
F10 C36' F12 108.7(15) . . ? 
F12' C36' F12 36.4(9) . . ? 
F11' C36' F12 138.5(13) . . ? 
F10 C36' F10' 43.4(10) . . ? 
F12' C36' F10' 104.7(14) . . ? 
F11' C36' F10' 102.8(13) . . ? 
F12 C36' F10' 73.0(12) . . ? 
F10 C36' F11 107.4(15) . . ? 
F12' C36' F11 69.8(12) . . ? 
F11' C36' F11 52.2(10) . . ? 
F12 C36' F11 105.7(14) . . ? 
F10' C36' F11 141.8(13) . . ? 
F10 C36' C33' 115.9(11) . . ? 
F12' C36' C33' 116.1(10) . . ? 
F11' C36' C33' 111.4(10) . . ? 
F12 C36' C33' 109.2(11) . . ? 
F10' C36' C33' 106.7(11) . . ? 
F11 C36' C33' 109.4(10) . . ? 
  
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 
C2 N2 C1 N1 3.9(9) . . . . ? 
C9 N2 C1 N1 178.7(7) . . . . ? 
C2 N2 C1 Au1 -168.0(6) . . . . ? 
C9 N2 C1 Au1 6.8(12) . . . . ? 
C3 N1 C1 N2 -2.0(9) . . . . ? 
C8 N1 C1 N2 -178.4(8) . . . . ? 
C3 N1 C1 Au1 170.3(6) . . . . ? 
C8 N1 C1 Au1 -6.1(12) . . . . ? 
I1 Au1 C1 N2 130(3) . . . . ? 
I1 Au1 C1 N1 -40(4) . . . . ? 
C1 N2 C2 C3 -4.3(9) . . . . ? 
C9 N2 C2 C3 -179.2(7) . . . . ? 
C1 N2 C2 C7 178.1(9) . . . . ? 
C9 N2 C2 C7 3.1(14) . . . . ? 
C7 C2 C3 N1 -179.2(8) . . . . ? 
N2 C2 C3 N1 2.9(9) . . . . ? 
C7 C2 C3 C4 -1.7(14) . . . . ? 
N2 C2 C3 C4 -179.7(8) . . . . ? 
C1 N1 C3 C2 -0.7(10) . . . . ? 
C8 N1 C3 C2 175.6(9) . . . . ? 
C1 N1 C3 C4 -177.8(9) . . . . ? 
C8 N1 C3 C4 -1.5(16) . . . . ? 
C2 C3 C4 C5 -1.0(14) . . . . ? 
N1 C3 C4 C5 175.8(10) . . . . ? 
C3 C4 C5 C6 1.4(19) . . . . ? 
C4 C5 C6 C7 1(2) . . . . ? 
C3 C2 C7 C6 4.2(15) . . . . ? 
N2 C2 C7 C6 -178.5(9) . . . . ? 
C5 C6 C7 C2 -3.6(15) . . . . ? 
C1 N2 C9 C18 76.8(10) . . . . ? 
C2 N2 C9 C18 -108.9(9) . . . . ? 
C1 N2 C9 C10 -110.0(9) . . . . ? 
C2 N2 C9 C10 64.3(10) . . . . ? 
C18 C9 C10 C11 3.0(13) . . . . ? 
N2 C9 C10 C11 -170.4(9) . . . . ? 
C9 C10 C11 C12 -3.2(15) . . . . ? 
C10 C11 C12 C13 177.9(9) . . . . ? 
C10 C11 C12 C17 0.2(14) . . . . ? 
C11 C12 C13 C14 -175.1(10) . . . . ? 
C17 C12 C13 C14 2.6(15) . . . . ? 
C12 C13 C14 C15 -4.7(16) . . . . ? 
C13 C14 C15 C16 4.1(15) . . . . ? 
C14 C15 C16 C17 -1.4(13) . . . . ? 
C15 C16 C17 C18 174.4(8) . . . . ? 
C15 C16 C17 C12 -0.7(12) . . . . ? 
C13 C12 C17 C16 0.3(12) . . . . ? 
C11 C12 C17 C16 178.2(8) . . . . ? 
C13 C12 C17 C18 -174.9(7) . . . . ? 
C11 C12 C17 C18 2.9(12) . . . . ? 
C10 C9 C18 C17 0.2(11) . . . . ? 
N2 C9 C18 C17 173.3(7) . . . . ? 
C10 C9 C18 C19 -178.0(7) . . . . ? 
N2 C9 C18 C19 -4.9(11) . . . . ? 
C16 C17 C18 C9 -178.2(7) . . . . ? 
C12 C17 C18 C9 -3.1(11) . . . . ? 
C16 C17 C18 C19 0.0(11) . . . . ? 
C12 C17 C18 C19 175.1(7) . . . . ? 
C9 C18 C19 C28 75.5(9) . . . . ? 
C17 C18 C19 C28 -102.7(8) . . . . ? 
C9 C18 C19 C20 -105.0(8) . . . . ? 
C17 C18 C19 C20 76.9(8) . . . . ? 
C28 C19 C20 C21 177.1(7) . . . . ? 
C18 C19 C20 C21 -2.4(10) . . . . ? 
C28 C19 C20 C25 -3.5(10) . . . . ? 
C18 C19 C20 C25 176.9(6) . . . . ? 
C19 C20 C21 C22 179.1(7) . . . . ? 
C25 C20 C21 C22 -0.2(11) . . . . ? 
C20 C21 C22 C23 1.1(13) . . . . ? 
C21 C22 C23 C24 -0.4(14) . . . . ? 
C22 C23 C24 C25 -1.1(14) . . . . ? 
C23 C24 C25 C26 -179.0(8) . . . . ? 
C23 C24 C25 C20 2.0(12) . . . . ? 
C19 C20 C25 C26 0.3(11) . . . . ? 
C21 C20 C25 C26 179.7(7) . . . . ? 
C19 C20 C25 C24 179.4(7) . . . . ? 
C21 C20 C25 C24 -1.3(10) . . . . ? 
C24 C25 C26 C27 -177.0(8) . . . . ? 
C20 C25 C26 C27 2.0(12) . . . . ? 
C25 C26 C27 C28 -1.2(12) . . . . ? 
C20 C19 C28 C27 4.4(10) . . . . ? 
C18 C19 C28 C27 -176.1(7) . . . . ? 
C20 C19 C28 C29 -174.5(7) . . . . ? 
C18 C19 C28 C29 5.0(11) . . . . ? 
C26 C27 C28 C19 -2.1(11) . . . . ? 
C26 C27 C28 C29 176.9(7) . . . . ? 
C19 C28 C29 C34 41.5(11) . . . . ? 
C27 C28 C29 C34 -137.4(7) . . . . ? 
C19 C28 C29 C30 -142.3(7) . . . . ? 
C27 C28 C29 C30 38.8(10) . . . . ? 
C34 C29 C30 C31 1.5(11) . . . . ? 
C28 C29 C30 C31 -174.7(7) . . . . ? 
C29 C30 C31 C32 -1.8(12) . . . . ? 
C29 C30 C31 C35 177.8(7) . . . . ? 
C30 C31 C32 C33 -0.3(13) . . . . ? 
C35 C31 C32 C33 180.0(8) . . . . ? 
C31 C32 C33 C34 2.9(13) . . . . ? 
C31 C32 C33 C36 -178.6(9) . . . . ? 
C30 C29 C34 C33 1.0(11) . . . . ? 
C28 C29 C34 C33 177.2(7) . . . . ? 
C32 C33 C34 C29 -3.2(12) . . . . ? 
C36 C33 C34 C29 178.3(8) . . . . ? 
C32 C31 C35 F3 -0.7(18) . . . . ? 
C30 C31 C35 F3 179.6(14) . . . . ? 
C32 C31 C35 F1' 152.8(15) . . . . ? 
C30 C31 C35 F1' -26.9(18) . . . . ? 
C32 C31 C35 F2' -82.7(13) . . . . ? 
C30 C31 C35 F2' 97.7(12) . . . . ? 
C32 C31 C35 F1 123.7(10) . . . . ? 
C30 C31 C35 F1 -56.0(12) . . . . ? 
C32 C31 C35 F2 -126.8(12) . . . . ? 
C30 C31 C35 F2 53.5(14) . . . . ? 
C32 C31 C35 F3' 26.1(13) . . . . ? 
C30 C31 C35 F3' -153.5(10) . . . . ? 
C32 C33 C36 F6' -169.7(16) . . . . ? 
C34 C33 C36 F6' 9(2) . . . . ? 
C32 C33 C36 F5 -9.9(18) . . . . ? 
C34 C33 C36 F5 168.6(14) . . . . ? 
C32 C33 C36 F5' -42.8(16) . . . . ? 
C34 C33 C36 F5' 135.7(13) . . . . ? 
C32 C33 C36 F4 114.8(14) . . . . ? 
C34 C33 C36 F4 -66.7(16) . . . . ? 
C32 C33 C36 F4' 71.6(15) . . . . ? 
C34 C33 C36 F4' -109.9(14) . . . . ? 
C32 C33 C36 F6 -131.5(12) . . . . ? 
C34 C33 C36 F6 47.0(14) . . . . ? 
C2' N2' C1' N1' 1.4(9) . . . . ? 
C9' N2' C1' N1' 175.6(7) . . . . ? 
C2' N2' C1' Au1' -176.5(6) . . . . ? 
C9' N2' C1' Au1' -2.3(12) . . . . ? 
C3' N1' C1' N2' -1.1(9) . . . . ? 
C8' N1' C1' N2' -173.3(7) . . . . ? 
C3' N1' C1' Au1' 177.0(6) . . . . ? 
C8' N1' C1' Au1' 4.8(11) . . . . ? 
I1' Au1' C1' N2' 177.9(12) . . . . ? 
I1' Au1' C1' N1' 0(2) . . . . ? 
C1' N2' C2' C7' 176.9(9) . . . . ? 
C9' N2' C2' C7' 2.1(14) . . . . ? 
C1' N2' C2' C3' -1.2(9) . . . . ? 
C9' N2' C2' C3' -176.0(7) . . . . ? 
C1' N1' C3' C2' 0.4(10) . . . . ? 
C8' N1' C3' C2' 172.7(7) . . . . ? 
C1' N1' C3' C4' 178.6(10) . . . . ? 
C8' N1' C3' C4' -9.0(16) . . . . ? 
C7' C2' C3' N1' -177.9(8) . . . . ? 
N2' C2' C3' N1' 0.5(9) . . . . ? 
C7' C2' C3' C4' 3.6(14) . . . . ? 
N2' C2' C3' C4' -178.1(8) . . . . ? 
N1' C3' C4' C5' 178.4(11) . . . . ? 
C2' C3' C4' C5' -3.5(15) . . . . ? 
C3' C4' C5' C6' 2.0(18) . . . . ? 
C4' C5' C6' C7' 0(2) . . . . ? 
C5' C6' C7' C2' 0.2(16) . . . . ? 
C3' C2' C7' C6' -1.9(14) . . . . ? 
N2' C2' C7' C6' -179.7(9) . . . . ? 
C1' N2' C9' C18' 73.3(11) . . . . ? 
C2' N2' C9' C18' -113.0(8) . . . . ? 
C1' N2' C9' C10' -108.8(9) . . . . ? 
C2' N2' C9' C10' 64.9(9) . . . . ? 
C18' C9' C10' C11' 2.0(12) . . . . ? 
N2' C9' C10' C11' -176.0(7) . . . . ? 
C9' C10' C11' C12' 0.6(13) . . . . ? 
C10' C11' C12' C13' 177.2(8) . . . . ? 
C10' C11' C12' C17' -2.9(12) . . . . ? 
C11' C12' C13' C14' -179.2(9) . . . . ? 
C17' C12' C13' C14' 0.8(13) . . . . ? 
C12' C13' C14' C15' 0.4(14) . . . . ? 
C13' C14' C15' C16' -0.6(14) . . . . ? 
C14' C15' C16' C17' -0.5(13) . . . . ? 
C15' C16' C17' C18' 177.1(7) . . . . ? 
C15' C16' C17' C12' 1.7(11) . . . . ? 
C11' C12' C17' C16' 178.2(7) . . . . ? 
C13' C12' C17' C16' -1.8(10) . . . . ? 
C11' C12' C17' C18' 2.7(11) . . . . ? 
C13' C12' C17' C18' -177.4(7) . . . . ? 
C10' C9' C18' C17' -2.1(11) . . . . ? 
N2' C9' C18' C17' 175.7(6) . . . . ? 
C10' C9' C18' C19' 174.7(7) . . . . ? 
N2' C9' C18' C19' -7.6(11) . . . . ? 
C16' C17' C18' C9' -175.5(7) . . . . ? 
C12' C17' C18' C9' -0.2(10) . . . . ? 
C16' C17' C18' C19' 7.5(11) . . . . ? 
C12' C17' C18' C19' -177.2(6) . . . . ? 
C9' C18' C19' C28' 77.0(10) . . . . ? 
C17' C18' C19' C28' -106.2(8) . . . . ? 
C9' C18' C19' C20' -106.4(8) . . . . ? 
C17' C18' C19' C20' 70.4(9) . . . . ? 
C28' C19' C20' C25' 1.6(10) . . . . ? 
C18' C19' C20' C25' -175.2(6) . . . . ? 
C28' C19' C20' C21' 179.1(7) . . . . ? 
C18' C19' C20' C21' 2.3(10) . . . . ? 
C25' C20' C21' C22' 0.3(11) . . . . ? 
C19' C20' C21' C22' -177.2(7) . . . . ? 
C20' C21' C22' C23' -2.2(12) . . . . ? 
C21' C22' C23' C24' 2.5(14) . . . . ? 
C22' C23' C24' C25' -0.9(14) . . . . ? 
C21' C20' C25' C26' 179.5(7) . . . . ? 
C19' C20' C25' C26' -3.0(10) . . . . ? 
C21' C20' C25' C24' 1.3(11) . . . . ? 
C19' C20' C25' C24' 178.8(7) . . . . ? 
C23' C24' C25' C20' -1.0(12) . . . . ? 
C23' C24' C25' C26' -179.1(8) . . . . ? 
C20' C25' C26' C27' 2.3(11) . . . . ? 
C24' C25' C26' C27' -179.6(7) . . . . ? 
C25' C26' C27' C28' 0.0(11) . . . . ? 
C20' C19' C28' C27' 0.6(10) . . . . ? 
C18' C19' C28' C27' 177.1(7) . . . . ? 
C20' C19' C28' C29' -176.8(6) . . . . ? 
C18' C19' C28' C29' -0.3(11) . . . . ? 
C26' C27' C28' C19' -1.4(11) . . . . ? 
C26' C27' C28' C29' 176.1(7) . . . . ? 
C19' C28' C29' C34' 46.7(11) . . . . ? 
C27' C28' C29' C34' -130.8(8) . . . . ? 
C19' C28' C29' C30' -139.3(7) . . . . ? 
C27' C28' C29' C30' 43.2(9) . . . . ? 
C34' C29' C30' C31' -2.5(11) . . . . ? 
C28' C29' C30' C31' -176.9(7) . . . . ? 
C29' C30' C31' C32' 1.6(13) . . . . ? 
C29' C30' C31' C35' -179.5(8) . . . . ? 
C30' C31' C32' C33' 0.0(13) . . . . ? 
C35' C31' C32' C33' -178.9(8) . . . . ? 
C31' C32' C33' C34' -0.6(14) . . . . ? 
C31' C32' C33' C36' 179.7(9) . . . . ? 
C32' C33' C34' C29' -0.4(14) . . . . ? 
C36' C33' C34' C29' 179.2(8) . . . . ? 
C30' C29' C34' C33' 1.9(11) . . . . ? 
C28' C29' C34' C33' 176.1(7) . . . . ? 
C30' C31' C35' F9' -155.1(15) . . . . ? 
C32' C31' C35' F9' 23.8(18) . . . . ? 
C30' C31' C35' F8 130.9(12) . . . . ? 
C32' C31' C35' F8 -50.1(15) . . . . ? 
C30' C31' C35' F7' -29.4(15) . . . . ? 
C32' C31' C35' F7' 149.5(12) . . . . ? 
C30' C31' C35' F7 11.1(17) . . . . ? 
C32' C31' C35' F7 -170.0(14) . . . . ? 
C30' C31' C35' F8' 84.3(15) . . . . ? 
C32' C31' C35' F8' -96.8(15) . . . . ? 
C30' C31' C35' F9 -116.8(11) . . . . ? 
C32' C31' C35' F9 62.1(13) . . . . ? 
C32' C33' C36' F10 13.4(19) . . . . ? 
C34' C33' C36' F10 -166.3(15) . . . . ? 
C32' C33' C36' F12' 175.4(14) . . . . ? 
C34' C33' C36' F12' -4.3(18) . . . . ? 
C32' C33' C36' F11' -52.3(16) . . . . ? 
C34' C33' C36' F11' 128.0(14) . . . . ? 
C32' C33' C36' F12 136.5(13) . . . . ? 
C34' C33' C36' F12 -43.2(16) . . . . ? 
C32' C33' C36' F10' 59.2(15) . . . . ? 
C34' C33' C36' F10' -120.5(13) . . . . ? 
C32' C33' C36' F11 -108.2(14) . . . . ? 
C34' C33' C36' F11 72.1(15) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              26.00 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.840 
_refine_diff_density_min   -0.619 
_refine_diff_density_rms    0.103 
