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#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
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#  fide research purposes only. It may contain copyright material 
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#  except for the purpose of generating routine backup copies 
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data_ortho
_database_code_depnum_ccdc_archive 'CCDC 270181'

_audit_creation_method SHELXL-97
_chemical_name_systematic
;
?
;
_chemical_name_common ?
_chemical_melting_point ?
_chemical_formula_moiety ?
_chemical_formula_sum 'C40 H36 Au3 F8 N3 O3'
_chemical_formula_weight 1349.62

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 7.292(2)
_cell_length_b 21.289(6)
_cell_length_c 25.589(7)
_cell_angle_alpha 90.00
_cell_angle_beta 90.00
_cell_angle_gamma 90.00
_cell_volume 3972.7(19)
_cell_formula_units_Z 4
_cell_measurement_temperature 110(2)
_cell_measurement_reflns_used ?
_cell_measurement_theta_min ?
_cell_measurement_theta_max ?

_exptl_crystal_description ?
_exptl_crystal_colour ?
_exptl_crystal_size_max 0.20
_exptl_crystal_size_mid 0.20
_exptl_crystal_size_min 0.20
_exptl_crystal_density_meas 0
_exptl_crystal_density_diffrn 2.257
_exptl_crystal_density_method 'not measured'
_exptl_crystal_F_000 2520
_exptl_absorpt_coefficient_mu 11.131
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_correction_T_min 0.93
_exptl_absorpt_correction_T_max 0.53
_exptl_absorpt_process_details sadabs

_exptl_special_details
;
?
;

_diffrn_ambient_temperature 110(2)
_diffrn_radiation_wavelength 0.71073
_diffrn_radiation_type MoK\a
_diffrn_radiation_source 'normal-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 12327
_diffrn_reflns_av_R_equivalents 0.0348
_diffrn_reflns_av_sigmaI/netI 0.0594
_diffrn_reflns_limit_h_min -8
_diffrn_reflns_limit_h_max 8
_diffrn_reflns_limit_k_min -18
_diffrn_reflns_limit_k_max 24
_diffrn_reflns_limit_l_min -30
_diffrn_reflns_limit_l_max 11
_diffrn_reflns_theta_min 1.86
_diffrn_reflns_theta_max 25.00
_reflns_number_total 6601
_reflns_number_gt 6492
_reflns_threshold_expression >2sigma(I)

_computing_data_collection 'Bruker SMART'
_computing_cell_refinement 'Bruker SMART'
_computing_data_reduction 'Bruker SAINT'
_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 F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0541P)^2^+15.3958P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary direct
_atom_sites_solution_secondary difmap
_atom_sites_solution_hydrogens geom
_refine_ls_hydrogen_treatment mixed
_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 0.000(14)
_refine_ls_number_reflns 6601
_refine_ls_number_parameters 521
_refine_ls_number_restraints 342
_refine_ls_R_factor_all 0.0386
_refine_ls_R_factor_gt 0.0380
_refine_ls_wR_factor_ref 0.0968
_refine_ls_wR_factor_gt 0.0962
_refine_ls_goodness_of_fit_ref 1.005
_refine_ls_restrained_S_all 0.993
_refine_ls_shift/su_max 0.039
_refine_ls_shift/su_mean 0.001

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 0.32332(6) 0.408923(18) 0.868946(15) 0.01403(11) Uani 1 1 d . . .
Au2 Au 0.44894(5) 0.436164(19) 0.747987(16) 0.01467(11) Uani 1 1 d . . .
Au3 Au 0.32328(6) 0.293589(19) 0.780648(15) 0.01491(11) Uani 1 1 d . . .
F1 F 0.7991(10) 0.2526(3) 0.7660(3) 0.0328(16) Uani 1 1 d U . .
F2 F 0.7021(10) 0.2147(3) 0.8618(3) 0.0345(16) Uani 1 1 d U . .
F3 F 0.6981(10) 0.2950(3) 0.9426(3) 0.0312(16) Uani 1 1 d U . .
F4 F 0.7872(9) 0.4161(3) 0.9304(2) 0.0228(14) Uani 1 1 d U . .
F5 F 0.8969(9) 0.5044(3) 0.8691(3) 0.0300(16) Uani 1 1 d U . .
F6 F 1.0096(10) 0.5430(3) 0.7751(3) 0.0336(17) Uani 1 1 d U . .
F7 F 1.0106(10) 0.4629(4) 0.6936(3) 0.0329(17) Uani 1 1 d U . .
F8 F 0.9085(11) 0.3422(4) 0.7055(3) 0.0370(18) Uani 1 1 d U . .
O1 O 0.5359(11) 0.5624(4) 0.7888(3) 0.0231(14) Uani 1 1 d U . .
O2 O 0.3409(12) 0.2717(4) 0.6660(3) 0.0230(15) Uani 1 1 d U . .
O3 O 0.1912(11) 0.3079(4) 0.9383(3) 0.0226(14) Uani 1 1 d U . .
N1 N 0.4001(12) 0.4981(5) 0.8472(4) 0.0185(16) Uani 1 1 d U . .
N2 N 0.4301(12) 0.3677(4) 0.6916(3) 0.0158(15) Uani 1 1 d U . .
N3 N 0.2697(11) 0.2737(4) 0.8579(3) 0.0158(15) Uani 1 1 d U . .
C1 C 0.3928(15) 0.5502(5) 0.8862(4) 0.0194(15) Uani 1 1 d U . .
C2 C 0.4613(16) 0.5395(5) 0.9346(4) 0.0209(17) Uani 1 1 d U . .
H2 H 0.5165 0.5003 0.9429 0.025 Uiso 1 1 calc R . .
C3 C 0.4492(16) 0.5875(5) 0.9728(4) 0.0208(17) Uani 1 1 d U . .
H3 H 0.4995 0.5801 1.0065 0.025 Uiso 1 1 calc R . .
C4 C 0.3680(15) 0.6440(5) 0.9630(5) 0.0203(17) Uani 1 1 d U . .
C5 C 0.2990(16) 0.6530(5) 0.9108(4) 0.0214(17) Uani 1 1 d U . .
H5 H 0.2437 0.6920 0.9021 0.026 Uiso 1 1 calc R . .
C6 C 0.3101(16) 0.6076(5) 0.8734(4) 0.0196(17) Uani 1 1 d U . .
H6 H 0.2627 0.6147 0.8394 0.024 Uiso 1 1 calc R . .
C7 C 0.3514(19) 0.6939(6) 1.0022(5) 0.029(3) Uani 1 1 d U . .
H7A H 0.3722 0.6763 1.0371 0.043 Uiso 1 1 calc R . .
H7B H 0.2282 0.7122 1.0005 0.043 Uiso 1 1 calc R . .
H7C H 0.4428 0.7266 0.9952 0.043 Uiso 1 1 calc R . .
C8 C 0.4559(16) 0.5002(6) 0.8011(4) 0.0212(17) Uani 1 1 d U . .
C9 C 0.5902(16) 0.5752(6) 0.7358(5) 0.026(2) Uani 1 1 d U . .
H9A H 0.6382 0.5363 0.7196 0.031 Uiso 1 1 calc R . .
H9B H 0.6897 0.6069 0.7357 0.031 Uiso 1 1 calc R . .
C10 C 0.4317(18) 0.5992(6) 0.7042(5) 0.032(3) Uani 1 1 d U . .
H10A H 0.3769 0.6354 0.7220 0.048 Uiso 1 1 calc R . .
H10B H 0.3396 0.5659 0.7006 0.048 Uiso 1 1 calc R . .
H10C H 0.4748 0.6119 0.6695 0.048 Uiso 1 1 calc R . .
C11 C 0.4612(16) 0.3851(5) 0.6383(4) 0.0190(15) Uani 1 1 d U . .
C12 C 0.3734(15) 0.4384(6) 0.6180(4) 0.0221(18) Uani 1 1 d U . .
H12 H 0.2920 0.4620 0.6393 0.026 Uiso 1 1 calc R . .
C13 C 0.4050(16) 0.4565(6) 0.5674(4) 0.0218(18) Uani 1 1 d U . .
H13 H 0.3479 0.4937 0.5550 0.026 Uiso 1 1 calc R . .
C14 C 0.5174(15) 0.4227(6) 0.5331(4) 0.0213(17) Uani 1 1 d U . .
C15 C 0.6113(16) 0.3702(6) 0.5547(4) 0.0236(18) Uani 1 1 d U . .
H15 H 0.6958 0.3478 0.5335 0.028 Uiso 1 1 calc R . .
C16 C 0.5829(16) 0.3506(6) 0.6061(4) 0.0216(18) Uani 1 1 d U . .
H16 H 0.6444 0.3147 0.6194 0.026 Uiso 1 1 calc R . .
C17 C 0.5510(16) 0.4437(6) 0.4784(4) 0.023(2) Uani 1 1 d U . .
H17A H 0.6055 0.4092 0.4583 0.034 Uiso 1 1 calc R . .
H17B H 0.6350 0.4796 0.4786 0.034 Uiso 1 1 calc R . .
H17C H 0.4345 0.4561 0.4623 0.034 Uiso 1 1 calc R . .
C18 C 0.3682(15) 0.3116(5) 0.7060(4) 0.0180(17) Uani 1 1 d U . .
C19 C 0.2805(19) 0.2077(6) 0.6798(5) 0.029(2) Uani 1 1 d U . .
H19A H 0.1835 0.2089 0.7068 0.035 Uiso 1 1 calc R . .
H19B H 0.3846 0.1824 0.6930 0.035 Uiso 1 1 calc R . .
C20 C 0.207(2) 0.1802(7) 0.6292(5) 0.036(3) Uani 1 1 d U . .
H20A H 0.3025 0.1817 0.6023 0.055 Uiso 1 1 calc R . .
H20B H 0.1004 0.2046 0.6176 0.055 Uiso 1 1 calc R . .
H20C H 0.1701 0.1364 0.6350 0.055 Uiso 1 1 calc R . .
C21 C 0.2341(14) 0.2113(5) 0.8738(4) 0.0166(15) Uani 1 1 d U . .
C22 C 0.1155(14) 0.1739(5) 0.8429(4) 0.0169(17) Uani 1 1 d U . .
H22 H 0.0607 0.1912 0.8125 0.020 Uiso 1 1 calc R . .
C23 C 0.0783(14) 0.1118(5) 0.8569(4) 0.0174(17) Uani 1 1 d U . .
H23 H -0.0059 0.0879 0.8368 0.021 Uiso 1 1 calc R . .
C24 C 0.1617(15) 0.0850(5) 0.8994(4) 0.0184(16) Uani 1 1 d U . .
C25 C 0.2829(14) 0.1219(5) 0.9287(4) 0.0170(17) Uani 1 1 d U . .
H25 H 0.3452 0.1038 0.9576 0.020 Uiso 1 1 calc R . .
C26 C 0.3133(15) 0.1836(5) 0.9164(4) 0.0176(16) Uani 1 1 d U . .
H26 H 0.3916 0.2079 0.9381 0.021 Uiso 1 1 calc R . .
C27 C 0.1250(16) 0.0169(6) 0.9143(5) 0.028(3) Uani 1 1 d U . .
H27A H 0.1359 0.0121 0.9523 0.041 Uiso 1 1 calc R . .
H27B H 0.2146 -0.0104 0.8970 0.041 Uiso 1 1 calc R . .
H27C H 0.0010 0.0051 0.9033 0.041 Uiso 1 1 calc R . .
C28 C 0.2548(15) 0.3231(6) 0.8887(4) 0.0187(17) Uani 1 1 d U . .
C29 C 0.1750(18) 0.3539(6) 0.9764(4) 0.0247(19) Uani 1 1 d U . .
H29A H 0.0708 0.3433 0.9996 0.030 Uiso 1 1 calc R . .
H29B H 0.1472 0.3946 0.9594 0.030 Uiso 1 1 calc R . .
C30 C 0.3493(18) 0.3610(6) 1.0095(5) 0.032(3) Uani 1 1 d U . .
H30A H 0.4444 0.3820 0.9889 0.048 Uiso 1 1 calc R . .
H30B H 0.3928 0.3194 1.0202 0.048 Uiso 1 1 calc R . .
H30C H 0.3218 0.3861 1.0406 0.048 Uiso 1 1 calc R . .
C31 C 0.7971(15) 0.2944(6) 0.8046(5) 0.0251(17) Uani 1 1 d U . .
C32 C 0.7470(16) 0.2735(6) 0.8526(5) 0.0265(18) Uani 1 1 d U . .
C33 C 0.7426(15) 0.3172(6) 0.8959(5) 0.0230(17) Uani 1 1 d U . .
C34 C 0.7920(16) 0.3773(6) 0.8877(5) 0.0244(17) Uani 1 1 d U . .
C35 C 0.8992(16) 0.4636(6) 0.8291(5) 0.0249(17) Uani 1 1 d U . .
C36 C 0.9538(16) 0.4844(6) 0.7837(5) 0.0271(18) Uani 1 1 d U . .
C37 C 0.9612(16) 0.4402(6) 0.7400(5) 0.0276(18) Uani 1 1 d U . .
C38 C 0.9088(15) 0.3808(6) 0.7447(5) 0.0265(17) Uani 1 1 d U . .
C39 C 0.8495(16) 0.3570(6) 0.7969(5) 0.0248(16) Uani 1 1 d U . .
C40 C 0.8471(16) 0.4005(6) 0.8391(5) 0.0236(16) Uani 1 1 d U . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.01430(19) 0.0125(2) 0.0153(2) 0.00162(15) 0.00006(16) 0.00008(16)
Au2 0.01548(19) 0.0143(2) 0.0142(2) 0.00096(17) -0.00062(16) 0.00034(14)
Au3 0.01704(19) 0.0146(2) 0.0131(2) 0.00255(16) -0.00090(16) 0.00029(17)
F1 0.030(4) 0.033(4) 0.035(4) -0.018(3) -0.005(3) -0.001(3)
F2 0.029(4) 0.028(4) 0.047(4) -0.010(3) 0.000(3) -0.003(3)
F3 0.029(4) 0.031(4) 0.034(4) 0.002(3) 0.013(3) 0.007(3)
F4 0.034(4) 0.019(4) 0.016(3) -0.007(2) 0.003(3) -0.002(3)
F5 0.033(4) 0.024(4) 0.033(4) -0.006(3) -0.007(3) 0.000(3)
F6 0.030(4) 0.035(4) 0.036(4) 0.006(3) -0.003(3) -0.002(3)
F7 0.033(4) 0.044(4) 0.022(4) 0.014(3) 0.003(3) 0.009(3)
F8 0.040(4) 0.047(5) 0.024(4) -0.010(3) -0.004(3) 0.006(3)
O1 0.026(3) 0.023(3) 0.021(3) -0.002(3) 0.007(3) -0.002(3)
O2 0.036(3) 0.019(3) 0.014(3) 0.001(3) 0.004(3) -0.007(3)
O3 0.025(3) 0.023(3) 0.020(3) 0.003(3) 0.000(3) -0.001(3)
N1 0.020(3) 0.021(3) 0.015(3) -0.005(3) 0.004(3) 0.008(3)
N2 0.021(3) 0.015(3) 0.011(3) 0.004(3) 0.001(3) 0.002(3)
N3 0.013(3) 0.018(3) 0.017(3) -0.004(3) -0.004(3) -0.001(3)
C1 0.022(3) 0.016(3) 0.021(3) 0.000(3) 0.005(3) 0.002(3)
C2 0.027(4) 0.015(4) 0.021(4) 0.001(3) 0.007(3) 0.003(3)
C3 0.027(4) 0.014(4) 0.021(4) 0.004(3) 0.007(3) -0.001(3)
C4 0.025(4) 0.011(4) 0.024(4) 0.001(3) 0.009(3) -0.001(3)
C5 0.024(4) 0.014(4) 0.026(4) 0.000(3) 0.005(3) 0.002(3)
C6 0.020(3) 0.015(4) 0.024(4) 0.000(3) 0.004(3) 0.000(3)
C7 0.040(6) 0.023(6) 0.024(5) -0.003(5) 0.000(5) 0.001(5)
C8 0.021(3) 0.030(3) 0.013(3) -0.008(3) 0.003(3) 0.014(3)
C9 0.029(4) 0.022(4) 0.026(4) 0.000(4) 0.009(4) -0.005(4)
C10 0.034(6) 0.029(6) 0.033(6) 0.016(5) 0.004(5) 0.003(5)
C11 0.023(3) 0.020(3) 0.015(3) 0.005(3) 0.004(3) 0.002(3)
C12 0.024(4) 0.022(4) 0.020(4) 0.005(3) 0.003(3) 0.005(3)
C13 0.026(4) 0.022(4) 0.017(4) 0.003(3) -0.001(3) 0.002(3)
C14 0.025(4) 0.023(4) 0.016(4) 0.001(3) -0.001(3) -0.003(3)
C15 0.029(4) 0.023(4) 0.019(4) 0.000(3) 0.006(3) -0.002(3)
C16 0.028(4) 0.021(4) 0.016(4) 0.004(3) 0.003(3) 0.002(3)
C17 0.024(5) 0.027(6) 0.017(5) -0.001(4) -0.001(4) 0.002(5)
C18 0.023(3) 0.018(3) 0.012(3) 0.009(3) 0.000(3) -0.001(3)
C19 0.044(5) 0.022(4) 0.023(4) 0.001(4) 0.006(4) -0.007(4)
C20 0.048(7) 0.031(6) 0.030(6) 0.000(5) -0.009(5) -0.014(5)
C21 0.013(3) 0.018(3) 0.019(3) -0.001(3) -0.002(3) -0.001(3)
C22 0.013(3) 0.021(4) 0.017(3) 0.002(3) -0.001(3) 0.002(3)
C23 0.014(3) 0.021(4) 0.018(4) 0.000(3) -0.001(3) 0.000(3)
C24 0.017(3) 0.018(4) 0.020(3) 0.001(3) 0.000(3) 0.000(3)
C25 0.014(3) 0.015(4) 0.021(4) 0.006(3) 0.000(3) 0.000(3)
C26 0.014(3) 0.015(4) 0.023(4) 0.001(3) -0.003(3) -0.006(3)
C27 0.026(5) 0.022(6) 0.035(6) 0.010(5) -0.006(5) -0.005(4)
C28 0.014(3) 0.018(4) 0.025(4) -0.005(3) -0.008(3) 0.004(3)
C29 0.028(4) 0.026(4) 0.020(4) 0.007(3) 0.000(4) -0.002(4)
C30 0.034(6) 0.037(7) 0.024(6) 0.002(5) -0.018(5) -0.004(5)
C31 0.017(3) 0.028(4) 0.030(4) -0.007(3) 0.000(3) 0.005(3)
C32 0.018(3) 0.027(4) 0.035(4) -0.003(3) 0.002(3) 0.004(3)
C33 0.016(3) 0.023(4) 0.030(4) 0.000(3) 0.000(3) 0.003(3)
C34 0.021(3) 0.026(4) 0.026(4) -0.002(3) -0.005(3) 0.001(3)
C35 0.020(3) 0.026(4) 0.029(4) 0.001(3) -0.013(3) 0.002(3)
C36 0.021(3) 0.029(4) 0.032(4) 0.006(3) -0.009(3) 0.003(3)
C37 0.022(3) 0.032(4) 0.029(4) 0.006(3) -0.005(3) 0.004(3)
C38 0.021(3) 0.033(4) 0.025(4) 0.001(3) -0.001(3) 0.005(3)
C39 0.020(3) 0.029(3) 0.025(3) -0.002(3) -0.001(3) 0.005(3)
C40 0.020(3) 0.024(3) 0.027(3) 0.000(3) -0.007(3) 0.004(3)

_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 C28 1.960(12) . ?
Au1 N1 2.055(10) . ?
Au1 Au2 3.2796(10) . ?
Au1 Au3 3.3368(9) . ?
Au2 C8 1.925(11) . ?
Au2 N2 2.055(9) . ?
Au2 Au3 3.2790(9) . ?
Au3 C18 1.975(11) . ?
Au3 N3 2.058(9) . ?
F1 C31 1.329(13) . ?
F2 C32 1.316(15) . ?
F3 C33 1.326(14) . ?
F4 C34 1.370(13) . ?
F5 C35 1.342(14) . ?
F6 C36 1.330(14) . ?
F7 C37 1.331(14) . ?
F8 C38 1.296(14) . ?
O1 C9 1.440(14) . ?
O1 C8 1.481(15) . ?
O2 C18 1.345(14) . ?
O2 C19 1.475(14) . ?
O3 C29 1.387(14) . ?
O3 C28 1.389(14) . ?
N1 C8 1.249(14) . ?
N1 C1 1.493(14) . ?
N2 C18 1.330(14) . ?
N2 C11 1.432(13) . ?
N3 C28 1.321(14) . ?
N3 C21 1.414(15) . ?
C1 C2 1.356(16) . ?
C1 C6 1.402(16) . ?
C2 C3 1.416(16) . ?
C3 C4 1.364(16) . ?
C4 C5 1.439(16) . ?
C4 C7 1.468(16) . ?
C5 C6 1.362(16) . ?
C9 C10 1.499(17) . ?
C11 C12 1.403(16) . ?
C11 C16 1.415(16) . ?
C12 C13 1.369(16) . ?
C13 C14 1.401(16) . ?
C14 C15 1.422(17) . ?
C14 C17 1.490(16) . ?
C15 C16 1.397(15) . ?
C19 C20 1.518(17) . ?
C21 C26 1.367(15) . ?
C21 C22 1.415(15) . ?
C22 C23 1.397(16) . ?
C23 C24 1.369(15) . ?
C24 C25 1.400(15) . ?
C24 C27 1.523(16) . ?
C25 C26 1.369(15) . ?
C29 C30 1.535(16) . ?
C31 C32 1.356(17) . ?
C31 C39 1.402(17) . ?
C32 C33 1.446(18) . ?
C33 C34 1.346(17) . ?
C34 C40 1.398(17) . ?
C35 C36 1.306(18) . ?
C35 C40 1.419(17) . ?
C36 C37 1.461(18) . ?
C37 C38 1.328(18) . ?
C38 C39 1.494(17) . ?
C39 C40 1.421(17) . ?

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
C28 Au1 N1 178.7(4) . . ?
C28 Au1 Au2 118.7(3) . . ?
N1 Au1 Au2 60.3(2) . . ?
C28 Au1 Au3 59.3(3) . . ?
N1 Au1 Au3 119.7(3) . . ?
Au2 Au1 Au3 59.408(19) . . ?
C8 Au2 N2 177.7(4) . . ?
C8 Au2 Au3 118.9(4) . . ?
N2 Au2 Au3 60.3(2) . . ?
C8 Au2 Au1 57.8(4) . . ?
N2 Au2 Au1 121.2(2) . . ?
Au3 Au2 Au1 61.164(12) . . ?
C18 Au3 N3 178.4(4) . . ?
C18 Au3 Au2 61.8(3) . . ?
N3 Au3 Au2 119.2(3) . . ?
C18 Au3 Au1 120.8(3) . . ?
N3 Au3 Au1 60.1(3) . . ?
Au2 Au3 Au1 59.43(2) . . ?
C9 O1 C8 118.6(8) . . ?
C18 O2 C19 116.5(8) . . ?
C29 O3 C28 120.4(9) . . ?
C8 N1 C1 128.0(11) . . ?
C8 N1 Au1 112.2(8) . . ?
C1 N1 Au1 119.7(7) . . ?
C18 N2 C11 123.3(9) . . ?
C18 N2 Au2 117.8(7) . . ?
C11 N2 Au2 118.4(7) . . ?
C28 N3 C21 124.2(10) . . ?
C28 N3 Au3 115.2(8) . . ?
C21 N3 Au3 120.3(7) . . ?
C2 C1 C6 121.2(11) . . ?
C2 C1 N1 118.2(10) . . ?
C6 C1 N1 120.6(10) . . ?
C1 C2 C3 119.1(11) . . ?
C4 C3 C2 122.4(11) . . ?
C3 C4 C5 116.1(11) . . ?
C3 C4 C7 123.2(11) . . ?
C5 C4 C7 120.6(10) . . ?
C6 C5 C4 122.4(11) . . ?
C5 C6 C1 118.8(11) . . ?
N1 C8 O1 111.2(10) . . ?
N1 C8 Au2 129.2(10) . . ?
O1 C8 Au2 119.6(7) . . ?
O1 C9 C10 111.1(10) . . ?
C12 C11 C16 119.4(10) . . ?
C12 C11 N2 119.3(10) . . ?
C16 C11 N2 121.3(10) . . ?
C13 C12 C11 120.0(11) . . ?
C12 C13 C14 123.1(12) . . ?
C13 C14 C15 116.2(11) . . ?
C13 C14 C17 122.1(11) . . ?
C15 C14 C17 121.5(10) . . ?
C16 C15 C14 122.0(11) . . ?
C15 C16 C11 119.1(11) . . ?
N2 C18 O2 114.1(9) . . ?
N2 C18 Au3 119.9(8) . . ?
O2 C18 Au3 126.1(8) . . ?
O2 C19 C20 105.0(9) . . ?
C26 C21 N3 123.9(10) . . ?
C26 C21 C22 117.4(10) . . ?
N3 C21 C22 118.7(10) . . ?
C23 C22 C21 120.5(10) . . ?
C24 C23 C22 120.8(10) . . ?
C23 C24 C25 118.1(10) . . ?
C23 C24 C27 121.2(10) . . ?
C25 C24 C27 120.7(10) . . ?
C26 C25 C24 121.2(10) . . ?
C21 C26 C25 121.9(10) . . ?
N3 C28 O3 112.8(10) . . ?
N3 C28 Au1 124.6(9) . . ?
O3 C28 Au1 122.6(8) . . ?
O3 C29 C30 112.8(10) . . ?
F1 C31 C32 117.2(11) . . ?
F1 C31 C39 122.1(11) . . ?
C32 C31 C39 120.7(11) . . ?
F2 C32 C31 122.7(12) . . ?
F2 C32 C33 118.0(11) . . ?
C31 C32 C33 119.3(12) . . ?
F3 C33 C34 122.9(11) . . ?
F3 C33 C32 117.9(11) . . ?
C34 C33 C32 119.1(12) . . ?
C33 C34 F4 116.3(11) . . ?
C33 C34 C40 123.4(11) . . ?
F4 C34 C40 120.3(11) . . ?
C36 C35 F5 117.6(12) . . ?
C36 C35 C40 124.2(12) . . ?
F5 C35 C40 118.2(11) . . ?
C35 C36 F6 123.9(12) . . ?
C35 C36 C37 118.3(12) . . ?
F6 C36 C37 117.7(11) . . ?
C38 C37 F7 120.3(12) . . ?
C38 C37 C36 122.3(12) . . ?
F7 C37 C36 117.3(11) . . ?
F8 C38 C37 122.3(12) . . ?
F8 C38 C39 118.6(11) . . ?
C37 C38 C39 119.1(11) . . ?
C31 C39 C40 120.7(11) . . ?
C31 C39 C38 121.7(11) . . ?
C40 C39 C38 117.6(11) . . ?
C34 C40 C35 124.8(11) . . ?
C34 C40 C39 116.7(11) . . ?
C35 C40 C39 118.5(11) . . ?

_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_theta_full 25.00
_diffrn_measured_fraction_theta_full 0.967
_refine_diff_density_max 4.135
_refine_diff_density_min -1.956
_refine_diff_density_rms 0.235