# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2012


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#                                CCDC 
# 
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# 
#  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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data_dz1
_database_code_depnum_ccdc_archive 'CCDC 883213'
#TrackingRef 'si angewandte2 2012.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            '4 in manuscript'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C114 H133 Au Cl10 F6 N2'
_chemical_formula_weight         2196.69

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'
Cl Cl 0.1484 0.1585 '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           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   24.2655(6)
_cell_length_b                   29.8227(7)
_cell_length_c                   16.9856(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.803(1)
_cell_angle_gamma                90.00
_cell_volume                     11767.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9339
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      26.62

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.240
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4536
_exptl_absorpt_coefficient_mu    1.530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6917
_exptl_absorpt_correction_T_max  0.9138
_exptl_absorpt_process_details   
;
Sheldrick, G. M. (2008). <i>SADABS</i>. University of G\"ottingen, Germany.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'ImuS microsource'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'Bruker APEX-II Quazar'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            104328
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_sigmaI/netI    0.0188
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.22
_diffrn_reflns_theta_max         26.77
_reflns_number_total             12550
_reflns_number_gt                11201
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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^)+(0.0889P)^2^+23.8774P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12550
_refine_ls_number_parameters     708
_refine_ls_number_restraints     578
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0462
_refine_ls_wR_factor_ref         0.1400
_refine_ls_wR_factor_gt          0.1334
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_restrained_S_all      1.151
_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 0.0000 0.164315(6) 0.7500 0.03480(8) Uani 1 2 d S . .
C1 C 0.0000 0.23179(16) 0.7500 0.0281(9) Uani 1 2 d S . .
N2 N 0.02400(12) 0.25971(10) 0.81368(17) 0.0294(6) Uani 1 1 d . . .
C3 C 0.01501(17) 0.30401(12) 0.7896(2) 0.0387(8) Uani 1 1 d . . .
H3 H 0.0278 0.3296 0.8232 0.046 Uiso 1 1 calc R . .
C11 C 0.05405(15) 0.24382(12) 0.8951(2) 0.0328(7) Uani 1 1 d . . .
C12 C 0.02454(16) 0.24077(14) 0.9532(2) 0.0387(8) Uani 1 1 d . . .
C13 C 0.05464(18) 0.22584(16) 1.0324(2) 0.0468(9) Uani 1 1 d . . .
H13 H 0.0354 0.2239 1.0736 0.056 Uiso 1 1 calc R . .
C14 C 0.11224(18) 0.21381(17) 1.0511(2) 0.0485(10) Uani 1 1 d . . .
C15 C 0.14020(17) 0.21640(15) 0.9898(2) 0.0433(9) Uani 1 1 d . . .
H15 H 0.1794 0.2075 1.0022 0.052 Uiso 1 1 calc R . .
C16 C 0.11200(15) 0.23174(13) 0.9113(2) 0.0355(7) Uani 1 1 d . . .
C17 C -0.03910(16) 0.25365(14) 0.9340(2) 0.0391(8) Uani 1 1 d . . .
H17 H -0.0533 0.2574 0.8729 0.047 Uiso 1 1 calc R . .
C18 C 0.1436(2) 0.1976(2) 1.1368(3) 0.0739(17) Uani 1 1 d . . .
H18A H 0.1422 0.2209 1.1769 0.111 Uiso 1 1 calc R . .
H18B H 0.1838 0.1911 1.1401 0.111 Uiso 1 1 calc R . .
H18C H 0.1250 0.1703 1.1489 0.111 Uiso 1 1 calc R . .
C19 C 0.14233(15) 0.23624(13) 0.8450(2) 0.0366(8) Uani 1 1 d . . .
H19 H 0.1122 0.2311 0.7915 0.044 Uiso 1 1 calc R . .
C21 C -0.07411(17) 0.21510(15) 0.9545(3) 0.0432(9) Uani 1 1 d . . .
C22 C -0.0903(2) 0.18010(19) 0.8982(3) 0.0610(13) Uani 1 1 d . . .
H22 H -0.0810 0.1816 0.8476 0.073 Uiso 1 1 calc R . .
C23 C -0.1197(3) 0.1430(2) 0.9149(4) 0.0740(16) Uani 1 1 d . . .
H23 H -0.1287 0.1192 0.8761 0.089 Uiso 1 1 calc R . .
C24 C -0.1361(2) 0.13967(18) 0.9854(4) 0.0644(13) Uani 1 1 d . . .
C25 C -0.1212(3) 0.1754(2) 1.0411(4) 0.0688(15) Uani 1 1 d . . .
H25 H -0.1320 0.1744 1.0905 0.083 Uiso 1 1 calc R . .
C26 C -0.0906(2) 0.21265(18) 1.0253(3) 0.0567(11) Uani 1 1 d . . .
H26 H -0.0811 0.2364 1.0640 0.068 Uiso 1 1 calc R . .
C28 C -0.1670(3) 0.0972(2) 1.0030(5) 0.092(2) Uani 1 1 d DU . .
C31 C -0.04799(17) 0.29894(14) 0.9703(2) 0.0404(8) Uani 1 1 d . . .
C32 C -0.10348(19) 0.31451(17) 0.9608(3) 0.0504(10) Uani 1 1 d . . .
H32 H -0.1353 0.2959 0.9347 0.060 Uiso 1 1 calc R . .
C33 C -0.1134(2) 0.35642(18) 0.9885(3) 0.0581(12) Uani 1 1 d . . .
H33 H -0.1520 0.3661 0.9801 0.070 Uiso 1 1 calc R . .
C34 C -0.0684(2) 0.38491(17) 1.0283(3) 0.0570(11) Uani 1 1 d . A .
C35 C -0.0134(2) 0.36926(19) 1.0381(4) 0.0740(16) Uani 1 1 d . . .
H35 H 0.0185 0.3875 1.0653 0.089 Uiso 1 1 calc R . .
C36 C -0.0034(2) 0.32703(18) 1.0087(4) 0.0586(12) Uani 1 1 d . . .
H36 H 0.0351 0.3176 1.0155 0.070 Uiso 1 1 calc R . .
C41 C 0.18805(17) 0.19991(15) 0.8513(2) 0.0414(9) Uani 1 1 d . . .
C42 C 0.1713(2) 0.15511(17) 0.8464(4) 0.0604(13) Uani 1 1 d . . .
H42 H 0.1323 0.1479 0.8408 0.072 Uiso 1 1 calc R . .
C43 C 0.2106(2) 0.12072(19) 0.8495(4) 0.0692(15) Uani 1 1 d . . .
H43 H 0.1979 0.0905 0.8463 0.083 Uiso 1 1 calc R . .
C44 C 0.2687(2) 0.13002(19) 0.8575(3) 0.0603(13) Uani 1 1 d . . .
C45 C 0.2846(2) 0.17477(19) 0.8633(4) 0.0585(12) Uani 1 1 d . . .
H45 H 0.3237 0.1823 0.8697 0.070 Uiso 1 1 calc R . .
C46 C 0.24536(18) 0.20895(17) 0.8602(3) 0.0501(10) Uani 1 1 d . . .
H46 H 0.2581 0.2392 0.8643 0.060 Uiso 1 1 calc R . .
C48 C 0.3135(2) 0.0929(2) 0.8627(4) 0.0784(17) Uani 1 1 d DU . .
C51 C 0.16421(15) 0.28389(14) 0.8413(2) 0.0383(8) Uani 1 1 d . . .
C52 C 0.1579(2) 0.3043(2) 0.7671(3) 0.0642(14) Uani 1 1 d . . .
H52 H 0.1388 0.2886 0.7181 0.077 Uiso 1 1 calc R . .
C53 C 0.1784(3) 0.3470(2) 0.7613(4) 0.0760(17) Uani 1 1 d . . .
H53 H 0.1732 0.3599 0.7084 0.091 Uiso 1 1 calc R . .
C54 C 0.2062(2) 0.37159(17) 0.8301(3) 0.0568(11) Uani 1 1 d . B .
C55 C 0.2126(2) 0.35105(19) 0.9049(3) 0.0597(12) Uani 1 1 d . . .
H55 H 0.2319 0.3667 0.9539 0.072 Uiso 1 1 calc R . .
C56 C 0.1917(2) 0.30812(15) 0.9109(3) 0.0473(9) Uani 1 1 d . . .
H56 H 0.1964 0.2953 0.9636 0.057 Uiso 1 1 calc R . .
C58 C 0.2288(3) 0.4192(2) 0.8242(4) 0.0863(19) Uani 1 1 d DU . .
C61 C 0.0000 0.09491(17) 0.7500 0.0393(11) Uani 1 2 d S . .
C62 C 0.0468(2) 0.07091(16) 0.7428(3) 0.0580(12) Uani 1 1 d . . .
H62 H 0.0798 0.0866 0.7379 0.070 Uiso 1 1 calc R . .
C63 C 0.0470(3) 0.02470(18) 0.7424(4) 0.0675(14) Uani 1 1 d . . .
C64 C 0.0000 0.0003(3) 0.7500 0.072(2) Uani 1 2 d S . .
H64 H 0.0000 -0.0315 0.7500 0.086 Uiso 1 2 calc SR . .
C68 C 0.0985(4) 0.0005(2) 0.7343(6) 0.097(2) Uani 1 1 d . . .
F1 F 0.1446(2) 0.00724(19) 0.8017(5) 0.151(3) Uani 1 1 d . . .
F2 F 0.1192(4) 0.0152(2) 0.6788(6) 0.199(4) Uani 1 1 d . . .
F3 F 0.0943(3) -0.04303(16) 0.7321(5) 0.162(3) Uani 1 1 d . . .
C281 C -0.1236(4) 0.0597(3) 1.0279(8) 0.153(4) Uani 1 1 d DU . .
H28A H -0.1054 0.0546 0.9842 0.229 Uiso 1 1 calc R . .
H28B H -0.1431 0.0323 1.0370 0.229 Uiso 1 1 calc R . .
H28C H -0.0942 0.0680 1.0788 0.229 Uiso 1 1 calc R . .
C282 C -0.1960(4) 0.1055(3) 1.0697(6) 0.128(3) Uani 1 1 d DU . .
H28D H -0.2244 0.1296 1.0524 0.193 Uiso 1 1 calc R . .
H28E H -0.1670 0.1142 1.1207 0.193 Uiso 1 1 calc R . .
H28F H -0.2154 0.0780 1.0790 0.193 Uiso 1 1 calc R . .
C283 C -0.2126(4) 0.0826(3) 0.9260(6) 0.138(3) Uani 1 1 d DU . .
H28G H -0.2415 0.1063 0.9085 0.208 Uiso 1 1 calc R . .
H28H H -0.2313 0.0552 0.9374 0.208 Uiso 1 1 calc R . .
H28I H -0.1947 0.0767 0.8822 0.208 Uiso 1 1 calc R . .
C38 C -0.0789(3) 0.4309(2) 1.0606(4) 0.0774(16) Uani 1 1 d DU . .
C381 C -0.1166(9) 0.4581(5) 0.9915(10) 0.127(8) Uani 0.51(2) 1 d PDU A 1
H38A H -0.0972 0.4623 0.9488 0.191 Uiso 0.51(2) 1 calc PR A 1
H38B H -0.1240 0.4874 1.0124 0.191 Uiso 0.51(2) 1 calc PR A 1
H38C H -0.1531 0.4424 0.9681 0.191 Uiso 0.51(2) 1 calc PR A 1
C382 C -0.1072(8) 0.4248(5) 1.1277(10) 0.099(6) Uani 0.51(2) 1 d PDU A 1
H38D H -0.0832 0.4055 1.1708 0.149 Uiso 0.51(2) 1 calc PR A 1
H38E H -0.1450 0.4108 1.1049 0.149 Uiso 0.51(2) 1 calc PR A 1
H38F H -0.1120 0.4540 1.1512 0.149 Uiso 0.51(2) 1 calc PR A 1
C383 C -0.0228(6) 0.4560(5) 1.0993(13) 0.112(7) Uani 0.51(2) 1 d PDU A 1
H38G H 0.0016 0.4382 1.1445 0.168 Uiso 0.51(2) 1 calc PR A 1
H38H H -0.0313 0.4849 1.1207 0.168 Uiso 0.51(2) 1 calc PR A 1
H38I H -0.0027 0.4611 1.0577 0.168 Uiso 0.51(2) 1 calc PR A 1
C384 C -0.0504(10) 0.4349(7) 1.1494(8) 0.136(11) Uani 0.49(2) 1 d PDU A 2
H38J H -0.0643 0.4112 1.1788 0.204 Uiso 0.49(2) 1 calc PR A 2
H38K H -0.0591 0.4643 1.1688 0.204 Uiso 0.49(2) 1 calc PR A 2
H38L H -0.0086 0.4319 1.1599 0.204 Uiso 0.49(2) 1 calc PR A 2
C385 C -0.0574(11) 0.4677(5) 1.0134(15) 0.132(10) Uani 0.49(2) 1 d PDU A 2
H38M H -0.0767 0.4647 0.9544 0.197 Uiso 0.49(2) 1 calc PR A 2
H38N H -0.0157 0.4646 1.0233 0.197 Uiso 0.49(2) 1 calc PR A 2
H38O H -0.0659 0.4972 1.0323 0.197 Uiso 0.49(2) 1 calc PR A 2
C386 C -0.1433(5) 0.4422(5) 1.0408(14) 0.116(9) Uani 0.49(2) 1 d PDU A 2
H38P H -0.1610 0.4412 0.9811 0.175 Uiso 0.49(2) 1 calc PR A 2
H38Q H -0.1478 0.4724 1.0611 0.175 Uiso 0.49(2) 1 calc PR A 2
H38R H -0.1622 0.4203 1.0674 0.175 Uiso 0.49(2) 1 calc PR A 2
C481 C 0.3584(3) 0.0950(2) 0.9467(5) 0.091(2) Uani 1 1 d DU . .
H48A H 0.3873 0.0715 0.9502 0.136 Uiso 1 1 calc R . .
H48B H 0.3396 0.0903 0.9899 0.136 Uiso 1 1 calc R . .
H48C H 0.3771 0.1244 0.9539 0.136 Uiso 1 1 calc R . .
C482 C 0.2876(3) 0.0465(2) 0.8577(8) 0.161(5) Uani 1 1 d DU . .
H48D H 0.3177 0.0240 0.8615 0.242 Uiso 1 1 calc R . .
H48E H 0.2576 0.0431 0.8052 0.242 Uiso 1 1 calc R . .
H48F H 0.2708 0.0423 0.9031 0.242 Uiso 1 1 calc R . .
C483 C 0.3451(5) 0.1014(4) 0.7997(6) 0.161(5) Uani 1 1 d DU . .
H48G H 0.3739 0.0779 0.8035 0.241 Uiso 1 1 calc R . .
H48H H 0.3641 0.1307 0.8100 0.241 Uiso 1 1 calc R . .
H48I H 0.3176 0.1012 0.7445 0.241 Uiso 1 1 calc R . .
C581 C 0.2932(8) 0.4142(17) 0.842(3) 0.088(16) Uiso 0.144(16) 1 d PDU B 1
H58A H 0.3020 0.4022 0.7932 0.132 Uiso 0.144(16) 1 calc PR B 1
H58B H 0.3078 0.3936 0.8882 0.132 Uiso 0.144(16) 1 calc PR B 1
H58C H 0.3116 0.4436 0.8557 0.132 Uiso 0.144(16) 1 calc PR B 1
C582 C 0.2132(17) 0.4515(12) 0.880(2) 0.064(11) Uiso 0.144(16) 1 d PDU B 1
H58D H 0.1799 0.4402 0.8956 0.096 Uiso 0.144(16) 1 calc PR B 1
H58E H 0.2036 0.4804 0.8521 0.096 Uiso 0.144(16) 1 calc PR B 1
H58F H 0.2458 0.4553 0.9294 0.096 Uiso 0.144(16) 1 calc PR B 1
C583 C 0.202(3) 0.432(3) 0.7358(14) 0.21(5) Uiso 0.144(16) 1 d PDU B 1
H58G H 0.2010 0.4063 0.7004 0.309 Uiso 0.144(16) 1 calc PR B 1
H58H H 0.2260 0.4560 0.7211 0.309 Uiso 0.144(16) 1 calc PR B 1
H58I H 0.1634 0.4438 0.7284 0.309 Uiso 0.144(16) 1 calc PR B 1
C584 C 0.1787(6) 0.4513(3) 0.8083(12) 0.179(8) Uani 0.856(16) 1 d PDU B 2
H58J H 0.1632 0.4513 0.8556 0.268 Uiso 0.856(16) 1 calc PR B 2
H58K H 0.1486 0.4418 0.7591 0.268 Uiso 0.856(16) 1 calc PR B 2
H58L H 0.1917 0.4815 0.8000 0.268 Uiso 0.856(16) 1 calc PR B 2
C585 C 0.2566(6) 0.4221(3) 0.7583(8) 0.135(6) Uani 0.856(16) 1 d PDU B 2
H58M H 0.2850 0.3980 0.7648 0.203 Uiso 0.856(16) 1 calc PR B 2
H58N H 0.2759 0.4512 0.7612 0.203 Uiso 0.856(16) 1 calc PR B 2
H58O H 0.2275 0.4191 0.7049 0.203 Uiso 0.856(16) 1 calc PR B 2
C586 C 0.2730(8) 0.4335(4) 0.9038(8) 0.202(9) Uani 0.856(16) 1 d PDU B 2
H58P H 0.3063 0.4134 0.9152 0.304 Uiso 0.856(16) 1 calc PR B 2
H58Q H 0.2557 0.4320 0.9492 0.304 Uiso 0.856(16) 1 calc PR B 2
H58R H 0.2854 0.4643 0.8981 0.304 Uiso 0.856(16) 1 calc PR B 2
C81 C 0.2501(3) 0.2780(2) 0.3714(6) 0.115(3) Uani 1 1 d DU . .
H81A H 0.2555 0.2930 0.3222 0.138 Uiso 1 1 calc R . .
H81B H 0.2857 0.2824 0.4171 0.138 Uiso 1 1 calc R . .
Cl1 Cl 0.19494(15) 0.30304(12) 0.3965(3) 0.1924(17) Uani 1 1 d DU . .
Cl2 Cl 0.24049(10) 0.22256(9) 0.35191(18) 0.1270(9) Uani 1 1 d DU . .
C82 C 0.0487(6) 0.1085(4) -0.0219(5) 0.148(5) Uani 0.766(7) 1 d PDU C 1
H82A H 0.0143 0.1133 -0.0695 0.177 Uiso 0.766(7) 1 calc PR C 1
H82B H 0.0747 0.1344 -0.0194 0.177 Uiso 0.766(7) 1 calc PR C 1
Cl3 Cl 0.0817(4) 0.0627(3) -0.0383(3) 0.313(6) Uani 0.766(7) 1 d PDU C 1
Cl4 Cl 0.0279(2) 0.10823(18) 0.0636(4) 0.186(2) Uani 0.766(7) 1 d PDU C 1
C83 C 0.4696(8) 0.1902(11) 0.7133(19) 0.183(10) Uani 0.50 1 d PDU D -1
H83A H 0.4589 0.1587 0.7204 0.220 Uiso 0.50 1 calc PR D -1
H83B H 0.4556 0.1971 0.6539 0.220 Uiso 0.50 1 calc PR D -1
Cl5 Cl 0.5412(7) 0.1936(6) 0.7422(12) 0.273(7) Uani 0.50 1 d PDU D -1
Cl6 Cl 0.4346(5) 0.2233(4) 0.7624(6) 0.219(4) Uani 0.50 1 d PDU D -1
C84 C 0.5054(12) 0.0663(13) 0.2397(7) 0.294(13) Uani 0.50 1 d PDU E -1
H84A H 0.5099 0.0333 0.2403 0.353 Uiso 0.50 1 calc PR E -1
H84B H 0.5439 0.0792 0.2450 0.353 Uiso 0.50 1 calc PR E -1
Cl7 Cl 0.4631(3) 0.08032(18) 0.1461(6) 0.162(3) Uani 0.50 1 d PDU E -1
Cl8 Cl 0.4882(6) 0.0802(2) 0.3254(6) 0.210(4) Uani 0.50 1 d PDU E -1
C85 C 0.0172 0.1424(7) 0.2454(15) 0.32(4) Uiso 0.421(8) 1 d PDU F -2
H85A H 0.0061 0.1314 0.1879 0.382 Uiso 0.421(8) 1 calc PR F -2
H85B H 0.0511 0.1247 0.2766 0.382 Uiso 0.421(8) 1 calc PR F -2
Cl9 Cl -0.0370(7) 0.1319(5) 0.2849(13) 0.288(8) Uani 0.421(8) 1 d PDU F -2
Cl10 Cl 0.0368(8) 0.1961(6) 0.2458(10) 0.327(10) Uani 0.421(8) 1 d PDU F -2

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 0.03277(12) 0.02916(12) 0.04212(13) 0.000 0.01025(8) 0.000
C1 0.021(2) 0.034(2) 0.030(2) 0.000 0.0094(17) 0.000
N2 0.0279(13) 0.0285(14) 0.0326(14) -0.0013(11) 0.0100(11) -0.0011(11)
C3 0.045(2) 0.0278(17) 0.0420(19) -0.0023(15) 0.0108(16) -0.0028(15)
C11 0.0296(16) 0.0322(17) 0.0345(17) -0.0006(13) 0.0059(13) -0.0026(13)
C12 0.0342(18) 0.043(2) 0.0381(18) -0.0009(15) 0.0097(15) -0.0007(15)
C13 0.040(2) 0.064(3) 0.0360(19) 0.0039(18) 0.0119(16) 0.0006(19)
C14 0.040(2) 0.065(3) 0.037(2) 0.0088(19) 0.0044(16) -0.0001(19)
C15 0.0305(18) 0.053(2) 0.043(2) 0.0022(17) 0.0048(15) 0.0009(16)
C16 0.0294(17) 0.0403(19) 0.0367(18) -0.0021(15) 0.0092(14) -0.0028(14)
C17 0.0307(18) 0.050(2) 0.0380(18) 0.0038(16) 0.0124(14) -0.0005(15)
C18 0.049(3) 0.122(5) 0.044(3) 0.025(3) 0.003(2) 0.007(3)
C19 0.0259(16) 0.046(2) 0.0368(18) -0.0060(15) 0.0066(14) -0.0024(14)
C21 0.0320(18) 0.051(2) 0.050(2) 0.0049(18) 0.0171(16) 0.0000(16)
C22 0.062(3) 0.066(3) 0.069(3) -0.016(3) 0.039(3) -0.017(3)
C23 0.077(4) 0.060(3) 0.101(4) -0.022(3) 0.051(3) -0.017(3)
C24 0.057(3) 0.053(3) 0.093(4) 0.008(3) 0.038(3) 0.000(2)
C25 0.076(4) 0.073(3) 0.072(3) 0.016(3) 0.044(3) -0.003(3)
C26 0.061(3) 0.062(3) 0.054(3) -0.001(2) 0.028(2) -0.009(2)
C28 0.093(5) 0.060(3) 0.147(6) 0.013(4) 0.072(4) -0.009(3)
C31 0.0368(19) 0.046(2) 0.0401(19) 0.0037(16) 0.0131(15) 0.0005(16)
C32 0.036(2) 0.056(3) 0.059(3) -0.005(2) 0.0127(18) 0.0006(19)
C33 0.043(2) 0.057(3) 0.078(3) 0.004(2) 0.024(2) 0.008(2)
C34 0.055(3) 0.050(3) 0.073(3) -0.002(2) 0.031(2) -0.001(2)
C35 0.054(3) 0.061(3) 0.109(5) -0.026(3) 0.027(3) -0.011(2)
C36 0.037(2) 0.054(3) 0.086(4) -0.014(2) 0.021(2) 0.0009(19)
C41 0.0317(18) 0.049(2) 0.042(2) -0.0092(17) 0.0090(15) 0.0007(16)
C42 0.037(2) 0.053(3) 0.090(4) -0.017(3) 0.016(2) -0.0038(19)
C43 0.049(3) 0.054(3) 0.100(4) -0.017(3) 0.014(3) -0.001(2)
C44 0.043(2) 0.065(3) 0.069(3) -0.019(2) 0.009(2) 0.009(2)
C45 0.034(2) 0.071(3) 0.073(3) -0.011(3) 0.018(2) 0.001(2)
C46 0.033(2) 0.056(3) 0.064(3) -0.009(2) 0.0175(19) -0.0019(18)
C48 0.058(3) 0.073(4) 0.102(4) -0.023(3) 0.019(3) 0.018(3)
C51 0.0267(16) 0.047(2) 0.0414(19) -0.0011(16) 0.0106(14) -0.0005(15)
C52 0.062(3) 0.084(4) 0.040(2) 0.003(2) 0.006(2) -0.028(3)
C53 0.076(4) 0.090(4) 0.060(3) 0.029(3) 0.017(3) -0.019(3)
C54 0.053(3) 0.052(3) 0.072(3) 0.011(2) 0.027(2) -0.001(2)
C55 0.062(3) 0.052(3) 0.064(3) -0.008(2) 0.018(2) -0.008(2)
C56 0.054(2) 0.047(2) 0.040(2) 0.0004(17) 0.0132(18) -0.0036(19)
C58 0.105(5) 0.057(3) 0.110(5) 0.011(3) 0.051(4) -0.015(3)
C61 0.050(3) 0.023(2) 0.042(3) 0.000 0.009(2) 0.000
C62 0.053(3) 0.045(2) 0.077(3) -0.003(2) 0.021(2) -0.002(2)
C63 0.067(3) 0.045(3) 0.092(4) -0.004(3) 0.025(3) 0.004(2)
C64 0.076(5) 0.043(4) 0.096(6) 0.000 0.025(4) 0.000
C68 0.083(5) 0.059(4) 0.156(8) -0.009(4) 0.046(5) 0.015(3)
F1 0.082(3) 0.113(4) 0.253(8) -0.025(4) 0.043(4) 0.023(3)
F2 0.222(7) 0.177(6) 0.272(9) 0.094(6) 0.191(8) 0.127(6)
F3 0.123(4) 0.062(3) 0.310(9) -0.033(4) 0.080(5) 0.023(3)
C281 0.154(8) 0.073(5) 0.277(13) 0.056(7) 0.135(8) 0.021(5)
C282 0.155(8) 0.088(5) 0.192(8) -0.001(6) 0.131(8) -0.034(5)
C283 0.139(7) 0.111(7) 0.190(8) -0.041(6) 0.086(6) -0.078(6)
C38 0.076(4) 0.058(3) 0.109(4) -0.012(3) 0.043(3) -0.005(3)
C381 0.160(19) 0.061(9) 0.162(14) 0.026(9) 0.049(11) 0.042(11)
C382 0.116(14) 0.077(9) 0.129(12) -0.024(8) 0.074(12) 0.002(8)
C383 0.112(9) 0.066(9) 0.18(2) -0.051(11) 0.075(9) -0.025(7)
C384 0.19(3) 0.095(13) 0.115(9) -0.038(9) 0.029(11) 0.045(17)
C385 0.18(2) 0.046(7) 0.21(2) 0.003(10) 0.13(2) -0.009(10)
C386 0.084(8) 0.073(10) 0.21(2) -0.047(13) 0.063(9) 0.010(7)
C481 0.054(3) 0.085(4) 0.124(5) -0.007(4) 0.010(3) 0.020(3)
C482 0.074(5) 0.075(4) 0.300(14) -0.064(6) -0.003(6) 0.025(4)
C483 0.165(9) 0.200(10) 0.146(7) 0.027(8) 0.092(7) 0.123(8)
C584 0.183(11) 0.064(6) 0.34(2) 0.029(9) 0.156(12) 0.014(7)
C585 0.170(12) 0.088(7) 0.193(11) -0.006(7) 0.125(11) -0.055(7)
C586 0.301(19) 0.105(9) 0.162(9) -0.001(8) 0.004(11) -0.132(11)
C81 0.090(5) 0.133(6) 0.133(7) -0.027(6) 0.049(5) -0.015(5)
Cl1 0.139(2) 0.142(3) 0.325(5) -0.039(3) 0.113(3) 0.019(2)
Cl2 0.0814(12) 0.1266(18) 0.156(2) -0.0368(16) 0.0083(13) 0.0138(12)
C82 0.244(14) 0.087(7) 0.074(6) 0.031(5) -0.013(6) 0.028(7)
Cl3 0.403(11) 0.345(9) 0.136(4) 0.018(5) -0.007(5) 0.219(8)
Cl4 0.176(4) 0.168(4) 0.203(5) 0.036(4) 0.035(4) -0.005(3)
C83 0.233(12) 0.173(19) 0.119(15) -0.044(13) 0.012(13) -0.015(15)
Cl5 0.245(10) 0.252(13) 0.319(16) 0.040(13) 0.076(11) 0.047(10)
Cl6 0.231(9) 0.238(11) 0.161(6) -0.057(7) 0.014(6) 0.030(8)
C84 0.35(2) 0.29(2) 0.242(12) 0.054(18) 0.083(13) 0.00(2)
Cl7 0.152(5) 0.064(3) 0.253(7) -0.044(3) 0.033(5) -0.012(3)
Cl8 0.282(11) 0.092(4) 0.237(8) 0.036(5) 0.045(8) -0.025(6)
Cl9 0.309(14) 0.229(12) 0.411(17) -0.026(11) 0.236(14) 0.033(9)
Cl10 0.361(18) 0.456(19) 0.190(11) 0.027(12) 0.118(12) -0.092(13)

_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(5) . ?
Au1 C61 2.070(5) . ?
C1 N2 1.356(4) 2_556 ?
C1 N2 1.356(4) . ?
N2 C3 1.381(5) . ?
N2 C11 1.444(4) . ?
C3 C3 1.332(8) 2_556 ?
C3 H3 0.9500 . ?
C11 C12 1.380(5) . ?
C11 C16 1.400(5) . ?
C12 C13 1.404(6) . ?
C12 C17 1.532(5) . ?
C13 C14 1.388(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.398(6) . ?
C14 C18 1.514(6) . ?
C15 C16 1.389(5) . ?
C15 H15 0.9500 . ?
C16 C19 1.518(5) . ?
C17 C31 1.526(6) . ?
C17 C21 1.528(5) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C51 1.525(6) . ?
C19 C41 1.532(5) . ?
C19 H19 1.0000 . ?
C21 C26 1.374(6) . ?
C21 C22 1.393(7) . ?
C22 C23 1.389(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.371(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.401(9) . ?
C24 C28 1.544(7) . ?
C25 C26 1.406(7) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C28 C281 1.510(9) . ?
C28 C283 1.514(10) . ?
C28 C282 1.516(8) . ?
C31 C36 1.375(6) . ?
C31 C32 1.389(6) . ?
C32 C33 1.381(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.395(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.378(7) . ?
C34 C38 1.526(8) . ?
C35 C36 1.402(7) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C46 1.381(6) . ?
C41 C42 1.392(6) . ?
C42 C43 1.390(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.406(7) . ?
C43 H43 0.9500 . ?
C44 C45 1.385(8) . ?
C44 C48 1.535(7) . ?
C45 C46 1.386(7) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C48 C483 1.507(9) . ?
C48 C482 1.513(9) . ?
C48 C481 1.526(8) . ?
C51 C52 1.368(6) . ?
C51 C56 1.381(6) . ?
C52 C53 1.383(8) . ?
C52 H52 0.9500 . ?
C53 C54 1.379(9) . ?
C53 H53 0.9500 . ?
C54 C55 1.379(7) . ?
C54 C58 1.535(7) . ?
C55 C56 1.392(7) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C58 C585 1.468(9) . ?
C58 C582 1.475(14) . ?
C58 C583 1.505(15) . ?
C58 C584 1.508(10) . ?
C58 C581 1.512(15) . ?
C58 C586 1.524(10) . ?
C61 C62 1.378(6) 2_556 ?
C61 C62 1.378(6) . ?
C62 C63 1.378(7) . ?
C62 H62 0.9500 . ?
C63 C64 1.390(7) . ?
C63 C68 1.484(9) . ?
C64 C63 1.390(7) 2_556 ?
C64 H64 0.9500 . ?
C68 F2 1.268(10) . ?
C68 F3 1.301(8) . ?
C68 F1 1.364(11) . ?
C281 H28A 0.9800 . ?
C281 H28B 0.9800 . ?
C281 H28C 0.9800 . ?
C282 H28D 0.9800 . ?
C282 H28E 0.9800 . ?
C282 H28F 0.9800 . ?
C283 H28G 0.9800 . ?
C283 H28H 0.9800 . ?
C283 H28I 0.9800 . ?
C38 C384 1.472(12) . ?
C38 C381 1.501(11) . ?
C38 C382 1.503(10) . ?
C38 C383 1.527(11) . ?
C38 C385 1.537(11) . ?
C38 C386 1.538(11) . ?
C381 H38A 0.9800 . ?
C381 H38B 0.9800 . ?
C381 H38C 0.9800 . ?
C382 H38D 0.9800 . ?
C382 H38E 0.9800 . ?
C382 H38F 0.9800 . ?
C383 H38G 0.9800 . ?
C383 H38H 0.9800 . ?
C383 H38I 0.9800 . ?
C384 H38J 0.9800 . ?
C384 H38K 0.9800 . ?
C384 H38L 0.9800 . ?
C385 H38M 0.9800 . ?
C385 H38N 0.9800 . ?
C385 H38O 0.9800 . ?
C386 H38P 0.9800 . ?
C386 H38Q 0.9800 . ?
C386 H38R 0.9800 . ?
C481 H48A 0.9800 . ?
C481 H48B 0.9800 . ?
C481 H48C 0.9800 . ?
C482 H48D 0.9800 . ?
C482 H48E 0.9800 . ?
C482 H48F 0.9800 . ?
C483 H48G 0.9800 . ?
C483 H48H 0.9800 . ?
C483 H48I 0.9800 . ?
C581 H58A 0.9800 . ?
C581 H58B 0.9800 . ?
C581 H58C 0.9800 . ?
C582 H58D 0.9800 . ?
C582 H58E 0.9800 . ?
C582 H58F 0.9800 . ?
C583 H58G 0.9800 . ?
C583 H58H 0.9800 . ?
C583 H58I 0.9800 . ?
C584 H58J 0.9800 . ?
C584 H58K 0.9800 . ?
C584 H58L 0.9800 . ?
C585 H58M 0.9800 . ?
C585 H58N 0.9800 . ?
C585 H58O 0.9800 . ?
C586 H58P 0.9800 . ?
C586 H58Q 0.9800 . ?
C586 H58R 0.9800 . ?
C81 Cl2 1.690(6) . ?
C81 Cl1 1.690(6) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 Cl3 1.648(7) . ?
C82 Cl4 1.669(7) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 Cl5 1.666(9) . ?
C83 Cl6 1.673(9) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 Cl8 1.677(9) . ?
C84 Cl7 1.678(9) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 Cl9 1.669(9) . ?
C85 Cl10 1.673(9) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?

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 C61 180.000(1) . . ?
N2 C1 N2 104.2(4) 2_556 . ?
N2 C1 Au1 127.9(2) 2_556 . ?
N2 C1 Au1 127.9(2) . . ?
C1 N2 C3 110.9(3) . . ?
C1 N2 C11 123.0(3) . . ?
C3 N2 C11 126.2(3) . . ?
C3 C3 N2 107.0(2) 2_556 . ?
C3 C3 H3 126.5 2_556 . ?
N2 C3 H3 126.5 . . ?
C12 C11 C16 122.9(3) . . ?
C12 C11 N2 118.9(3) . . ?
C16 C11 N2 118.2(3) . . ?
C11 C12 C13 118.2(4) . . ?
C11 C12 C17 122.0(3) . . ?
C13 C12 C17 119.8(3) . . ?
C14 C13 C12 120.8(4) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C13 C14 C15 119.3(4) . . ?
C13 C14 C18 119.7(4) . . ?
C15 C14 C18 121.1(4) . . ?
C16 C15 C14 121.5(4) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C11 117.4(3) . . ?
C15 C16 C19 122.1(3) . . ?
C11 C16 C19 120.4(3) . . ?
C31 C17 C21 114.9(3) . . ?
C31 C17 C12 112.8(3) . . ?
C21 C17 C12 110.8(3) . . ?
C31 C17 H17 105.9 . . ?
C21 C17 H17 105.9 . . ?
C12 C17 H17 105.9 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 C51 111.2(3) . . ?
C16 C19 C41 112.5(3) . . ?
C51 C19 C41 114.1(3) . . ?
C16 C19 H19 106.1 . . ?
C51 C19 H19 106.1 . . ?
C41 C19 H19 106.1 . . ?
C26 C21 C22 117.7(4) . . ?
C26 C21 C17 124.1(4) . . ?
C22 C21 C17 118.2(4) . . ?
C23 C22 C21 121.1(5) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C24 C23 C22 122.2(5) . . ?
C24 C23 H23 118.9 . . ?
C22 C23 H23 118.9 . . ?
C23 C24 C25 116.8(5) . . ?
C23 C24 C28 120.6(6) . . ?
C25 C24 C28 122.5(5) . . ?
C24 C25 C26 121.3(5) . . ?
C24 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?
C21 C26 C25 120.8(5) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C281 C28 C283 107.7(8) . . ?
C281 C28 C282 110.3(7) . . ?
C283 C28 C282 108.1(7) . . ?
C281 C28 C24 108.9(5) . . ?
C283 C28 C24 110.1(6) . . ?
C282 C28 C24 111.6(6) . . ?
C36 C31 C32 117.1(4) . . ?
C36 C31 C17 123.2(4) . . ?
C32 C31 C17 119.6(4) . . ?
C33 C32 C31 121.5(4) . . ?
C33 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
C32 C33 C34 121.8(4) . . ?
C32 C33 H33 119.1 . . ?
C34 C33 H33 119.1 . . ?
C35 C34 C33 116.6(5) . . ?
C35 C34 C38 121.2(5) . . ?
C33 C34 C38 122.2(5) . . ?
C34 C35 C36 121.5(5) . . ?
C34 C35 H35 119.2 . . ?
C36 C35 H35 119.2 . . ?
C31 C36 C35 121.5(4) . . ?
C31 C36 H36 119.2 . . ?
C35 C36 H36 119.2 . . ?
C46 C41 C42 117.4(4) . . ?
C46 C41 C19 123.7(4) . . ?
C42 C41 C19 118.8(4) . . ?
C43 C42 C41 121.4(5) . . ?
C43 C42 H42 119.3 . . ?
C41 C42 H42 119.3 . . ?
C42 C43 C44 121.1(5) . . ?
C42 C43 H43 119.5 . . ?
C44 C43 H43 119.5 . . ?
C45 C44 C43 116.6(4) . . ?
C45 C44 C48 120.9(5) . . ?
C43 C44 C48 122.5(5) . . ?
C44 C45 C46 122.1(4) . . ?
C44 C45 H45 118.9 . . ?
C46 C45 H45 118.9 . . ?
C41 C46 C45 121.3(5) . . ?
C41 C46 H46 119.3 . . ?
C45 C46 H46 119.3 . . ?
C483 C48 C482 113.7(7) . . ?
C483 C48 C481 106.6(6) . . ?
C482 C48 C481 105.2(6) . . ?
C483 C48 C44 109.5(6) . . ?
C482 C48 C44 112.4(5) . . ?
C481 C48 C44 109.1(5) . . ?
C52 C51 C56 117.0(4) . . ?
C52 C51 C19 120.3(4) . . ?
C56 C51 C19 122.7(4) . . ?
C51 C52 C53 121.9(5) . . ?
C51 C52 H52 119.0 . . ?
C53 C52 H52 119.0 . . ?
C54 C53 C52 121.8(5) . . ?
C54 C53 H53 119.1 . . ?
C52 C53 H53 119.1 . . ?
C53 C54 C55 116.3(5) . . ?
C53 C54 C58 122.2(5) . . ?
C55 C54 C58 121.6(5) . . ?
C54 C55 C56 122.0(5) . . ?
C54 C55 H55 119.0 . . ?
C56 C55 H55 119.0 . . ?
C51 C56 C55 121.0(4) . . ?
C51 C56 H56 119.5 . . ?
C55 C56 H56 119.5 . . ?
C585 C58 C582 135.3(18) . . ?
C585 C58 C583 52(2) . . ?
C582 C58 C583 111(2) . . ?
C585 C58 C584 110.6(9) . . ?
C582 C58 C584 50.1(15) . . ?
C583 C58 C584 64(2) . . ?
C585 C58 C581 58.7(18) . . ?
C582 C58 C581 112.2(18) . . ?
C583 C58 C581 110(2) . . ?
C584 C58 C581 146(2) . . ?
C585 C58 C586 107.4(9) . . ?
C582 C58 C586 59.5(15) . . ?
C583 C58 C586 143(4) . . ?
C584 C58 C586 107.8(10) . . ?
C581 C58 C586 55.1(17) . . ?
C585 C58 C54 110.8(6) . . ?
C582 C58 C54 113.6(17) . . ?
C583 C58 C54 105(4) . . ?
C584 C58 C54 108.3(6) . . ?
C581 C58 C54 105(2) . . ?
C586 C58 C54 112.0(6) . . ?
C62 C61 C62 117.4(6) 2_556 . ?
C62 C61 Au1 121.3(3) 2_556 . ?
C62 C61 Au1 121.3(3) . . ?
C61 C62 C63 121.6(5) . . ?
C61 C62 H62 119.2 . . ?
C63 C62 H62 119.2 . . ?
C62 C63 C64 121.2(5) . . ?
C62 C63 C68 119.4(6) . . ?
C64 C63 C68 119.3(5) . . ?
C63 C64 C63 116.9(7) . 2_556 ?
C63 C64 H64 121.5 . . ?
C63 C64 H64 121.5 2_556 . ?
F2 C68 F3 111.6(8) . . ?
F2 C68 F1 99.7(8) . . ?
F3 C68 F1 102.1(7) . . ?
F2 C68 C63 115.2(7) . . ?
F3 C68 C63 115.3(7) . . ?
F1 C68 C63 110.9(7) . . ?
C28 C281 H28A 109.5 . . ?
C28 C281 H28B 109.5 . . ?
H28A C281 H28B 109.5 . . ?
C28 C281 H28C 109.5 . . ?
H28A C281 H28C 109.5 . . ?
H28B C281 H28C 109.5 . . ?
C28 C282 H28D 109.5 . . ?
C28 C282 H28E 109.5 . . ?
H28D C282 H28E 109.5 . . ?
C28 C282 H28F 109.5 . . ?
H28D C282 H28F 109.5 . . ?
H28E C282 H28F 109.5 . . ?
C28 C283 H28G 109.5 . . ?
C28 C283 H28H 109.5 . . ?
H28G C283 H28H 109.5 . . ?
C28 C283 H28I 109.5 . . ?
H28G C283 H28I 109.5 . . ?
H28H C283 H28I 109.5 . . ?
C384 C38 C381 139.3(11) . . ?
C384 C38 C382 54.2(11) . . ?
C381 C38 C382 110.5(11) . . ?
C384 C38 C34 111.3(8) . . ?
C381 C38 C34 109.4(8) . . ?
C382 C38 C34 108.9(7) . . ?
C384 C38 C383 54.6(11) . . ?
C381 C38 C383 109.7(11) . . ?
C382 C38 C383 106.2(10) . . ?
C34 C38 C383 112.0(7) . . ?
C384 C38 C385 110.3(12) . . ?
C381 C38 C385 55.1(11) . . ?
C382 C38 C385 141.4(10) . . ?
C34 C38 C385 109.6(8) . . ?
C383 C38 C385 58.6(11) . . ?
C384 C38 C386 110.8(11) . . ?
C381 C38 C386 50.1(10) . . ?
C382 C38 C386 62.3(10) . . ?
C34 C38 C386 112.6(7) . . ?
C383 C38 C386 135.2(9) . . ?
C385 C38 C386 101.9(11) . . ?
C38 C381 H38A 109.5 . . ?
C38 C381 H38B 109.5 . . ?
H38A C381 H38B 109.5 . . ?
C38 C381 H38C 109.5 . . ?
H38A C381 H38C 109.5 . . ?
H38B C381 H38C 109.5 . . ?
C38 C382 H38D 109.5 . . ?
C38 C382 H38E 109.5 . . ?
H38D C382 H38E 109.5 . . ?
C38 C382 H38F 109.5 . . ?
H38D C382 H38F 109.5 . . ?
H38E C382 H38F 109.5 . . ?
C38 C383 H38G 109.5 . . ?
C38 C383 H38H 109.5 . . ?
H38G C383 H38H 109.5 . . ?
C38 C383 H38I 109.5 . . ?
H38G C383 H38I 109.5 . . ?
H38H C383 H38I 109.5 . . ?
C38 C384 H38J 109.5 . . ?
C38 C384 H38K 109.5 . . ?
H38J C384 H38K 109.5 . . ?
C38 C384 H38L 109.5 . . ?
H38J C384 H38L 109.5 . . ?
H38K C384 H38L 109.5 . . ?
C38 C385 H38M 109.5 . . ?
C38 C385 H38N 109.5 . . ?
H38M C385 H38N 109.5 . . ?
C38 C385 H38O 109.5 . . ?
H38M C385 H38O 109.5 . . ?
H38N C385 H38O 109.5 . . ?
C38 C386 H38P 109.5 . . ?
C38 C386 H38Q 109.5 . . ?
H38P C386 H38Q 109.5 . . ?
C38 C386 H38R 109.5 . . ?
H38P C386 H38R 109.5 . . ?
H38Q C386 H38R 109.5 . . ?
C48 C481 H48A 109.5 . . ?
C48 C481 H48B 109.5 . . ?
H48A C481 H48B 109.5 . . ?
C48 C481 H48C 109.5 . . ?
H48A C481 H48C 109.5 . . ?
H48B C481 H48C 109.5 . . ?
C48 C482 H48D 109.5 . . ?
C48 C482 H48E 109.5 . . ?
H48D C482 H48E 109.5 . . ?
C48 C482 H48F 109.5 . . ?
H48D C482 H48F 109.5 . . ?
H48E C482 H48F 109.5 . . ?
C48 C483 H48G 109.5 . . ?
C48 C483 H48H 109.5 . . ?
H48G C483 H48H 109.5 . . ?
C48 C483 H48I 109.5 . . ?
H48G C483 H48I 109.5 . . ?
H48H C483 H48I 109.5 . . ?
C58 C581 H58A 109.5 . . ?
C58 C581 H58B 109.5 . . ?
H58A C581 H58B 109.5 . . ?
C58 C581 H58C 109.5 . . ?
H58A C581 H58C 109.5 . . ?
H58B C581 H58C 109.5 . . ?
C58 C582 H58D 109.5 . . ?
C58 C582 H58E 109.5 . . ?
H58D C582 H58E 109.5 . . ?
C58 C582 H58F 109.5 . . ?
H58D C582 H58F 109.5 . . ?
H58E C582 H58F 109.5 . . ?
C58 C583 H58G 109.5 . . ?
C58 C583 H58H 109.5 . . ?
H58G C583 H58H 109.5 . . ?
C58 C583 H58I 109.5 . . ?
H58G C583 H58I 109.5 . . ?
H58H C583 H58I 109.5 . . ?
C58 C584 H58J 109.5 . . ?
C58 C584 H58K 109.5 . . ?
H58J C584 H58K 109.5 . . ?
C58 C584 H58L 109.5 . . ?
H58J C584 H58L 109.5 . . ?
H58K C584 H58L 109.5 . . ?
C58 C585 H58M 109.5 . . ?
C58 C585 H58N 109.5 . . ?
H58M C585 H58N 109.5 . . ?
C58 C585 H58O 109.5 . . ?
H58M C585 H58O 109.5 . . ?
H58N C585 H58O 109.5 . . ?
C58 C586 H58P 109.5 . . ?
C58 C586 H58Q 109.5 . . ?
H58P C586 H58Q 109.5 . . ?
C58 C586 H58R 109.5 . . ?
H58P C586 H58R 109.5 . . ?
H58Q C586 H58R 109.5 . . ?
Cl2 C81 Cl1 114.1(5) . . ?
Cl2 C81 H81A 108.7 . . ?
Cl1 C81 H81A 108.7 . . ?
Cl2 C81 H81B 108.7 . . ?
Cl1 C81 H81B 108.7 . . ?
H81A C81 H81B 107.6 . . ?
Cl3 C82 Cl4 115.3(6) . . ?
Cl3 C82 H82A 108.5 . . ?
Cl4 C82 H82A 108.5 . . ?
Cl3 C82 H82B 108.5 . . ?
Cl4 C82 H82B 108.5 . . ?
H82A C82 H82B 107.5 . . ?
Cl5 C83 Cl6 116.9(11) . . ?
Cl5 C83 H83A 108.1 . . ?
Cl6 C83 H83A 108.1 . . ?
Cl5 C83 H83B 108.1 . . ?
Cl6 C83 H83B 108.1 . . ?
H83A C83 H83B 107.3 . . ?
Cl8 C84 Cl7 121.6(12) . . ?
Cl8 C84 H84A 106.9 . . ?
Cl7 C84 H84A 106.9 . . ?
Cl8 C84 H84B 106.9 . . ?
Cl7 C84 H84B 106.9 . . ?
H84A C84 H84B 106.7 . . ?
Cl9 C85 Cl10 115.8(12) . . ?
Cl9 C85 H85A 108.3 . . ?
Cl10 C85 H85A 108.3 . . ?
Cl9 C85 H85B 108.3 . . ?
Cl10 C85 H85B 108.3 . . ?
H85A C85 H85B 107.4 . . ?

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
C61 Au1 C1 N2 105(100) . . . 2_556 ?
C61 Au1 C1 N2 -75(100) . . . . ?
N2 C1 N2 C3 -0.1(2) 2_556 . . . ?
Au1 C1 N2 C3 179.9(2) . . . . ?
N2 C1 N2 C11 179.3(3) 2_556 . . . ?
Au1 C1 N2 C11 -0.7(3) . . . . ?
C1 N2 C3 C3 0.2(5) . . . 2_556 ?
C11 N2 C3 C3 -179.1(4) . . . 2_556 ?
C1 N2 C11 C12 -95.9(4) . . . . ?
C3 N2 C11 C12 83.4(5) . . . . ?
C1 N2 C11 C16 83.5(4) . . . . ?
C3 N2 C11 C16 -97.2(4) . . . . ?
C16 C11 C12 C13 1.5(6) . . . . ?
N2 C11 C12 C13 -179.1(4) . . . . ?
C16 C11 C12 C17 -179.3(4) . . . . ?
N2 C11 C12 C17 0.1(6) . . . . ?
C11 C12 C13 C14 -1.0(7) . . . . ?
C17 C12 C13 C14 179.7(4) . . . . ?
C12 C13 C14 C15 -0.4(7) . . . . ?
C12 C13 C14 C18 -179.7(5) . . . . ?
C13 C14 C15 C16 1.5(7) . . . . ?
C18 C14 C15 C16 -179.2(5) . . . . ?
C14 C15 C16 C11 -1.1(6) . . . . ?
C14 C15 C16 C19 177.9(4) . . . . ?
C12 C11 C16 C15 -0.4(6) . . . . ?
N2 C11 C16 C15 -179.8(3) . . . . ?
C12 C11 C16 C19 -179.4(4) . . . . ?
N2 C11 C16 C19 1.2(5) . . . . ?
C11 C12 C17 C31 -104.0(4) . . . . ?
C13 C12 C17 C31 75.2(5) . . . . ?
C11 C12 C17 C21 125.6(4) . . . . ?
C13 C12 C17 C21 -55.1(5) . . . . ?
C15 C16 C19 C51 -95.3(4) . . . . ?
C11 C16 C19 C51 83.6(4) . . . . ?
C15 C16 C19 C41 34.1(5) . . . . ?
C11 C16 C19 C41 -147.0(3) . . . . ?
C31 C17 C21 C26 -29.5(6) . . . . ?
C12 C17 C21 C26 99.7(5) . . . . ?
C31 C17 C21 C22 150.7(4) . . . . ?
C12 C17 C21 C22 -80.0(5) . . . . ?
C26 C21 C22 C23 -2.9(8) . . . . ?
C17 C21 C22 C23 176.9(5) . . . . ?
C21 C22 C23 C24 2.5(10) . . . . ?
C22 C23 C24 C25 -0.8(10) . . . . ?
C22 C23 C24 C28 -178.0(6) . . . . ?
C23 C24 C25 C26 -0.3(9) . . . . ?
C28 C24 C25 C26 176.8(6) . . . . ?
C22 C21 C26 C25 1.8(8) . . . . ?
C17 C21 C26 C25 -178.0(5) . . . . ?
C24 C25 C26 C21 -0.2(9) . . . . ?
C23 C24 C28 C281 74.2(9) . . . . ?
C25 C24 C28 C281 -102.8(8) . . . . ?
C23 C24 C28 C283 -43.7(9) . . . . ?
C25 C24 C28 C283 139.3(7) . . . . ?
C23 C24 C28 C282 -163.8(7) . . . . ?
C25 C24 C28 C282 19.2(10) . . . . ?
C21 C17 C31 C36 134.6(5) . . . . ?
C12 C17 C31 C36 6.3(6) . . . . ?
C21 C17 C31 C32 -49.3(5) . . . . ?
C12 C17 C31 C32 -177.6(4) . . . . ?
C36 C31 C32 C33 0.2(7) . . . . ?
C17 C31 C32 C33 -176.1(4) . . . . ?
C31 C32 C33 C34 -0.9(8) . . . . ?
C32 C33 C34 C35 0.5(8) . . . . ?
C32 C33 C34 C38 -178.8(5) . . . . ?
C33 C34 C35 C36 0.6(9) . . . . ?
C38 C34 C35 C36 179.9(6) . . . . ?
C32 C31 C36 C35 0.9(8) . . . . ?
C17 C31 C36 C35 177.1(5) . . . . ?
C34 C35 C36 C31 -1.3(10) . . . . ?
C16 C19 C41 C46 -122.4(4) . . . . ?
C51 C19 C41 C46 5.4(6) . . . . ?
C16 C19 C41 C42 58.8(5) . . . . ?
C51 C19 C41 C42 -173.4(4) . . . . ?
C46 C41 C42 C43 -0.6(8) . . . . ?
C19 C41 C42 C43 178.3(5) . . . . ?
C41 C42 C43 C44 -0.3(10) . . . . ?
C42 C43 C44 C45 1.1(9) . . . . ?
C42 C43 C44 C48 178.9(6) . . . . ?
C43 C44 C45 C46 -1.1(8) . . . . ?
C48 C44 C45 C46 -178.9(5) . . . . ?
C42 C41 C46 C45 0.6(7) . . . . ?
C19 C41 C46 C45 -178.2(4) . . . . ?
C44 C45 C46 C41 0.2(8) . . . . ?
C45 C44 C48 C483 -54.4(9) . . . . ?
C43 C44 C48 C483 127.9(8) . . . . ?
C45 C44 C48 C482 178.1(7) . . . . ?
C43 C44 C48 C482 0.4(10) . . . . ?
C45 C44 C48 C481 61.9(8) . . . . ?
C43 C44 C48 C481 -115.8(7) . . . . ?
C16 C19 C51 C52 -137.2(4) . . . . ?
C41 C19 C51 C52 94.3(5) . . . . ?
C16 C19 C51 C56 43.8(5) . . . . ?
C41 C19 C51 C56 -84.7(5) . . . . ?
C56 C51 C52 C53 0.6(8) . . . . ?
C19 C51 C52 C53 -178.4(5) . . . . ?
C51 C52 C53 C54 -0.3(10) . . . . ?
C52 C53 C54 C55 0.3(9) . . . . ?
C52 C53 C54 C58 -179.5(6) . . . . ?
C53 C54 C55 C56 -0.6(8) . . . . ?
C58 C54 C55 C56 179.2(5) . . . . ?
C52 C51 C56 C55 -1.0(7) . . . . ?
C19 C51 C56 C55 178.0(4) . . . . ?
C54 C55 C56 C51 1.0(8) . . . . ?
C53 C54 C58 C585 -42.5(10) . . . . ?
C55 C54 C58 C585 137.7(8) . . . . ?
C53 C54 C58 C582 132.6(18) . . . . ?
C55 C54 C58 C582 -47.2(19) . . . . ?
C53 C54 C58 C583 12(2) . . . . ?
C55 C54 C58 C583 -168(2) . . . . ?
C53 C54 C58 C584 79.0(10) . . . . ?
C55 C54 C58 C584 -100.8(10) . . . . ?
C53 C54 C58 C581 -104(2) . . . . ?
C55 C54 C58 C581 76(2) . . . . ?
C53 C54 C58 C586 -162.3(10) . . . . ?
C55 C54 C58 C586 17.9(11) . . . . ?
C1 Au1 C61 C62 174(100) . . . 2_556 ?
C1 Au1 C61 C62 -6(100) . . . . ?
C62 C61 C62 C63 0.3(4) 2_556 . . . ?
Au1 C61 C62 C63 -179.7(4) . . . . ?
C61 C62 C63 C64 -0.5(9) . . . . ?
C61 C62 C63 C68 179.9(6) . . . . ?
C62 C63 C64 C63 0.3(4) . . . 2_556 ?
C68 C63 C64 C63 179.9(8) . . . 2_556 ?
C62 C63 C68 F2 -45.8(12) . . . . ?
C64 C63 C68 F2 134.6(8) . . . . ?
C62 C63 C68 F3 -178.1(8) . . . . ?
C64 C63 C68 F3 2.3(12) . . . . ?
C62 C63 C68 F1 66.5(9) . . . . ?
C64 C63 C68 F1 -113.1(7) . . . . ?
C35 C34 C38 C384 -56.7(14) . . . . ?
C33 C34 C38 C384 122.5(13) . . . . ?
C35 C34 C38 C381 124.3(11) . . . . ?
C33 C34 C38 C381 -56.4(12) . . . . ?
C35 C34 C38 C382 -114.8(10) . . . . ?
C33 C34 C38 C382 64.5(10) . . . . ?
C35 C34 C38 C383 2.4(12) . . . . ?
C33 C34 C38 C383 -178.3(10) . . . . ?
C35 C34 C38 C385 65.6(13) . . . . ?
C33 C34 C38 C385 -115.2(12) . . . . ?
C35 C34 C38 C386 178.2(11) . . . . ?
C33 C34 C38 C386 -2.5(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.77
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.752
_refine_diff_density_min         -0.905
_refine_diff_density_rms         0.110

#======================================================================