# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2014

data_IB

_publ_requested_journal          Chem.Commun.
_publ_contact_author_name        "Andrea Deák"
_publ_contact_author_address     
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67, 
Hungary
;

_publ_contact_author_email       deak.andrea@ttk.mta.hu
_publ_contact_author_phone       00-36-1-438-1161/327
_publ_contact_author_fax         00-36-1-438-1143
loop_
_publ_author_name
_publ_author_address
"Csaba Jobbágy"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Miklós Molnár"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Péter Baranyai"
; MTA TTK MFI
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Andrea Deák"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;

_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C78 H64 Au2 O2 P4,  2.64(C H2 Cl2), 2(N O3)'
_chemical_formula_sum            'C80.64 H69.28 Au2 Cl5.28 N2 O8 P4'
_chemical_formula_weight         1899.54

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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'

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                   20.897(7)
_cell_length_b                   16.915(3)
_cell_length_c                   21.778(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.437(11)
_cell_angle_gamma                90.00
_cell_volume                     7383(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    108(2)
_cell_measurement_reflns_used    30696
_cell_measurement_theta_min      3.06
_cell_measurement_theta_max      25.02

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.33
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3755.9
_exptl_absorpt_coefficient_mu    4.307
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2174
_exptl_absorpt_correction_T_max  0.3307
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC, 2005)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      108(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  'R Axis Rapid'
_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            28581
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.02
_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.979

_reflns_number_total             6386
_reflns_number_gt                5791
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'WinGX (Farrugia, 1999), PLATON (Spek, 2003)'

_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)+(0.0439P)²+131.7268P] where P=(Fo²+2Fc²)/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_number_reflns         6386
_refine_ls_number_parameters     466
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.0998
_refine_ls_wR_factor_gt          0.0970
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.129
_refine_diff_density_min         -1.681
_refine_diff_density_rms         0.149

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 1.003986(11) 0.642271(12) 0.186029(10) 0.01680(9) Uani 1 1 d . . .
P1 P 0.91273(8) 0.72824(9) 0.15394(7) 0.0180(3) Uani 1 1 d . . .
P2 P 0.91465(8) 0.54573(9) 0.30773(7) 0.0173(3) Uani 1 1 d . . .
O1 O 0.8487(2) 0.5790(2) 0.16639(18) 0.0202(9) Uani 1 1 d . . .
C1 C 0.8523(3) 0.6768(4) 0.0900(3) 0.0189(12) Uani 1 1 d . . .
C1A C 0.8666(3) 0.7607(3) 0.2091(3) 0.0202(13) Uani 1 1 d . . .
C1B C 0.9308(3) 0.8199(4) 0.1187(3) 0.0213(13) Uani 1 1 d . . .
C1C C 0.8368(3) 0.5832(4) 0.3177(3) 0.0209(13) Uani 1 1 d . . .
C1D C 0.9483(3) 0.4829(3) 0.3774(3) 0.0187(12) Uani 1 1 d . . .
C2 C 0.8322(3) 0.7058(4) 0.0276(3) 0.0234(13) Uani 1 1 d . . .
H2 H 0.8459 0.7570 0.0183 0.028 Uiso 1 1 calc R . .
C2A C 0.7985(3) 0.7480(4) 0.1954(3) 0.0229(13) Uani 1 1 d . . .
H2A H 0.7763 0.7156 0.1602 0.027 Uiso 1 1 calc R . .
C2B C 0.8936(4) 0.8882(4) 0.1200(3) 0.0286(15) Uani 1 1 d . . .
H2B H 0.8591 0.8877 0.1406 0.034 Uiso 1 1 calc R . .
C2C C 0.7764(4) 0.5455(5) 0.2914(3) 0.0368(17) Uani 1 1 d . . .
H2C H 0.7738 0.5024 0.2628 0.044 Uiso 1 1 calc R . .
C2D C 0.9141(3) 0.4692(4) 0.4227(3) 0.0227(13) Uani 1 1 d . . .
H2D H 0.8718 0.4929 0.4181 0.027 Uiso 1 1 calc R . .
C3 C 0.7921(3) 0.6596(4) -0.0212(3) 0.0276(14) Uani 1 1 d . . .
H3 H 0.7769 0.6799 -0.0635 0.033 Uiso 1 1 calc R . .
C3A C 0.7625(3) 0.7828(4) 0.2333(3) 0.0280(14) Uani 1 1 d . . .
H3A H 0.7159 0.7737 0.2241 0.034 Uiso 1 1 calc R . .
C3B C 0.9071(4) 0.9565(4) 0.0913(3) 0.0323(16) Uani 1 1 d . . .
H3B H 0.8818 1.0029 0.0922 0.039 Uiso 1 1 calc R . .
C3C C 0.7192(4) 0.5710(6) 0.3069(4) 0.047(2) Uani 1 1 d . . .
H3C H 0.6777 0.5457 0.2880 0.057 Uiso 1 1 calc R . .
C3D C 0.9426(4) 0.4205(4) 0.4749(3) 0.0282(15) Uani 1 1 d . . .
H3D H 0.9199 0.4121 0.5064 0.034 Uiso 1 1 calc R . .
C4 C 0.7744(3) 0.5842(4) -0.0078(3) 0.0262(14) Uani 1 1 d . . .
H4 H 0.7490 0.5522 -0.0419 0.031 Uiso 1 1 calc R . .
C4A C 0.7947(4) 0.8305(4) 0.2843(3) 0.0315(16) Uani 1 1 d . . .
H4A H 0.7699 0.8555 0.3093 0.038 Uiso 1 1 calc R . .
C4B C 0.9574(4) 0.9581(4) 0.0611(3) 0.0328(16) Uani 1 1 d . . .
H4B H 0.9664 1.0054 0.0417 0.039 Uiso 1 1 calc R . .
C4C C 0.7226(4) 0.6320(4) 0.3492(3) 0.0348(17) Uani 1 1 d . . .
H4C H 0.6837 0.6479 0.3603 0.042 Uiso 1 1 calc R . .
C4D C 1.0035(3) 0.3842(4) 0.4815(3) 0.0263(14) Uani 1 1 d . . .
H4D H 1.0219 0.3503 0.5169 0.032 Uiso 1 1 calc R . .
C5 C 0.7926(3) 0.5537(4) 0.0541(3) 0.0215(13) Uani 1 1 d . . .
C5A C 0.8631(4) 0.8420(4) 0.2989(3) 0.0329(16) Uani 1 1 d . . .
H5A H 0.8853 0.8734 0.3348 0.039 Uiso 1 1 calc R . .
C5B C 0.9946(4) 0.8901(4) 0.0593(3) 0.0309(15) Uani 1 1 d . . .
H5B H 1.0289 0.8908 0.0385 0.037 Uiso 1 1 calc R . .
C5C C 0.7825(4) 0.6704(4) 0.3755(3) 0.0312(16) Uani 1 1 d . . .
H5C H 0.7849 0.7130 0.4044 0.037 Uiso 1 1 calc R . .
C5D C 1.0376(3) 0.3974(4) 0.4361(3) 0.0264(14) Uani 1 1 d . . .
H5D H 1.0790 0.3718 0.4399 0.032 Uiso 1 1 calc R . .
C6 C 0.7714(3) 0.4718(4) 0.0706(3) 0.0253(14) Uani 1 1 d . . .
C6A C 0.8990(3) 0.8074(4) 0.2609(3) 0.0269(14) Uani 1 1 d . . .
H6A H 0.9458 0.8158 0.2706 0.032 Uiso 1 1 calc R . .
C6B C 0.9810(3) 0.8210(4) 0.0884(3) 0.0254(14) Uani 1 1 d . . .
H6B H 1.0062 0.7745 0.0874 0.030 Uiso 1 1 calc R . .
C6C C 0.8394(3) 0.6463(4) 0.3595(3) 0.0243(14) Uani 1 1 d . . .
H6C H 0.8805 0.6731 0.3772 0.029 Uiso 1 1 calc R . .
C6D C 1.0109(3) 0.4481(4) 0.3851(3) 0.0233(13) Uani 1 1 d . . .
H6D H 1.0353 0.4593 0.3553 0.028 Uiso 1 1 calc R . .
C7 C 0.8234(3) 0.4439(4) 0.1317(3) 0.0217(13) Uani 1 1 d . . .
C8 C 0.8377(3) 0.3643(4) 0.1446(3) 0.0236(14) Uani 1 1 d . . .
H8 H 0.8198 0.3260 0.1124 0.028 Uiso 1 1 calc R . .
C9 C 0.8777(3) 0.3401(4) 0.2037(3) 0.0270(14) Uani 1 1 d . . .
H9 H 0.8886 0.2858 0.2111 0.032 Uiso 1 1 calc R . .
C10 C 0.9018(3) 0.3946(4) 0.2522(3) 0.0227(13) Uani 1 1 d . . .
H10 H 0.9264 0.3770 0.2935 0.027 Uiso 1 1 calc R . .
C11 C 0.8902(3) 0.4753(3) 0.2407(3) 0.0176(12) Uani 1 1 d . . .
C12 C 0.8541(3) 0.4983(3) 0.1788(3) 0.0181(12) Uani 1 1 d . . .
C13 C 0.8304(3) 0.6018(4) 0.1023(3) 0.0204(13) Uani 1 1 d . . .
C14 C 0.7039(4) 0.4795(5) 0.0853(4) 0.0414(19) Uani 1 1 d . . .
H14A H 0.6713 0.5040 0.0489 0.062 Uiso 1 1 calc R . .
H14B H 0.7093 0.5124 0.1235 0.062 Uiso 1 1 calc R . .
H14C H 0.6881 0.4269 0.0931 0.062 Uiso 1 1 calc R . .
C15 C 0.7650(4) 0.4144(4) 0.0147(3) 0.0395(18) Uani 1 1 d . . .
H15A H 0.8056 0.4166 0.0007 0.059 Uiso 1 1 calc R . .
H15B H 0.7265 0.4293 -0.0209 0.059 Uiso 1 1 calc R . .
H15C H 0.7588 0.3605 0.0286 0.059 Uiso 1 1 calc R . .
O2 O 0.5953(4) 0.6337(3) 0.4524(4) 0.0646(19) Uani 1 1 d . . .
O3 O 0.6580(4) 0.7357(3) 0.4582(3) 0.066(2) Uani 1 1 d . . .
O4 O 0.5998(4) 0.7229(4) 0.5226(3) 0.0632(18) Uani 1 1 d . . .
N1 N 0.6177(3) 0.6975(3) 0.4769(3) 0.0355(14) Uani 1 1 d . . .
C16 C 0.5546(8) 0.6976(13) 0.1018(6) 0.174(14) Uani 0.821(8) 1 d PD . .
H16A H 0.5282 0.6506 0.0825 0.209 Uiso 0.821(8) 1 calc PR . .
H16B H 0.5406 0.7410 0.0704 0.209 Uiso 0.821(8) 1 calc PR . .
Cl1 Cl 0.6296(2) 0.6782(4) 0.1048(2) 0.140(3) Uani 0.821(8) 1 d PD . .
Cl2 Cl 0.5278(4) 0.7231(3) 0.1663(2) 0.148(3) Uani 0.821(8) 1 d PD . .
C17 C 0.4951(17) 0.573(2) 0.2299(17) 0.221(4) Uani 0.50 1 d PD . .
H17A H 0.4632 0.5902 0.1893 0.266 Uiso 0.50 1 calc PR . .
H17B H 0.5178 0.6191 0.2540 0.266 Uiso 0.50 1 calc PR . .
Cl3 Cl 0.5505(2) 0.5059(4) 0.2169(3) 0.221(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 P2 2.3336(16) 2_755 ?
Au1 P1 2.3421(16) . ?
Au1 Au1 2.8380(8) 2_755 ?
P1 C1B 1.816(6) . ?
P1 C1 1.816(6) . ?
P1 C1A 1.824(6) . ?
P2 C1C 1.816(6) . ?
P2 C1D 1.822(6) . ?
P2 C11 1.841(6) . ?
P2 Au1 2.3336(16) 2_755 ?
O1 C12 1.389(7) . ?
O1 C13 1.393(7) . ?
C1 C2 1.394(8) . ?
C1 C13 1.399(9) . ?
C1A C2A 1.385(9) . ?
C1A C6A 1.388(9) . ?
C1B C6B 1.388(9) . ?
C1B C2B 1.399(9) . ?
C1C C2C 1.384(9) . ?
C1C C6C 1.393(9) . ?
C1D C2D 1.392(8) . ?
C1D C6D 1.402(9) . ?
C2 C3 1.392(9) . ?
C2 H2 0.9500 . ?
C2A C3A 1.395(9) . ?
C2A H2A 0.9500 . ?
C2B C3B 1.381(10) . ?
C2B H2B 0.9500 . ?
C2C C3C 1.398(11) . ?
C2C H2C 0.9500 . ?
C2D C3D 1.394(9) . ?
C2D H2D 0.9500 . ?
C3 C4 1.382(10) . ?
C3 H3 0.9500 . ?
C3A C4A 1.384(10) . ?
C3A H3A 0.9500 . ?
C3B C4B 1.388(10) . ?
C3B H3B 0.9500 . ?
C3C C4C 1.372(11) . ?
C3C H3C 0.9500 . ?
C3D C4D 1.383(10) . ?
C3D H3D 0.9500 . ?
C4 C5 1.392(9) . ?
C4 H4 0.9500 . ?
C4A C5A 1.386(10) . ?
C4A H4A 0.9500 . ?
C4B C5B 1.395(10) . ?
C4B H4B 0.9500 . ?
C4C C5C 1.383(11) . ?
C4C H4C 0.9500 . ?
C4D C5D 1.392(9) . ?
C4D H4D 0.9500 . ?
C5 C13 1.386(9) . ?
C5 C6 1.527(9) . ?
C5A C6A 1.394(9) . ?
C5A H5A 0.9500 . ?
C5B C6B 1.397(9) . ?
C5B H5B 0.9500 . ?
C5C C6C 1.391(10) . ?
C5C H5C 0.9500 . ?
C5D C6D 1.388(9) . ?
C5D H5D 0.9500 . ?
C6 C15 1.533(9) . ?
C6 C7 1.536(8) . ?
C6 C14 1.539(10) . ?
C6A H6A 0.9500 . ?
C6B H6B 0.9500 . ?
C6C H6C 0.9500 . ?
C6D H6D 0.9500 . ?
C7 C8 1.391(9) . ?
C7 C12 1.391(8) . ?
C8 C9 1.384(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.384(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.396(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.401(8) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
O2 N1 1.236(8) . ?
O3 N1 1.217(8) . ?
O4 N1 1.235(8) . ?
C16 Cl1 1.584(14) . ?
C16 Cl2 1.709(13) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 Cl3 1.696(19) . ?
C17 Cl3 2.04(5) 2_655 ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
Cl3 C17 2.04(5) 2_655 ?

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
P2 Au1 P1 165.98(5) 2_755 . ?
P2 Au1 Au1 100.78(4) 2_755 2_755 ?
P1 Au1 Au1 91.37(4) . 2_755 ?
C1B P1 C1 105.5(3) . . ?
C1B P1 C1A 103.5(3) . . ?
C1 P1 C1A 105.4(3) . . ?
C1B P1 Au1 114.0(2) . . ?
C1 P1 Au1 105.21(19) . . ?
C1A P1 Au1 121.85(19) . . ?
C1C P2 C1D 104.5(3) . . ?
C1C P2 C11 105.3(3) . . ?
C1D P2 C11 103.8(3) . . ?
C1C P2 Au1 114.3(2) . 2_755 ?
C1D P2 Au1 104.9(2) . 2_755 ?
C11 P2 Au1 122.18(19) . 2_755 ?
C12 O1 C13 116.8(4) . . ?
C2 C1 C13 118.8(6) . . ?
C2 C1 P1 122.1(5) . . ?
C13 C1 P1 118.8(4) . . ?
C2A C1A C6A 119.9(6) . . ?
C2A C1A P1 121.0(5) . . ?
C6A C1A P1 118.6(5) . . ?
C6B C1B C2B 119.9(6) . . ?
C6B C1B P1 119.2(5) . . ?
C2B C1B P1 120.9(5) . . ?
C2C C1C C6C 119.1(6) . . ?
C2C C1C P2 122.2(5) . . ?
C6C C1C P2 118.3(5) . . ?
C2D C1D C6D 119.6(5) . . ?
C2D C1D P2 122.2(5) . . ?
C6D C1D P2 118.2(4) . . ?
C3 C2 C1 119.7(6) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C1A C2A C3A 120.1(6) . . ?
C1A C2A H2A 120.0 . . ?
C3A C2A H2A 120.0 . . ?
C3B C2B C1B 119.7(7) . . ?
C3B C2B H2B 120.1 . . ?
C1B C2B H2B 120.1 . . ?
C1C C2C C3C 119.9(7) . . ?
C1C C2C H2C 120.0 . . ?
C3C C2C H2C 120.0 . . ?
C1D C2D C3D 119.3(6) . . ?
C1D C2D H2D 120.3 . . ?
C3D C2D H2D 120.3 . . ?
C4 C3 C2 119.8(6) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C4A C3A C2A 120.0(6) . . ?
C4A C3A H3A 120.0 . . ?
C2A C3A H3A 120.0 . . ?
C2B C3B C4B 120.6(6) . . ?
C2B C3B H3B 119.7 . . ?
C4B C3B H3B 119.7 . . ?
C4C C3C C2C 120.6(7) . . ?
C4C C3C H3C 119.7 . . ?
C2C C3C H3C 119.7 . . ?
C4D C3D C2D 121.1(6) . . ?
C4D C3D H3D 119.5 . . ?
C2D C3D H3D 119.5 . . ?
C3 C4 C5 122.1(6) . . ?
C3 C4 H4 119.0 . . ?
C5 C4 H4 119.0 . . ?
C3A C4A C5A 120.1(6) . . ?
C3A C4A H4A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C3B C4B C5B 120.0(6) . . ?
C3B C4B H4B 120.0 . . ?
C5B C4B H4B 120.0 . . ?
C3C C4C C5C 120.0(7) . . ?
C3C C4C H4C 120.0 . . ?
C5C C4C H4C 120.0 . . ?
C3D C4D C5D 119.7(6) . . ?
C3D C4D H4D 120.2 . . ?
C5D C4D H4D 120.2 . . ?
C13 C5 C4 117.2(6) . . ?
C13 C5 C6 119.7(5) . . ?
C4 C5 C6 123.1(6) . . ?
C4A C5A C6A 119.9(6) . . ?
C4A C5A H5A 120.1 . . ?
C6A C5A H5A 120.1 . . ?
C4B C5B C6B 119.4(7) . . ?
C4B C5B H5B 120.3 . . ?
C6B C5B H5B 120.3 . . ?
C4C C5C C6C 119.8(6) . . ?
C4C C5C H5C 120.1 . . ?
C6C C5C H5C 120.1 . . ?
C6D C5D C4D 119.9(6) . . ?
C6D C5D H5D 120.1 . . ?
C4D C5D H5D 120.1 . . ?
C5 C6 C15 110.7(5) . . ?
C5 C6 C7 107.5(5) . . ?
C15 C6 C7 112.0(6) . . ?
C5 C6 C14 108.5(6) . . ?
C15 C6 C14 109.9(6) . . ?
C7 C6 C14 108.1(5) . . ?
C1A C6A C5A 120.1(6) . . ?
C1A C6A H6A 120.0 . . ?
C5A C6A H6A 120.0 . . ?
C1B C6B C5B 120.3(6) . . ?
C1B C6B H6B 119.8 . . ?
C5B C6B H6B 119.8 . . ?
C5C C6C C1C 120.6(6) . . ?
C5C C6C H6C 119.7 . . ?
C1C C6C H6C 119.7 . . ?
C5D C6D C1D 120.3(6) . . ?
C5D C6D H6D 119.8 . . ?
C1D C6D H6D 119.8 . . ?
C8 C7 C12 117.7(6) . . ?
C8 C7 C6 122.1(6) . . ?
C12 C7 C6 120.1(6) . . ?
C9 C8 C7 120.8(6) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 120.5(6) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C9 C10 C11 120.5(6) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 117.5(5) . . ?
C10 C11 P2 119.7(4) . . ?
C12 C11 P2 122.4(4) . . ?
O1 C12 C7 120.7(5) . . ?
O1 C12 C11 116.9(5) . . ?
C7 C12 C11 122.4(5) . . ?
C5 C13 O1 122.1(5) . . ?
C5 C13 C1 122.3(5) . . ?
O1 C13 C1 115.6(5) . . ?
C6 C14 H14A 109.5 . . ?
C6 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C6 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C6 C15 H15A 109.5 . . ?
C6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O3 N1 O4 118.7(7) . . ?
O3 N1 O2 122.2(7) . . ?
O4 N1 O2 119.1(7) . . ?
Cl1 C16 Cl2 124.7(9) . . ?
Cl1 C16 H16A 106.2 . . ?
Cl2 C16 H16A 106.2 . . ?
Cl1 C16 H16B 106.2 . . ?
Cl2 C16 H16B 106.2 . . ?
H16A C16 H16B 106.4 . . ?
Cl3 C17 Cl3 100(2) . 2_655 ?
Cl3 C17 H17A 111.7 . . ?
Cl3 C17 H17A 111.7 2_655 . ?
Cl3 C17 H17B 111.7 . . ?
Cl3 C17 H17B 111.7 2_655 . ?
H17A C17 H17B 109.5 . . ?

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
P2 Au1 P1 C1B -87.9(3) 2_755 . . . ?
Au1 Au1 P1 C1B 121.9(2) 2_755 . . . ?
P2 Au1 P1 C1 27.2(3) 2_755 . . . ?
Au1 Au1 P1 C1 -123.0(2) 2_755 . . . ?
P2 Au1 P1 C1A 146.8(3) 2_755 . . . ?
Au1 Au1 P1 C1A -3.4(2) 2_755 . . . ?
C1B P1 C1 C2 4.3(6) . . . . ?
C1A P1 C1 C2 113.5(5) . . . . ?
Au1 P1 C1 C2 -116.5(5) . . . . ?
C1B P1 C1 C13 177.7(5) . . . . ?
C1A P1 C1 C13 -73.2(5) . . . . ?
Au1 P1 C1 C13 56.8(5) . . . . ?
C1B P1 C1A C2A 107.1(5) . . . . ?
C1 P1 C1A C2A -3.5(6) . . . . ?
Au1 P1 C1A C2A -123.0(5) . . . . ?
C1B P1 C1A C6A -64.6(5) . . . . ?
C1 P1 C1A C6A -175.2(5) . . . . ?
Au1 P1 C1A C6A 65.3(5) . . . . ?
C1 P1 C1B C6B -87.7(5) . . . . ?
C1A P1 C1B C6B 161.7(5) . . . . ?
Au1 P1 C1B C6B 27.2(5) . . . . ?
C1 P1 C1B C2B 90.3(5) . . . . ?
C1A P1 C1B C2B -20.3(6) . . . . ?
Au1 P1 C1B C2B -154.8(5) . . . . ?
C1D P2 C1C C2C -92.4(6) . . . . ?
C11 P2 C1C C2C 16.6(6) . . . . ?
Au1 P2 C1C C2C 153.5(5) 2_755 . . . ?
C1D P2 C1C C6C 79.8(5) . . . . ?
C11 P2 C1C C6C -171.1(5) . . . . ?
Au1 P2 C1C C6C -34.2(5) 2_755 . . . ?
C1C P2 C1D C2D 2.8(6) . . . . ?
C11 P2 C1D C2D -107.4(5) . . . . ?
Au1 P2 C1D C2D 123.4(5) 2_755 . . . ?
C1C P2 C1D C6D -176.8(5) . . . . ?
C11 P2 C1D C6D 73.1(5) . . . . ?
Au1 P2 C1D C6D -56.2(5) 2_755 . . . ?
C13 C1 C2 C3 -1.1(9) . . . . ?
P1 C1 C2 C3 172.2(5) . . . . ?
C6A C1A C2A C3A 0.7(9) . . . . ?
P1 C1A C2A C3A -170.9(5) . . . . ?
C6B C1B C2B C3B -0.2(10) . . . . ?
P1 C1B C2B C3B -178.2(5) . . . . ?
C6C C1C C2C C3C -0.1(11) . . . . ?
P2 C1C C2C C3C 172.1(6) . . . . ?
C6D C1D C2D C3D -0.5(9) . . . . ?
P2 C1D C2D C3D 180.0(5) . . . . ?
C1 C2 C3 C4 -2.3(10) . . . . ?
C1A C2A C3A C4A 0.5(10) . . . . ?
C1B C2B C3B C4B 0.0(11) . . . . ?
C1C C2C C3C C4C -1.4(13) . . . . ?
C1D C2D C3D C4D -1.5(10) . . . . ?
C2 C3 C4 C5 3.3(10) . . . . ?
C2A C3A C4A C5A -1.8(10) . . . . ?
C2B C3B C4B C5B 0.3(11) . . . . ?
C2C C3C C4C C5C 1.7(12) . . . . ?
C2D C3D C4D C5D 1.2(10) . . . . ?
C3 C4 C5 C13 -0.8(10) . . . . ?
C3 C4 C5 C6 177.5(6) . . . . ?
C3A C4A C5A C6A 2.0(11) . . . . ?
C3B C4B C5B C6B -0.3(11) . . . . ?
C3C C4C C5C C6C -0.7(11) . . . . ?
C3D C4D C5D C6D 1.2(10) . . . . ?
C13 C5 C6 C15 -149.8(6) . . . . ?
C4 C5 C6 C15 32.0(9) . . . . ?
C13 C5 C6 C7 -27.1(8) . . . . ?
C4 C5 C6 C7 154.6(6) . . . . ?
C13 C5 C6 C14 89.6(7) . . . . ?
C4 C5 C6 C14 -88.7(7) . . . . ?
C2A C1A C6A C5A -0.5(9) . . . . ?
P1 C1A C6A C5A 171.3(5) . . . . ?
C4A C5A C6A C1A -0.9(10) . . . . ?
C2B C1B C6B C5B 0.2(9) . . . . ?
P1 C1B C6B C5B 178.2(5) . . . . ?
C4B C5B C6B C1B 0.1(10) . . . . ?
C4C C5C C6C C1C -0.8(10) . . . . ?
C2C C1C C6C C5C 1.1(9) . . . . ?
P2 C1C C6C C5C -171.4(5) . . . . ?
C4D C5D C6D C1D -3.3(10) . . . . ?
C2D C1D C6D C5D 2.9(9) . . . . ?
P2 C1D C6D C5D -177.5(5) . . . . ?
C5 C6 C7 C8 -150.8(6) . . . . ?
C15 C6 C7 C8 -29.0(9) . . . . ?
C14 C6 C7 C8 92.3(7) . . . . ?
C5 C6 C7 C12 34.4(8) . . . . ?
C15 C6 C7 C12 156.3(6) . . . . ?
C14 C6 C7 C12 -82.5(7) . . . . ?
C12 C7 C8 C9 3.9(9) . . . . ?
C6 C7 C8 C9 -170.9(6) . . . . ?
C7 C8 C9 C10 2.9(10) . . . . ?
C8 C9 C10 C11 -4.7(10) . . . . ?
C9 C10 C11 C12 -0.4(9) . . . . ?
C9 C10 C11 P2 173.3(5) . . . . ?
C1C P2 C11 C10 -111.3(5) . . . . ?
C1D P2 C11 C10 -1.7(6) . . . . ?
Au1 P2 C11 C10 116.1(5) 2_755 . . . ?
C1C P2 C11 C12 62.1(5) . . . . ?
C1D P2 C11 C12 171.7(5) . . . . ?
Au1 P2 C11 C12 -70.5(5) 2_755 . . . ?
C13 O1 C12 C7 -19.3(8) . . . . ?
C13 O1 C12 C11 162.0(5) . . . . ?
C8 C7 C12 O1 172.1(5) . . . . ?
C6 C7 C12 O1 -13.0(9) . . . . ?
C8 C7 C12 C11 -9.3(9) . . . . ?
C6 C7 C12 C11 165.6(6) . . . . ?
C10 C11 C12 O1 -173.8(5) . . . . ?
P2 C11 C12 O1 12.7(8) . . . . ?
C10 C11 C12 C7 7.5(9) . . . . ?
P2 C11 C12 C7 -165.9(5) . . . . ?
C4 C5 C13 O1 176.8(5) . . . . ?
C6 C5 C13 O1 -1.6(9) . . . . ?
C4 C5 C13 C1 -2.8(9) . . . . ?
C6 C5 C13 C1 178.9(6) . . . . ?
C12 O1 C13 C5 27.1(8) . . . . ?
C12 O1 C13 C1 -153.3(5) . . . . ?
C2 C1 C13 C5 3.8(9) . . . . ?
P1 C1 C13 C5 -169.8(5) . . . . ?
C2 C1 C13 O1 -175.8(5) . . . . ?
P1 C1 C13 O1 10.6(7) . . . . ?
Cl3 C17 Cl3 C17 -56(3) 2_655 . . 2_655 ?


_database_code_depnum_ccdc_archive 'CCDC 942202'
data_IIG

_publ_requested_journal          Chem.Commun.
_publ_contact_author_name        "Andrea Deák"
_publ_contact_author_address     
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67, 
Hungary
;

_publ_contact_author_email       deak.andrea@ttk.mta.hu
_publ_contact_author_phone       00-36-1-438-1161/327
_publ_contact_author_fax         00-36-1-438-1143
loop_
_publ_author_name
_publ_author_address
"Csaba Jobbágy"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Miklós Molnár"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Péter Baranyai"
; MTA TTK MFI
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Andrea Deák"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C78 H64 Au2 O2 P4,  0.47(C2 H4 Cl4), 2(N O3),  3.76(C H2 Cl2)'
_chemical_formula_sum            'C82.69 H73.38 Au2 Cl9.38 N2 O8 P4'
_chemical_formula_weight         2073.64

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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'

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                   28.247(5)
_cell_length_b                   18.297(4)
_cell_length_c                   18.992(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 121.566(8)
_cell_angle_gamma                90.00
_cell_volume                     8363(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    50307
_cell_measurement_theta_min      2.98
_cell_measurement_theta_max      25.02




_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.58
_exptl_crystal_size_min          0.29
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4100.3
_exptl_absorpt_coefficient_mu    3.936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1873
_exptl_absorpt_correction_T_max  0.3948
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC, 2005)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      113(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  'R Axis Rapid'
_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            7367
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2614
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_theta_min         2.98
_diffrn_reflns_theta_max         25.02
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.998

_reflns_number_total             7367
_reflns_number_gt                2804
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'WinGX (Farrugia, 1999), PLATON (Spek, 2003)'

_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)+(0.0000P)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_number_reflns         7367
_refine_ls_number_parameters     497
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0403
_refine_ls_wR_factor_ref         0.0790
_refine_ls_wR_factor_gt          0.0617
_refine_ls_goodness_of_fit_ref   0.718
_refine_ls_restrained_S_all      0.735
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.779
_refine_diff_density_min         -1.013
_refine_diff_density_rms         0.129

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 1.056986(12) 0.229439(19) 0.772813(19) 0.02051(10) Uani 1 1 d . . .
P1 P 0.91491(7) 0.15954(11) 0.60871(12) 0.0219(4) Uani 1 1 d . . .
P2 P 1.05751(8) 0.31722(11) 0.68424(12) 0.0211(4) Uani 1 1 d . . .
O1 O 0.9355(2) 0.3017(3) 0.5574(3) 0.0237(12) Uani 1 1 d . . .
C1 C 0.8639(3) 0.2167(4) 0.5254(5) 0.0237(17) Uani 1 1 d . . .
C2 C 0.8071(3) 0.1982(5) 0.4801(5) 0.0256(18) Uani 1 1 d . . .
H2 H 0.7954 0.1519 0.4882 0.031 Uiso 1 1 calc R . .
C3 C 0.7683(3) 0.2465(4) 0.4243(5) 0.030(2) Uani 1 1 d . . .
H3 H 0.7303 0.2328 0.3939 0.036 Uiso 1 1 calc R . .
C4 C 0.7834(3) 0.3129(6) 0.4119(5) 0.038(2) Uani 1 1 d . . .
H4 H 0.7557 0.3452 0.3728 0.046 Uiso 1 1 calc R . .
C5 C 0.8404(3) 0.3358(4) 0.4568(5) 0.0227(17) Uani 1 1 d . . .
C6 C 0.8609(3) 0.4096(4) 0.4449(4) 0.0231(17) Uani 1 1 d . . .
C7 C 0.9127(3) 0.4299(5) 0.5268(5) 0.033(2) Uani 1 1 d . . .
C8 C 0.9284(3) 0.5008(5) 0.5542(6) 0.038(2) Uani 1 1 d . . .
H8 H 0.9030 0.5395 0.5257 0.045 Uiso 1 1 calc R . .
C9 C 0.9795(4) 0.5166(5) 0.6210(6) 0.043(2) Uani 1 1 d . . .
H9 H 0.9888 0.5658 0.6392 0.052 Uiso 1 1 calc R . .
C10 C 1.0188(4) 0.4606(5) 0.6635(6) 0.036(2) Uani 1 1 d . . .
H10 H 1.0550 0.4723 0.7084 0.043 Uiso 1 1 calc R . .
C11 C 1.0043(3) 0.3879(5) 0.6394(5) 0.030(2) Uani 1 1 d . . .
C12 C 0.9508(3) 0.3734(4) 0.5752(5) 0.0231(18) Uani 1 1 d . . .
C13 C 0.8790(3) 0.2856(5) 0.5125(5) 0.0255(18) Uani 1 1 d . . .
C14 C 0.8785(4) 0.3983(6) 0.3806(5) 0.043(2) Uani 1 1 d . . .
H14A H 0.8960 0.4430 0.3765 0.064 Uiso 1 1 calc R . .
H14B H 0.8456 0.3871 0.3265 0.064 Uiso 1 1 calc R . .
H14C H 0.9050 0.3577 0.3982 0.064 Uiso 1 1 calc R . .
C15 C 0.8156(3) 0.4699(4) 0.4128(5) 0.030(2) Uani 1 1 d . . .
H15A H 0.8020 0.4746 0.4507 0.044 Uiso 1 1 calc R . .
H15B H 0.7846 0.4567 0.3577 0.044 Uiso 1 1 calc R . .
H15C H 0.8315 0.5166 0.4098 0.044 Uiso 1 1 calc R . .
C1A C 0.9652(3) 0.1308(4) 0.5824(5) 0.0275(18) Uani 1 1 d . . .
C2A C 0.9561(3) 0.1457(5) 0.5046(5) 0.0290(19) Uani 1 1 d . . .
H2A H 0.9251 0.1743 0.4664 0.035 Uiso 1 1 calc R . .
C3A C 0.9937(4) 0.1179(5) 0.4828(6) 0.036(2) Uani 1 1 d . . .
H3A H 0.9882 0.1280 0.4299 0.043 Uiso 1 1 calc R . .
C4A C 1.0384(4) 0.0760(5) 0.5392(6) 0.039(2) Uani 1 1 d . . .
H4A H 1.0633 0.0566 0.5245 0.047 Uiso 1 1 calc R . .
C5A C 1.0471(4) 0.0620(5) 0.6168(6) 0.042(3) Uani 1 1 d . . .
H5A H 1.0784 0.0337 0.6550 0.050 Uiso 1 1 calc R . .
C6A C 1.0111(3) 0.0883(5) 0.6399(6) 0.031(2) Uani 1 1 d . . .
H6A H 1.0172 0.0780 0.6931 0.037 Uiso 1 1 calc R . .
C1B C 0.8796(3) 0.0761(4) 0.6042(5) 0.0205(17) Uani 1 1 d . . .
C2B C 0.8672(3) 0.0244(5) 0.5426(5) 0.031(2) Uani 1 1 d . . .
H2B H 0.8781 0.0333 0.5037 0.037 Uiso 1 1 calc R . .
C3B C 0.8396(3) -0.0393(5) 0.5376(6) 0.040(2) Uani 1 1 d . . .
H3B H 0.8318 -0.0744 0.4960 0.048 Uiso 1 1 calc R . .
C4B C 0.8229(3) -0.0517(5) 0.5952(6) 0.040(2) Uani 1 1 d . . .
H4B H 0.8029 -0.0948 0.5910 0.048 Uiso 1 1 calc R . .
C5B C 0.8355(3) -0.0019(5) 0.6576(6) 0.038(2) Uani 1 1 d . . .
H5B H 0.8260 -0.0121 0.6977 0.046 Uiso 1 1 calc R . .
C6B C 0.8631(3) 0.0654(5) 0.6615(5) 0.0293(19) Uani 1 1 d . . .
H6B H 0.8699 0.1016 0.7016 0.035 Uiso 1 1 calc R . .
C1C C 1.0651(3) 0.2864(4) 0.6001(5) 0.0272(19) Uani 1 1 d . . .
C2C C 1.0385(4) 0.3134(4) 0.5214(5) 0.033(2) Uani 1 1 d . . .
H2C H 1.0113 0.3504 0.5074 0.040 Uiso 1 1 calc R . .
C3C C 1.0481(4) 0.2909(5) 0.4613(5) 0.039(2) Uani 1 1 d . . .
H3C H 1.0266 0.3093 0.4065 0.047 Uiso 1 1 calc R . .
C4C C 1.0903(4) 0.2404(6) 0.4824(6) 0.049(3) Uani 1 1 d . . .
H4C H 1.0987 0.2244 0.4426 0.059 Uiso 1 1 calc R . .
C5C C 1.1206(4) 0.2132(5) 0.5650(6) 0.045(2) Uani 1 1 d . . .
H5C H 1.1509 0.1809 0.5813 0.054 Uiso 1 1 calc R . .
C6C C 1.1065(3) 0.2327(6) 0.6201(5) 0.040(2) Uani 1 1 d . . .
H6C H 1.1246 0.2103 0.6731 0.048 Uiso 1 1 calc R . .
C1D C 1.1223(3) 0.3683(4) 0.7507(5) 0.030(2) Uani 1 1 d . . .
C2D C 1.1531(3) 0.3966(5) 0.7209(5) 0.035(2) Uani 1 1 d . . .
H2D H 1.1416 0.3896 0.6646 0.042 Uiso 1 1 calc R . .
C3D C 1.2014(3) 0.4357(6) 0.7733(6) 0.041(2) Uani 1 1 d . . .
H3D H 1.2240 0.4523 0.7533 0.050 Uiso 1 1 calc R . .
C4D C 1.2167(3) 0.4505(5) 0.8529(5) 0.035(2) Uani 1 1 d . . .
H4D H 1.2482 0.4803 0.8864 0.042 Uiso 1 1 calc R . .
C5D C 1.1857(4) 0.4215(5) 0.8857(6) 0.044(2) Uani 1 1 d . . .
H5D H 1.1977 0.4287 0.9422 0.053 Uiso 1 1 calc R . .
C6D C 1.1381(4) 0.3830(5) 0.8346(5) 0.037(2) Uani 1 1 d . . .
H6D H 1.1156 0.3659 0.8547 0.045 Uiso 1 1 calc R . .
N1 N 0.7973(3) 0.0785(4) 0.8113(4) 0.0355(18) Uani 1 1 d . . .
O2 O 0.7624(3) 0.1018(4) 0.8269(5) 0.061(2) Uani 1 1 d . . .
O3 O 0.8070(3) 0.1109(4) 0.7618(4) 0.0536(19) Uani 1 1 d . . .
O4 O 0.8219(3) 0.0202(5) 0.8425(5) 0.060(2) Uani 1 1 d . . .
C16 C 0.6614(5) 0.1458(8) 0.8418(8) 0.067(3) Uani 1 1 d . . .
H16A H 0.6795 0.1091 0.8253 0.081 Uiso 1 1 calc R . .
H16B H 0.6675 0.1947 0.8256 0.081 Uiso 1 1 calc R . .
Cl1 Cl 0.59076(19) 0.1281(3) 0.7920(3) 0.1193(17) Uani 1 1 d . . .
Cl2 Cl 0.6902(2) 0.1427(5) 0.9472(2) 0.168(3) Uani 1 1 d . . .
C17 C 0.7322(5) 0.2884(13) 0.7675(11) 0.107(8) Uani 0.881(12) 1 d P . .
H17A H 0.7424 0.2361 0.7720 0.128 Uiso 0.881(12) 1 calc PR . .
H17B H 0.7471 0.3135 0.7371 0.128 Uiso 0.881(12) 1 calc PR . .
Cl3 Cl 0.75890(19) 0.3201(3) 0.8527(3) 0.097(2) Uani 0.881(12) 1 d P . .
Cl4 Cl 0.6550(3) 0.2964(3) 0.7070(3) 0.143(3) Uani 0.881(12) 1 d P . .
C18 C 1.0517(17) 0.1141(12) 0.249(3) 0.163(5) Uani 0.465(11) 1 d PD . .
H18A H 1.0341 0.1005 0.1897 0.195 Uiso 0.465(11) 1 calc PR . .
H18B H 1.0917 0.1017 0.2774 0.195 Uiso 0.465(11) 1 calc PR . .
Cl5 Cl 1.0235(7) 0.0727(7) 0.2887(7) 0.163(5) Uani 0.465(11) 1 d PD . .
Cl6 Cl 1.0436(7) 0.2028(6) 0.2575(7) 0.163(5) Uani 0.465(11) 1 d PD . .


_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 P2 2.332(2) . ?
Au1 P1 2.336(2) 2_756 ?
Au1 Au1 2.8626(8) 2_756 ?
P1 C1B 1.801(7) . ?
P1 C1A 1.812(9) . ?
P1 C1 1.813(8) . ?
P1 Au1 2.336(2) 2_756 ?
P2 C1C 1.810(8) . ?
P2 C11 1.820(9) . ?
P2 C1D 1.844(8) . ?
O1 C12 1.368(9) . ?
O1 C13 1.391(9) . ?
C1 C13 1.395(12) . ?
C1 C2 1.408(11) . ?
C2 C3 1.373(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.349(12) . ?
C3 H3 0.9500 . ?
C4 C5 1.436(12) . ?
C4 H4 0.9500 . ?
C5 C13 1.394(10) . ?
C5 C6 1.531(11) . ?
C6 C7 1.522(11) . ?
C6 C15 1.554(10) . ?
C6 C14 1.554(12) . ?
C7 C8 1.382(13) . ?
C7 C12 1.427(11) . ?
C8 C9 1.363(13) . ?
C8 H8 0.9500 . ?
C9 C10 1.414(13) . ?
C9 H9 0.9500 . ?
C10 C11 1.396(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(11) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C1A C2A 1.388(12) . ?
C1A C6A 1.412(12) . ?
C2A C3A 1.420(12) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.384(13) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.385(15) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.388(14) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C2B 1.400(11) . ?
C1B C6B 1.403(12) . ?
C2B C3B 1.378(12) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.417(14) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.386(13) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.437(12) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C2C 1.367(11) . ?
C1C C6C 1.418(12) . ?
C2C C3C 1.369(13) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.389(13) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.428(14) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.347(13) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
C1D C2D 1.361(12) . ?
C1D C6D 1.438(13) . ?
C2D C3D 1.394(12) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.364(13) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.416(14) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.370(13) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
N1 O4 1.241(10) . ?
N1 O2 1.245(11) . ?
N1 O3 1.257(10) . ?
C16 Cl2 1.723(14) . ?
C16 Cl1 1.734(13) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 Cl3 1.50(2) . ?
C17 Cl4 1.863(14) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 Cl5 1.56(2) . ?
C18 Cl6 1.66(2) . ?
C18 Cl5 2.00(4) 2_755 ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
Cl5 Cl5 1.37(2) 2_755 ?
Cl5 C18 2.00(4) 2_755 ?
Cl6 Cl6 2.32(4) 2_755 ?

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
P2 Au1 P1 160.85(6) . 2_756 ?
P2 Au1 Au1 102.27(5) . 2_756 ?
P1 Au1 Au1 93.03(5) 2_756 2_756 ?
C1B P1 C1A 103.6(4) . . ?
C1B P1 C1 106.2(3) . . ?
C1A P1 C1 107.9(4) . . ?
C1B P1 Au1 114.2(3) . 2_756 ?
C1A P1 Au1 120.3(3) . 2_756 ?
C1 P1 Au1 103.8(2) . 2_756 ?
C1C P2 C11 105.0(4) . . ?
C1C P2 C1D 103.2(4) . . ?
C11 P2 C1D 103.9(4) . . ?
C1C P2 Au1 118.1(3) . . ?
C11 P2 Au1 120.8(3) . . ?
C1D P2 Au1 103.6(3) . . ?
C12 O1 C13 117.8(6) . . ?
C13 C1 C2 117.8(7) . . ?
C13 C1 P1 119.9(5) . . ?
C2 C1 P1 121.8(6) . . ?
C3 C2 C1 120.7(8) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C4 C3 C2 121.2(8) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C3 C4 C5 121.1(7) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C13 C5 C4 116.6(7) . . ?
C13 C5 C6 119.1(6) . . ?
C4 C5 C6 124.2(7) . . ?
C7 C6 C5 107.4(6) . . ?
C7 C6 C15 112.4(7) . . ?
C5 C6 C15 112.8(6) . . ?
C7 C6 C14 107.7(7) . . ?
C5 C6 C14 107.4(7) . . ?
C15 C6 C14 108.9(6) . . ?
C8 C7 C12 116.8(7) . . ?
C8 C7 C6 124.2(7) . . ?
C12 C7 C6 118.7(7) . . ?
C9 C8 C7 121.7(8) . . ?
C9 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
C8 C9 C10 120.6(9) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C11 C10 C9 119.7(8) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C12 C11 C10 118.0(8) . . ?
C12 C11 P2 122.0(7) . . ?
C10 C11 P2 119.6(6) . . ?
O1 C12 C11 117.4(7) . . ?
O1 C12 C7 120.1(6) . . ?
C11 C12 C7 122.5(8) . . ?
O1 C13 C5 121.1(7) . . ?
O1 C13 C1 116.3(6) . . ?
C5 C13 C1 122.6(7) . . ?
C6 C14 H14A 109.5 . . ?
C6 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C6 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C6 C15 H15A 109.5 . . ?
C6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C2A C1A C6A 120.9(8) . . ?
C2A C1A P1 120.1(6) . . ?
C6A C1A P1 118.8(7) . . ?
C1A C2A C3A 119.4(8) . . ?
C1A C2A H2A 120.3 . . ?
C3A C2A H2A 120.3 . . ?
C4A C3A C2A 119.5(8) . . ?
C4A C3A H3A 120.3 . . ?
C2A C3A H3A 120.3 . . ?
C3A C4A C5A 120.4(8) . . ?
C3A C4A H4A 119.8 . . ?
C5A C4A H4A 119.8 . . ?
C4A C5A C6A 121.4(9) . . ?
C4A C5A H5A 119.3 . . ?
C6A C5A H5A 119.3 . . ?
C5A C6A C1A 118.3(9) . . ?
C5A C6A H6A 120.8 . . ?
C1A C6A H6A 120.8 . . ?
C2B C1B C6B 121.0(7) . . ?
C2B C1B P1 120.2(6) . . ?
C6B C1B P1 118.8(6) . . ?
C3B C2B C1B 121.0(8) . . ?
C3B C2B H2B 119.5 . . ?
C1B C2B H2B 119.5 . . ?
C2B C3B C4B 119.2(9) . . ?
C2B C3B H3B 120.4 . . ?
C4B C3B H3B 120.4 . . ?
C5B C4B C3B 120.9(8) . . ?
C5B C4B H4B 119.5 . . ?
C3B C4B H4B 119.5 . . ?
C4B C5B C6B 119.8(9) . . ?
C4B C5B H5B 120.1 . . ?
C6B C5B H5B 120.1 . . ?
C1B C6B C5B 118.0(8) . . ?
C1B C6B H6B 121.0 . . ?
C5B C6B H6B 121.0 . . ?
C2C C1C C6C 116.7(8) . . ?
C2C C1C P2 126.9(7) . . ?
C6C C1C P2 116.2(6) . . ?
C1C C2C C3C 124.5(8) . . ?
C1C C2C H2C 117.7 . . ?
C3C C2C H2C 117.7 . . ?
C2C C3C C4C 118.3(8) . . ?
C2C C3C H3C 120.8 . . ?
C4C C3C H3C 120.8 . . ?
C3C C4C C5C 118.6(8) . . ?
C3C C4C H4C 120.7 . . ?
C5C C4C H4C 120.7 . . ?
C6C C5C C4C 120.7(8) . . ?
C6C C5C H5C 119.7 . . ?
C4C C5C H5C 119.7 . . ?
C5C C6C C1C 120.8(8) . . ?
C5C C6C H6C 119.6 . . ?
C1C C6C H6C 119.6 . . ?
C2D C1D C6D 119.6(7) . . ?
C2D C1D P2 122.0(6) . . ?
C6D C1D P2 118.3(7) . . ?
C1D C2D C3D 119.8(8) . . ?
C1D C2D H2D 120.1 . . ?
C3D C2D H2D 120.1 . . ?
C4D C3D C2D 121.1(8) . . ?
C4D C3D H3D 119.4 . . ?
C2D C3D H3D 119.4 . . ?
C3D C4D C5D 120.2(8) . . ?
C3D C4D H4D 119.9 . . ?
C5D C4D H4D 119.9 . . ?
C6D C5D C4D 118.9(9) . . ?
C6D C5D H5D 120.6 . . ?
C4D C5D H5D 120.6 . . ?
C5D C6D C1D 120.1(9) . . ?
C5D C6D H6D 120.0 . . ?
C1D C6D H6D 120.0 . . ?
O4 N1 O2 119.7(8) . . ?
O4 N1 O3 118.5(9) . . ?
O2 N1 O3 121.7(8) . . ?
Cl2 C16 Cl1 109.6(7) . . ?
Cl2 C16 H16A 109.7 . . ?
Cl1 C16 H16A 109.7 . . ?
Cl2 C16 H16B 109.7 . . ?
Cl1 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
Cl3 C17 Cl4 113.6(11) . . ?
Cl3 C17 H17A 108.8 . . ?
Cl4 C17 H17A 108.8 . . ?
Cl3 C17 H17B 108.8 . . ?
Cl4 C17 H17B 108.8 . . ?
H17A C17 H17B 107.7 . . ?
Cl5 C18 Cl6 107.0(16) . . ?
Cl6 C18 Cl5 103.2(19) . 2_755 ?
Cl5 C18 H18A 110.3 . . ?
Cl6 C18 H18A 110.3 . . ?
Cl5 C18 H18A 72.1 2_755 . ?
Cl5 C18 H18B 110.3 . . ?
Cl6 C18 H18B 110.3 . . ?
Cl5 C18 H18B 143.2 2_755 . ?
H18A C18 H18B 108.6 . . ?
Cl5 Cl5 C18 86(2) 2_755 . ?
Cl5 Cl5 C18 50.9(13) 2_755 2_755 ?
C18 Cl5 C18 111.2(18) . 2_755 ?
C18 Cl6 Cl6 100.5(13) . 2_755 ?

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
P1 Au1 P2 C1C 109.6(4) 2_756 . . . ?
Au1 Au1 P2 C1C -108.1(3) 2_756 . . . ?
P1 Au1 P2 C11 -119.2(4) 2_756 . . . ?
Au1 Au1 P2 C11 23.1(3) 2_756 . . . ?
P1 Au1 P2 C1D -3.6(4) 2_756 . . . ?
Au1 Au1 P2 C1D 138.7(3) 2_756 . . . ?
C1B P1 C1 C13 -179.5(6) . . . . ?
C1A P1 C1 C13 -68.9(7) . . . . ?
Au1 P1 C1 C13 59.7(6) 2_756 . . . ?
C1B P1 C1 C2 9.6(8) . . . . ?
C1A P1 C1 C2 120.1(7) . . . . ?
Au1 P1 C1 C2 -111.2(6) 2_756 . . . ?
C13 C1 C2 C3 0.9(11) . . . . ?
P1 C1 C2 C3 172.0(7) . . . . ?
C1 C2 C3 C4 -0.7(13) . . . . ?
C2 C3 C4 C5 -0.2(14) . . . . ?
C3 C4 C5 C13 0.8(13) . . . . ?
C3 C4 C5 C6 178.7(8) . . . . ?
C13 C5 C6 C7 -31.3(10) . . . . ?
C4 C5 C6 C7 150.9(8) . . . . ?
C13 C5 C6 C15 -155.7(7) . . . . ?
C4 C5 C6 C15 26.5(11) . . . . ?
C13 C5 C6 C14 84.3(8) . . . . ?
C4 C5 C6 C14 -93.5(9) . . . . ?
C5 C6 C7 C8 -148.9(8) . . . . ?
C15 C6 C7 C8 -24.3(11) . . . . ?
C14 C6 C7 C8 95.6(10) . . . . ?
C5 C6 C7 C12 37.9(9) . . . . ?
C15 C6 C7 C12 162.5(7) . . . . ?
C14 C6 C7 C12 -77.6(9) . . . . ?
C12 C7 C8 C9 4.4(14) . . . . ?
C6 C7 C8 C9 -168.9(9) . . . . ?
C7 C8 C9 C10 1.6(16) . . . . ?
C8 C9 C10 C11 -3.1(15) . . . . ?
C9 C10 C11 C12 -1.6(14) . . . . ?
C9 C10 C11 P2 171.5(7) . . . . ?
C1C P2 C11 C12 61.2(8) . . . . ?
C1D P2 C11 C12 169.2(7) . . . . ?
Au1 P2 C11 C12 -75.4(8) . . . . ?
C1C P2 C11 C10 -111.6(8) . . . . ?
C1D P2 C11 C10 -3.6(8) . . . . ?
Au1 P2 C11 C10 111.8(7) . . . . ?
C13 O1 C12 C11 160.5(7) . . . . ?
C13 O1 C12 C7 -21.4(10) . . . . ?
C10 C11 C12 O1 -173.9(8) . . . . ?
P2 C11 C12 O1 13.2(11) . . . . ?
C10 C11 C12 C7 8.0(13) . . . . ?
P2 C11 C12 C7 -164.9(6) . . . . ?
C8 C7 C12 O1 172.6(8) . . . . ?
C6 C7 C12 O1 -13.8(11) . . . . ?
C8 C7 C12 C11 -9.4(12) . . . . ?
C6 C7 C12 C11 164.3(8) . . . . ?
C12 O1 C13 C5 28.6(10) . . . . ?
C12 O1 C13 C1 -152.5(7) . . . . ?
C4 C5 C13 O1 178.3(7) . . . . ?
C6 C5 C13 O1 0.3(11) . . . . ?
C4 C5 C13 C1 -0.6(12) . . . . ?
C6 C5 C13 C1 -178.5(7) . . . . ?
C2 C1 C13 O1 -179.1(7) . . . . ?
P1 C1 C13 O1 9.6(9) . . . . ?
C2 C1 C13 C5 -0.2(11) . . . . ?
P1 C1 C13 C5 -171.5(6) . . . . ?
C1B P1 C1A C2A 104.5(7) . . . . ?
C1 P1 C1A C2A -7.9(8) . . . . ?
Au1 P1 C1A C2A -126.5(6) 2_756 . . . ?
C1B P1 C1A C6A -70.7(7) . . . . ?
C1 P1 C1A C6A 176.9(6) . . . . ?
Au1 P1 C1A C6A 58.3(7) 2_756 . . . ?
C6A C1A C2A C3A -0.1(13) . . . . ?
P1 C1A C2A C3A -175.1(7) . . . . ?
C1A C2A C3A C4A 0.5(13) . . . . ?
C2A C3A C4A C5A -0.9(13) . . . . ?
C3A C4A C5A C6A 1.0(14) . . . . ?
C4A C5A C6A C1A -0.6(13) . . . . ?
C2A C1A C6A C5A 0.1(13) . . . . ?
P1 C1A C6A C5A 175.3(7) . . . . ?
C1A P1 C1B C2B -38.7(7) . . . . ?
C1 P1 C1B C2B 74.9(7) . . . . ?
Au1 P1 C1B C2B -171.3(5) 2_756 . . . ?
C1A P1 C1B C6B 143.6(6) . . . . ?
C1 P1 C1B C6B -102.8(6) . . . . ?
Au1 P1 C1B C6B 11.0(7) 2_756 . . . ?
C6B C1B C2B C3B -1.4(11) . . . . ?
P1 C1B C2B C3B -179.1(6) . . . . ?
C1B C2B C3B C4B 0.8(12) . . . . ?
C2B C3B C4B C5B -1.9(13) . . . . ?
C3B C4B C5B C6B 3.6(13) . . . . ?
C2B C1B C6B C5B 3.0(11) . . . . ?
P1 C1B C6B C5B -179.3(6) . . . . ?
C4B C5B C6B C1B -4.1(12) . . . . ?
C11 P2 C1C C2C 2.9(9) . . . . ?
C1D P2 C1C C2C -105.6(8) . . . . ?
Au1 P2 C1C C2C 140.9(7) . . . . ?
C11 P2 C1C C6C 177.3(7) . . . . ?
C1D P2 C1C C6C 68.7(7) . . . . ?
Au1 P2 C1C C6C -44.7(7) . . . . ?
C6C C1C C2C C3C 1.7(13) . . . . ?
P2 C1C C2C C3C 176.0(7) . . . . ?
C1C C2C C3C C4C -4.2(14) . . . . ?
C2C C3C C4C C5C 1.5(14) . . . . ?
C3C C4C C5C C6C 3.7(15) . . . . ?
C4C C5C C6C C1C -6.4(15) . . . . ?
C2C C1C C6C C5C 3.7(13) . . . . ?
P2 C1C C6C C5C -171.2(7) . . . . ?
C1C P2 C1D C2D 22.3(8) . . . . ?
C11 P2 C1D C2D -87.1(8) . . . . ?
Au1 P2 C1D C2D 145.9(7) . . . . ?
C1C P2 C1D C6D -162.4(7) . . . . ?
C11 P2 C1D C6D 88.2(7) . . . . ?
Au1 P2 C1D C6D -38.8(7) . . . . ?
C6D C1D C2D C3D 3.8(13) . . . . ?
P2 C1D C2D C3D 179.1(7) . . . . ?
C1D C2D C3D C4D -4.4(14) . . . . ?
C2D C3D C4D C5D 4.7(15) . . . . ?
C3D C4D C5D C6D -4.6(14) . . . . ?
C4D C5D C6D C1D 4.1(14) . . . . ?
C2D C1D C6D C5D -3.8(13) . . . . ?
P2 C1D C6D C5D -179.3(7) . . . . ?
Cl6 C18 Cl5 Cl5 91(2) . . . 2_755 ?
Cl6 C18 Cl5 C18 46.1(19) . . . 2_755 ?
Cl5 C18 Cl5 C18 -45.2(9) 2_755 . . 2_755 ?
Cl5 C18 Cl6 Cl6 -35(3) . . . 2_755 ?
Cl5 C18 Cl6 Cl6 9.9(19) 2_755 . . 2_755 ?



_database_code_depnum_ccdc_archive 'CCDC 942203'
data_IIIY

_publ_requested_journal          Chem.Commun.
_publ_contact_author_name        "Andrea Deák"
_publ_contact_author_address     
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67, 
Hungary
;

_publ_contact_author_email       deak.andrea@ttk.mta.hu
_publ_contact_author_phone       00-36-1-438-1161/327
_publ_contact_author_fax         00-36-1-438-1143
loop_
_publ_author_name
_publ_author_address
"Csaba Jobbágy"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Miklós Molnár"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Péter Baranyai"
; MTA TTK MFI
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Andrea Deák"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C78 H64 Au2 O2 P4, 2(N O3),  1.9(C H2 Cl2),  0.59(H2 O)'
_chemical_formula_sum            'C79.90 H68.97 Au2 Cl3.80 N2 O8.59 P4'
_chemical_formula_weight         1847.07

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   11.77280(10)
_cell_length_b                   33.8466(3)
_cell_length_c                   18.4668(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.2310(10)
_cell_angle_gamma                90.00
_cell_volume                     7314.98(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.41
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3655
_exptl_absorpt_coefficient_mu    4.292
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2094
_exptl_absorpt_correction_T_max  0.2721
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC, 2005)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      93(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            58171
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_sigmaI/netI    0.0395
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.73
_diffrn_reflns_theta_max         25.03
_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 0.995

_reflns_number_total             12845
_reflns_number_gt                11673
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'WinGX (Farrugia, 1999), PLATON (Spek, 2003)'

_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)+(0.0393P)²+42.8837P] where P=(Fo²+2Fc²)/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_number_reflns         12845
_refine_ls_number_parameters     923
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0375
_refine_ls_wR_factor_ref         0.0971
_refine_ls_wR_factor_gt          0.0941
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.082
_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 1.064175(17) 0.911145(6) 0.813119(10) 0.01407(7) Uani 1 1 d . . .
P1 P 1.21244(12) 0.87495(4) 0.87335(7) 0.0144(3) Uani 1 1 d . . .
P2 P 0.89874(13) 0.80939(4) 0.75283(8) 0.0187(3) Uani 1 1 d . . .
O1 O 1.0074(4) 0.82674(12) 0.9041(2) 0.0208(9) Uani 1 1 d . . .
C1 C 1.1659(5) 0.86317(15) 0.9616(3) 0.0177(11) Uani 1 1 d . . .
C2 C 1.2252(5) 0.87904(17) 1.0251(3) 0.0191(11) Uani 1 1 d . . .
H2 H 1.2940 0.8933 1.0221 0.023 Uiso 1 1 calc R . .
C3 C 1.1840(5) 0.87411(17) 1.0921(3) 0.0210(12) Uani 1 1 d . . .
H3 H 1.2252 0.8844 1.1350 0.025 Uiso 1 1 calc R . .
C4 C 1.0824(5) 0.85405(16) 1.0959(3) 0.0226(13) Uani 1 1 d . . .
H4 H 1.0530 0.8517 1.1416 0.027 Uiso 1 1 calc R . .
C5 C 1.0224(5) 0.83725(16) 1.0349(3) 0.0214(12) Uani 1 1 d . . .
C6 C 0.9145(6) 0.81293(18) 1.0377(3) 0.0239(13) Uani 1 1 d . . .
C7 C 0.8382(6) 0.81965(17) 0.9669(3) 0.0249(13) Uani 1 1 d . . .
C8 C 0.7197(6) 0.81865(18) 0.9608(4) 0.0283(14) Uani 1 1 d . . .
H8 H 0.6819 0.8177 1.0037 0.034 Uiso 1 1 calc R . .
C9 C 0.6554(6) 0.81896(19) 0.8934(4) 0.0314(15) Uani 1 1 d . . .
H9 H 0.5744 0.8194 0.8909 0.038 Uiso 1 1 calc R . .
C10 C 0.7067(5) 0.81862(18) 0.8299(4) 0.0265(13) Uani 1 1 d . . .
H10 H 0.6614 0.8177 0.7841 0.032 Uiso 1 1 calc R . .
C11 C 0.8279(5) 0.81959(16) 0.8333(3) 0.0215(12) Uani 1 1 d . . .
C12 C 0.8916(5) 0.82260(16) 0.9028(3) 0.0191(12) Uani 1 1 d . . .
C13 C 1.0659(5) 0.84237(16) 0.9686(3) 0.0174(11) Uani 1 1 d . . .
C14 C 0.9482(7) 0.76861(19) 1.0396(4) 0.0350(16) Uani 1 1 d . . .
H14A H 0.9846 0.7621 0.9959 0.053 Uiso 1 1 calc R . .
H14B H 0.8796 0.7524 1.0412 0.053 Uiso 1 1 calc R . .
H14C H 1.0017 0.7634 1.0830 0.053 Uiso 1 1 calc R . .
C15 C 0.8552(6) 0.8230(2) 1.1052(3) 0.0338(16) Uani 1 1 d . . .
H15A H 0.9010 0.8129 1.1489 0.051 Uiso 1 1 calc R . .
H15B H 0.7794 0.8107 1.1010 0.051 Uiso 1 1 calc R . .
H15C H 0.8472 0.8517 1.1090 0.051 Uiso 1 1 calc R . .
C1A C 1.2689(5) 0.83058(16) 0.8352(3) 0.0175(11) Uani 1 1 d . . .
C2A C 1.2931(6) 0.83161(18) 0.7632(3) 0.0250(13) Uani 1 1 d . . .
H2A H 1.2701 0.8537 0.7334 0.030 Uiso 1 1 calc R . .
C3A C 1.3505(5) 0.80062(18) 0.7346(3) 0.0264(13) Uani 1 1 d . . .
H3A H 1.3685 0.8018 0.6858 0.032 Uiso 1 1 calc R . .
C4A C 1.3816(6) 0.76794(19) 0.7771(4) 0.0299(14) Uani 1 1 d . . .
H4A H 1.4207 0.7466 0.7576 0.036 Uiso 1 1 calc R . .
C5A C 1.3554(6) 0.76652(18) 0.8484(4) 0.0291(14) Uani 1 1 d . . .
H5A H 1.3758 0.7439 0.8774 0.035 Uiso 1 1 calc R . .
C6A C 1.2995(5) 0.79791(18) 0.8779(3) 0.0243(13) Uani 1 1 d . . .
H6A H 1.2825 0.7969 0.9270 0.029 Uiso 1 1 calc R . .
C1B C 1.3368(5) 0.90613(16) 0.8938(3) 0.0156(11) Uani 1 1 d . . .
C2B C 1.4397(5) 0.88992(18) 0.9268(3) 0.0213(12) Uani 1 1 d . . .
H2B H 1.4456 0.8623 0.9358 0.026 Uiso 1 1 calc R . .
C3B C 1.5330(5) 0.91454(18) 0.9462(3) 0.0234(13) Uani 1 1 d . . .
H3B H 1.6027 0.9036 0.9682 0.028 Uiso 1 1 calc R . .
C4B C 1.5244(6) 0.95475(19) 0.9336(3) 0.0278(14) Uani 1 1 d . . .
H4B H 1.5876 0.9715 0.9482 0.033 Uiso 1 1 calc R . .
C5B C 1.4232(5) 0.97086(18) 0.8995(4) 0.0274(14) Uani 1 1 d . . .
H5B H 1.4178 0.9984 0.8898 0.033 Uiso 1 1 calc R . .
C6B C 1.3307(5) 0.94635(17) 0.8800(3) 0.0231(12) Uani 1 1 d . . .
H6B H 1.2619 0.9573 0.8567 0.028 Uiso 1 1 calc R . .
C1C C 0.9792(5) 0.76432(16) 0.7744(3) 0.0227(12) Uani 1 1 d . . .
C2C C 0.9506(7) 0.73780(18) 0.8278(4) 0.0321(15) Uani 1 1 d . . .
H2C H 0.8893 0.7437 0.8556 0.039 Uiso 1 1 calc R . .
C3C C 1.0104(7) 0.70350(19) 0.8400(4) 0.0382(17) Uani 1 1 d . . .
H3C H 0.9903 0.6858 0.8764 0.046 Uiso 1 1 calc R . .
C4C C 1.1000(7) 0.69409(19) 0.8001(4) 0.0392(18) Uani 1 1 d . . .
H4C H 1.1417 0.6703 0.8096 0.047 Uiso 1 1 calc R . .
C5C C 1.1284(6) 0.71996(18) 0.7459(4) 0.0331(15) Uani 1 1 d . . .
H5C H 1.1882 0.7137 0.7172 0.040 Uiso 1 1 calc R . .
C6C C 1.0681(6) 0.75487(17) 0.7347(3) 0.0242(13) Uani 1 1 d . . .
H6C H 1.0883 0.7728 0.6987 0.029 Uiso 1 1 calc R . .
C1D C 0.7809(5) 0.79552(17) 0.6848(3) 0.0219(12) Uani 1 1 d . . .
C2D C 0.7464(6) 0.8202(2) 0.6270(4) 0.0342(16) Uani 1 1 d . . .
H2D H 0.7863 0.8443 0.6216 0.041 Uiso 1 1 calc R . .
C3D C 0.6541(7) 0.8104(2) 0.5764(4) 0.0384(17) Uani 1 1 d . . .
H3D H 0.6296 0.8280 0.5377 0.046 Uiso 1 1 calc R . .
C4D C 0.5989(6) 0.77496(19) 0.5835(4) 0.0299(14) Uani 1 1 d . . .
H4D H 0.5362 0.7678 0.5491 0.036 Uiso 1 1 calc R . .
C5D C 0.6346(5) 0.74961(18) 0.6405(3) 0.0253(13) Uani 1 1 d . . .
H5D H 0.5966 0.7251 0.6449 0.030 Uiso 1 1 calc R . .
C6D C 0.7249(6) 0.75980(17) 0.6909(3) 0.0248(13) Uani 1 1 d . . .
H6D H 0.7488 0.7423 0.7299 0.030 Uiso 1 1 calc R . .
Au1' Au 1.003775(18) 0.856567(6) 0.698529(11) 0.01571(7) Uani 1 1 d . . .
P1' P 1.06915(12) 0.89558(4) 0.60848(7) 0.0147(3) Uani 1 1 d . . .
P2' P 0.91232(12) 0.95494(4) 0.79559(7) 0.0148(3) Uani 1 1 d . . .
O1' O 0.8550(3) 0.93662(11) 0.63638(19) 0.0158(8) Uani 1 1 d . . .
C1' C 0.9412(5) 0.90136(16) 0.5451(3) 0.0183(11) Uani 1 1 d . . .
C2' C 0.9326(5) 0.88335(16) 0.4766(3) 0.0208(12) Uani 1 1 d . . .
H2' H 0.9984 0.8719 0.4595 0.025 Uiso 1 1 calc R . .
C3' C 0.8298(5) 0.88210(17) 0.4340(3) 0.0215(12) Uani 1 1 d . . .
H3' H 0.8251 0.8700 0.3874 0.026 Uiso 1 1 calc R . .
C4' C 0.7330(5) 0.89827(16) 0.4580(3) 0.0191(12) Uani 1 1 d . . .
H4' H 0.6622 0.8963 0.4283 0.023 Uiso 1 1 calc R . .
C5' C 0.7372(5) 0.91756(16) 0.5253(3) 0.0183(11) Uani 1 1 d . . .
C6' C 0.6372(5) 0.93801(18) 0.5546(3) 0.0212(12) Uani 1 1 d . . .
C7' C 0.6500(5) 0.93114(17) 0.6365(3) 0.0203(12) Uani 1 1 d . . .
C8' C 0.5598(5) 0.92436(19) 0.6774(3) 0.0244(13) Uani 1 1 d . . .
H8' H 0.4857 0.9196 0.6531 0.029 Uiso 1 1 calc R . .
C9' C 0.5754(5) 0.9244(2) 0.7530(3) 0.0296(14) Uani 1 1 d . . .
H9' H 0.5133 0.9184 0.7800 0.036 Uiso 1 1 calc R . .
C10' C 0.6812(5) 0.93296(19) 0.7887(3) 0.0249(13) Uani 1 1 d . . .
H10' H 0.6904 0.9348 0.8403 0.030 Uiso 1 1 calc R . .
C11' C 0.7756(5) 0.93898(16) 0.7499(3) 0.0177(11) Uani 1 1 d . . .
C12' C 0.7581(5) 0.93512(16) 0.6739(3) 0.0165(11) Uani 1 1 d . . .
C13' C 0.8416(5) 0.91851(15) 0.5670(3) 0.0165(11) Uani 1 1 d . . .
C14' C 0.6464(6) 0.98308(19) 0.5411(3) 0.0282(14) Uani 1 1 d . . .
H14D H 0.7229 0.9923 0.5598 0.042 Uiso 1 1 calc R . .
H14E H 0.5891 0.9970 0.5662 0.042 Uiso 1 1 calc R . .
H14F H 0.6329 0.9884 0.4887 0.042 Uiso 1 1 calc R . .
C15' C 0.5211(5) 0.9233(2) 0.5180(3) 0.0292(14) Uani 1 1 d . . .
H15D H 0.5196 0.9255 0.4650 0.044 Uiso 1 1 calc R . .
H15E H 0.4597 0.9394 0.5345 0.044 Uiso 1 1 calc R . .
H15F H 0.5103 0.8956 0.5312 0.044 Uiso 1 1 calc R . .
C1A' C 1.1323(5) 0.94382(16) 0.6271(3) 0.0170(11) Uani 1 1 d . . .
C2A' C 1.2318(5) 0.94631(17) 0.6732(3) 0.0209(12) Uani 1 1 d . . .
H2A' H 1.2605 0.9235 0.6991 0.025 Uiso 1 1 calc R . .
C3A' C 1.2913(5) 0.98208(17) 0.6826(3) 0.0224(12) Uani 1 1 d . . .
H3A' H 1.3607 0.9836 0.7139 0.027 Uiso 1 1 calc R . .
C4A' C 1.2473(6) 1.01545(17) 0.6452(3) 0.0245(13) Uani 1 1 d . . .
H4A' H 1.2870 1.0399 0.6506 0.029 Uiso 1 1 calc R . .
C5A' C 1.1458(6) 1.01299(18) 0.6003(3) 0.0243(13) Uani 1 1 d . . .
H5A' H 1.1156 1.0360 0.5757 0.029 Uiso 1 1 calc R . .
C6A' C 1.0873(5) 0.97750(16) 0.5904(3) 0.0208(12) Uani 1 1 d . . .
H6A' H 1.0178 0.9761 0.5593 0.025 Uiso 1 1 calc R . .
C1B' C 1.1692(5) 0.87067(17) 0.5557(3) 0.0183(11) Uani 1 1 d . . .
C2B' C 1.2207(5) 0.89168(18) 0.5031(3) 0.0216(12) Uani 1 1 d . . .
H2B' H 1.2099 0.9194 0.4986 0.026 Uiso 1 1 calc R . .
C3B' C 1.2879(6) 0.8720(2) 0.4574(3) 0.0278(14) Uani 1 1 d . . .
H3B' H 1.3225 0.8862 0.4212 0.033 Uiso 1 1 calc R . .
C4B' C 1.3044(6) 0.8317(2) 0.4647(4) 0.0338(15) Uani 1 1 d . . .
H4B' H 1.3507 0.8184 0.4333 0.041 Uiso 1 1 calc R . .
C5B' C 1.2545(7) 0.8101(2) 0.5172(4) 0.0359(16) Uani 1 1 d . . .
H5B' H 1.2673 0.7824 0.5224 0.043 Uiso 1 1 calc R . .
C6B' C 1.1851(6) 0.83000(18) 0.5620(3) 0.0256(13) Uani 1 1 d . . .
H6B' H 1.1484 0.8156 0.5970 0.031 Uiso 1 1 calc R . .
C1C' C 0.9422(5) 1.00309(17) 0.7594(3) 0.0188(12) Uani 1 1 d . . .
C2C' C 1.0541(5) 1.01745(17) 0.7704(3) 0.0204(12) Uani 1 1 d . . .
H2C' H 1.1143 1.0004 0.7892 0.024 Uiso 1 1 calc R . .
C3C' C 1.0778(6) 1.05608(18) 0.7543(3) 0.0266(13) Uani 1 1 d . . .
H3C' H 1.1537 1.0658 0.7638 0.032 Uiso 1 1 calc R . .
C4C' C 0.9922(6) 1.08058(19) 0.7246(4) 0.0315(15) Uani 1 1 d . . .
H4C' H 1.0091 1.1072 0.7134 0.038 Uiso 1 1 calc R . .
C5C' C 0.8813(6) 1.06681(19) 0.7109(4) 0.0342(15) Uani 1 1 d . . .
H5C' H 0.8230 1.0839 0.6896 0.041 Uiso 1 1 calc R . .
C6C' C 0.8541(6) 1.02782(18) 0.7281(3) 0.0262(13) Uani 1 1 d . . .
H6C' H 0.7780 1.0183 0.7188 0.031 Uiso 1 1 calc R . .
C1D' C 0.8815(5) 0.96490(17) 0.8889(3) 0.0175(11) Uani 1 1 d . . .
C2D' C 0.8548(5) 1.00285(17) 0.9110(3) 0.0225(12) Uani 1 1 d . . .
H2D' H 0.8507 1.0241 0.8773 0.027 Uiso 1 1 calc R . .
C3D' C 0.8340(6) 1.00939(19) 0.9833(3) 0.0273(13) Uani 1 1 d . . .
H3D' H 0.8144 1.0351 0.9984 0.033 Uiso 1 1 calc R . .
C4D' C 0.8420(6) 0.97878(19) 1.0325(3) 0.0269(14) Uani 1 1 d . . .
H4D' H 0.8281 0.9834 1.0815 0.032 Uiso 1 1 calc R . .
C5D' C 0.8702(6) 0.94116(19) 1.0107(3) 0.0283(14) Uani 1 1 d . . .
H5D' H 0.8754 0.9200 1.0448 0.034 Uiso 1 1 calc R . .
C6D' C 0.8911(5) 0.93434(17) 0.9388(3) 0.0223(12) Uani 1 1 d . . .
H6D' H 0.9119 0.9087 0.9242 0.027 Uiso 1 1 calc R . .
N1 N 0.4615(7) 0.5646(3) 0.8171(4) 0.072(3) Uani 1 1 d U . .
O2 O 0.5514(4) 0.58069(15) 0.8135(3) 0.0395(12) Uani 1 1 d . . .
O3 O 0.4727(8) 0.5229(2) 0.8171(5) 0.092(3) Uani 1 1 d . . .
O4 O 0.3800(7) 0.5766(5) 0.8227(6) 0.204(8) Uani 1 1 d U . .
N2 N 0.3885(5) 0.69693(15) 0.5913(3) 0.0276(12) Uani 1 1 d . . .
O5 O 0.3076(6) 0.71867(16) 0.5715(4) 0.0589(16) Uani 1 1 d . . .
O6 O 0.4519(5) 0.68409(17) 0.5461(3) 0.0465(13) Uani 1 1 d . . .
O7 O 0.4094(5) 0.68704(16) 0.6567(2) 0.0419(13) Uani 1 1 d . . .
C16 C 0.5955(6) 0.6736(2) 0.8009(4) 0.0327(16) Uani 0.965(5) 1 d P . .
H16A H 0.5379 0.6862 0.7651 0.039 Uiso 0.965(5) 1 calc PR . .
H16B H 0.5607 0.6495 0.8195 0.039 Uiso 0.965(5) 1 calc PR . .
Cl1 Cl 0.71587(15) 0.66003(5) 0.75661(8) 0.0280(5) Uani 0.965(5) 1 d P . .
Cl2 Cl 0.63138(19) 0.70641(6) 0.87364(10) 0.0449(6) Uani 0.965(5) 1 d P . .
C17 C 0.5204(6) 0.5968(2) 0.6439(4) 0.0279(15) Uani 0.935(5) 1 d P . .
H17A H 0.5244 0.6063 0.6947 0.033 Uiso 0.935(5) 1 calc PR . .
H17B H 0.4968 0.6192 0.6112 0.033 Uiso 0.935(5) 1 calc PR . .
Cl3 Cl 0.41770(14) 0.55869(5) 0.63053(9) 0.0307(5) Uani 0.935(5) 1 d P . .
Cl4 Cl 0.65719(15) 0.58020(5) 0.62597(10) 0.0336(5) Uani 0.935(5) 1 d P . .
O8 O 1.3257(7) 0.6533(3) 0.7798(5) 0.037(3) Uani 0.587(17) 1 d PD . .
H8A H 1.324(10) 0.648(4) 0.7347(18) 0.050 Uiso 0.587(17) 1 d PD . .
H8B H 1.394(4) 0.659(4) 0.796(6) 0.050 Uiso 0.587(17) 1 d PD . .


_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 P1 2.3160(14) . ?
Au1 P2' 2.3179(14) . ?
Au1 Au1' 2.8407(3) . ?
P1 C1B 1.811(6) . ?
P1 C1A 1.815(5) . ?
P1 C1 1.819(5) . ?
P2 C11 1.814(6) . ?
P2 C1C 1.817(6) . ?
P2 C1D 1.829(6) . ?
P2 Au1' 2.3136(14) . ?
O1 C12 1.368(7) . ?
O1 C13 1.411(7) . ?
C1 C13 1.390(8) . ?
C1 C2 1.404(8) . ?
C2 C3 1.387(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.384(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(9) . ?
C4 H4 0.9500 . ?
C5 C13 1.389(8) . ?
C5 C6 1.519(9) . ?
C6 C7 1.521(9) . ?
C6 C15 1.532(8) . ?
C6 C14 1.551(9) . ?
C7 C8 1.388(9) . ?
C7 C12 1.403(8) . ?
C8 C9 1.386(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.375(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.422(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.419(8) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C1A C6A 1.383(8) . ?
C1A C2A 1.392(8) . ?
C2A C3A 1.382(8) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.383(9) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.384(9) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.391(9) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C6B 1.385(8) . ?
C1B C2B 1.407(8) . ?
C2B C3B 1.394(9) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.382(9) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.397(10) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.385(9) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C6C 1.378(9) . ?
C1C C2C 1.402(8) . ?
C2C C3C 1.364(10) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.387(12) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.398(10) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.383(9) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
C1D C2D 1.382(9) . ?
C1D C6D 1.388(8) . ?
C2D C3D 1.394(10) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.379(9) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.388(9) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.379(9) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
Au1' P1' 2.3193(13) . ?
P1' C1A' 1.811(6) . ?
P1' C1B' 1.815(6) . ?
P1' C1' 1.815(6) . ?
P2' C1C' 1.810(6) . ?
P2' C11' 1.817(6) . ?
P2' C1D' 1.831(5) . ?
O1' C12' 1.398(6) . ?
O1' C13' 1.413(6) . ?
C1' C2' 1.397(8) . ?
C1' C13' 1.407(8) . ?
C2' C3' 1.371(9) . ?
C2' H2' 0.9500 . ?
C3' C4' 1.379(9) . ?
C3' H3' 0.9500 . ?
C4' C5' 1.400(8) . ?
C4' H4' 0.9500 . ?
C5' C13' 1.378(8) . ?
C5' C6' 1.516(8) . ?
C6' C7' 1.521(8) . ?
C6' C15' 1.539(8) . ?
C6' C14' 1.552(8) . ?
C7' C12' 1.387(8) . ?
C7' C8' 1.388(8) . ?
C8' C9' 1.389(9) . ?
C8' H8' 0.9500 . ?
C9' C10' 1.376(9) . ?
C9' H9' 0.9500 . ?
C10' C11' 1.400(8) . ?
C10' H10' 0.9500 . ?
C11' C12' 1.402(8) . ?
C14' H14D 0.9800 . ?
C14' H14E 0.9800 . ?
C14' H14F 0.9800 . ?
C15' H15D 0.9800 . ?
C15' H15E 0.9800 . ?
C15' H15F 0.9800 . ?
C1A' C2A' 1.374(9) . ?
C1A' C6A' 1.400(8) . ?
C2A' C3A' 1.400(8) . ?
C2A' H2A' 0.9500 . ?
C3A' C4A' 1.394(9) . ?
C3A' H3A' 0.9500 . ?
C4A' C5A' 1.380(9) . ?
C4A' H4A' 0.9500 . ?
C5A' C6A' 1.387(8) . ?
C5A' H5A' 0.9500 . ?
C6A' H6A' 0.9500 . ?
C1B' C6B' 1.393(8) . ?
C1B' C2B' 1.395(8) . ?
C2B' C3B' 1.388(8) . ?
C2B' H2B' 0.9500 . ?
C3B' C4B' 1.384(10) . ?
C3B' H3B' 0.9500 . ?
C4B' C5B' 1.394(10) . ?
C4B' H4B' 0.9500 . ?
C5B' C6B' 1.398(9) . ?
C5B' H5B' 0.9500 . ?
C6B' H6B' 0.9500 . ?
C1C' C2C' 1.398(8) . ?
C1C' C6C' 1.408(9) . ?
C2C' C3C' 1.376(8) . ?
C2C' H2C' 0.9500 . ?
C3C' C4C' 1.373(10) . ?
C3C' H3C' 0.9500 . ?
C4C' C5C' 1.383(11) . ?
C4C' H4C' 0.9500 . ?
C5C' C6C' 1.402(9) . ?
C5C' H5C' 0.9500 . ?
C6C' H6C' 0.9500 . ?
C1D' C6D' 1.382(8) . ?
C1D' C2D' 1.394(8) . ?
C2D' C3D' 1.401(8) . ?
C2D' H2D' 0.9500 . ?
C3D' C4D' 1.374(9) . ?
C3D' H3D' 0.9500 . ?
C4D' C5D' 1.387(9) . ?
C4D' H4D' 0.9500 . ?
C5D' C6D' 1.396(8) . ?
C5D' H5D' 0.9500 . ?
C6D' H6D' 0.9500 . ?
N1 O4 1.058(12) . ?
N1 O2 1.199(9) . ?
N1 O3 1.417(13) . ?
N2 O5 1.228(8) . ?
N2 O7 1.251(7) . ?
N2 O6 1.256(7) . ?
C16 Cl2 1.759(7) . ?
C16 Cl1 1.772(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 Cl3 1.767(7) . ?
C17 Cl4 1.770(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
O8 H8A 0.848(10) . ?
O8 H8B 0.850(11) . ?

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
P1 Au1 P2' 159.24(5) . . ?
P1 Au1 Au1' 97.38(3) . . ?
P2' Au1 Au1' 100.66(4) . . ?
C1B P1 C1A 104.0(3) . . ?
C1B P1 C1 104.9(3) . . ?
C1A P1 C1 108.9(3) . . ?
C1B P1 Au1 109.99(18) . . ?
C1A P1 Au1 122.69(19) . . ?
C1 P1 Au1 105.17(19) . . ?
C11 P2 C1C 104.8(3) . . ?
C11 P2 C1D 103.2(3) . . ?
C1C P2 C1D 105.9(3) . . ?
C11 P2 Au1' 122.58(19) . . ?
C1C P2 Au1' 112.6(2) . . ?
C1D P2 Au1' 106.32(19) . . ?
C12 O1 C13 116.6(4) . . ?
C13 C1 C2 117.8(5) . . ?
C13 C1 P1 122.3(4) . . ?
C2 C1 P1 119.6(4) . . ?
C3 C2 C1 120.6(5) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C4 C3 C2 119.5(5) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 121.9(5) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C4 C5 C13 117.5(6) . . ?
C4 C5 C6 123.4(5) . . ?
C13 C5 C6 119.1(5) . . ?
C5 C6 C7 108.0(5) . . ?
C5 C6 C15 111.3(5) . . ?
C7 C6 C15 112.8(6) . . ?
C5 C6 C14 108.2(5) . . ?
C7 C6 C14 106.9(5) . . ?
C15 C6 C14 109.5(5) . . ?
C8 C7 C12 118.2(6) . . ?
C8 C7 C6 124.1(5) . . ?
C12 C7 C6 117.3(6) . . ?
C9 C8 C7 121.2(6) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C10 C9 C8 121.2(6) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C9 C10 C11 119.7(6) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 118.0(5) . . ?
C12 C11 P2 120.7(5) . . ?
C10 C11 P2 120.6(5) . . ?
O1 C12 C7 121.9(5) . . ?
O1 C12 C11 116.8(5) . . ?
C7 C12 C11 121.2(5) . . ?
C5 C13 C1 122.8(5) . . ?
C5 C13 O1 120.3(5) . . ?
C1 C13 O1 116.9(5) . . ?
C6 C14 H14A 109.5 . . ?
C6 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C6 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C6 C15 H15A 109.5 . . ?
C6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C6A C1A C2A 119.8(5) . . ?
C6A C1A P1 121.7(4) . . ?
C2A C1A P1 118.1(4) . . ?
C3A C2A C1A 120.3(6) . . ?
C3A C2A H2A 119.8 . . ?
C1A C2A H2A 119.8 . . ?
C2A C3A C4A 120.0(6) . . ?
C2A C3A H3A 120.0 . . ?
C4A C3A H3A 120.0 . . ?
C3A C4A C5A 119.7(6) . . ?
C3A C4A H4A 120.2 . . ?
C5A C4A H4A 120.2 . . ?
C4A C5A C6A 120.6(6) . . ?
C4A C5A H5A 119.7 . . ?
C6A C5A H5A 119.7 . . ?
C1A C6A C5A 119.5(6) . . ?
C1A C6A H6A 120.2 . . ?
C5A C6A H6A 120.2 . . ?
C6B C1B C2B 119.2(5) . . ?
C6B C1B P1 120.7(4) . . ?
C2B C1B P1 120.1(4) . . ?
C3B C2B C1B 119.7(5) . . ?
C3B C2B H2B 120.1 . . ?
C1B C2B H2B 120.1 . . ?
C4B C3B C2B 120.3(6) . . ?
C4B C3B H3B 119.9 . . ?
C2B C3B H3B 119.9 . . ?
C3B C4B C5B 120.2(6) . . ?
C3B C4B H4B 119.9 . . ?
C5B C4B H4B 119.9 . . ?
C6B C5B C4B 119.5(6) . . ?
C6B C5B H5B 120.3 . . ?
C4B C5B H5B 120.3 . . ?
C5B C6B C1B 121.1(6) . . ?
C5B C6B H6B 119.4 . . ?
C1B C6B H6B 119.4 . . ?
C6C C1C C2C 118.7(6) . . ?
C6C C1C P2 119.1(4) . . ?
C2C C1C P2 122.1(5) . . ?
C3C C2C C1C 120.1(7) . . ?
C3C C2C H2C 120.0 . . ?
C1C C2C H2C 120.0 . . ?
C2C C3C C4C 121.1(6) . . ?
C2C C3C H3C 119.4 . . ?
C4C C3C H3C 119.4 . . ?
C3C C4C C5C 119.4(6) . . ?
C3C C4C H4C 120.3 . . ?
C5C C4C H4C 120.3 . . ?
C6C C5C C4C 118.9(7) . . ?
C6C C5C H5C 120.6 . . ?
C4C C5C H5C 120.6 . . ?
C1C C6C C5C 121.7(6) . . ?
C1C C6C H6C 119.1 . . ?
C5C C6C H6C 119.1 . . ?
C2D C1D C6D 119.2(6) . . ?
C2D C1D P2 120.8(5) . . ?
C6D C1D P2 120.0(5) . . ?
C1D C2D C3D 121.1(6) . . ?
C1D C2D H2D 119.5 . . ?
C3D C2D H2D 119.5 . . ?
C4D C3D C2D 119.0(6) . . ?
C4D C3D H3D 120.5 . . ?
C2D C3D H3D 120.5 . . ?
C3D C4D C5D 120.2(6) . . ?
C3D C4D H4D 119.9 . . ?
C5D C4D H4D 119.9 . . ?
C6D C5D C4D 120.4(6) . . ?
C6D C5D H5D 119.8 . . ?
C4D C5D H5D 119.8 . . ?
C5D C6D C1D 120.1(6) . . ?
C5D C6D H6D 120.0 . . ?
C1D C6D H6D 120.0 . . ?
P2 Au1' P1' 159.75(5) . . ?
P2 Au1' Au1 103.20(4) . . ?
P1' Au1' Au1 95.06(3) . . ?
C1A' P1' C1B' 104.1(3) . . ?
C1A' P1' C1' 108.7(3) . . ?
C1B' P1' C1' 104.2(3) . . ?
C1A' P1' Au1' 122.60(18) . . ?
C1B' P1' Au1' 113.92(19) . . ?
C1' P1' Au1' 101.96(18) . . ?
C1C' P2' C11' 107.1(3) . . ?
C1C' P2' C1D' 104.4(3) . . ?
C11' P2' C1D' 103.6(3) . . ?
C1C' P2' Au1 116.7(2) . . ?
C11' P2' Au1 120.39(19) . . ?
C1D' P2' Au1 102.41(18) . . ?
C12' O1' C13' 114.6(4) . . ?
C2' C1' C13' 117.4(5) . . ?
C2' C1' P1' 120.7(4) . . ?
C13' C1' P1' 121.2(4) . . ?
C3' C2' C1' 120.4(6) . . ?
C3' C2' H2' 119.8 . . ?
C1' C2' H2' 119.8 . . ?
C2' C3' C4' 120.8(5) . . ?
C2' C3' H3' 119.6 . . ?
C4' C3' H3' 119.6 . . ?
C3' C4' C5' 121.3(5) . . ?
C3' C4' H4' 119.3 . . ?
C5' C4' H4' 119.3 . . ?
C13' C5' C4' 116.8(5) . . ?
C13' C5' C6' 118.0(5) . . ?
C4' C5' C6' 125.2(5) . . ?
C5' C6' C7' 106.7(5) . . ?
C5' C6' C15' 112.5(5) . . ?
C7' C6' C15' 112.0(5) . . ?
C5' C6' C14' 108.7(5) . . ?
C7' C6' C14' 108.0(5) . . ?
C15' C6' C14' 108.7(5) . . ?
C12' C7' C8' 117.4(5) . . ?
C12' C7' C6' 117.9(5) . . ?
C8' C7' C6' 124.6(5) . . ?
C7' C8' C9' 121.5(6) . . ?
C7' C8' H8' 119.3 . . ?
C9' C8' H8' 119.3 . . ?
C10' C9' C8' 119.7(6) . . ?
C10' C9' H9' 120.1 . . ?
C8' C9' H9' 120.1 . . ?
C9' C10' C11' 120.9(5) . . ?
C9' C10' H10' 119.6 . . ?
C11' C10' H10' 119.6 . . ?
C10' C11' C12' 117.4(5) . . ?
C10' C11' P2' 121.2(4) . . ?
C12' C11' P2' 121.2(4) . . ?
C7' C12' O1' 120.6(5) . . ?
C7' C12' C11' 122.3(5) . . ?
O1' C12' C11' 117.0(5) . . ?
C5' C13' C1' 123.3(5) . . ?
C5' C13' O1' 121.5(5) . . ?
C1' C13' O1' 115.2(5) . . ?
C6' C14' H14D 109.5 . . ?
C6' C14' H14E 109.5 . . ?
H14D C14' H14E 109.5 . . ?
C6' C14' H14F 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C6' C15' H15D 109.5 . . ?
C6' C15' H15E 109.5 . . ?
H15D C15' H15E 109.5 . . ?
C6' C15' H15F 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
C2A' C1A' C6A' 120.1(5) . . ?
C2A' C1A' P1' 118.5(4) . . ?
C6A' C1A' P1' 121.1(5) . . ?
C1A' C2A' C3A' 120.7(5) . . ?
C1A' C2A' H2A' 119.6 . . ?
C3A' C2A' H2A' 119.6 . . ?
C4A' C3A' C2A' 119.0(6) . . ?
C4A' C3A' H3A' 120.5 . . ?
C2A' C3A' H3A' 120.5 . . ?
C5A' C4A' C3A' 120.0(6) . . ?
C5A' C4A' H4A' 120.0 . . ?
C3A' C4A' H4A' 120.0 . . ?
C4A' C5A' C6A' 121.1(6) . . ?
C4A' C5A' H5A' 119.5 . . ?
C6A' C5A' H5A' 119.5 . . ?
C5A' C6A' C1A' 119.0(6) . . ?
C5A' C6A' H6A' 120.5 . . ?
C1A' C6A' H6A' 120.5 . . ?
C6B' C1B' C2B' 119.8(5) . . ?
C6B' C1B' P1' 120.3(4) . . ?
C2B' C1B' P1' 119.6(4) . . ?
C3B' C2B' C1B' 119.9(6) . . ?
C3B' C2B' H2B' 120.0 . . ?
C1B' C2B' H2B' 120.0 . . ?
C4B' C3B' C2B' 119.8(6) . . ?
C4B' C3B' H3B' 120.1 . . ?
C2B' C3B' H3B' 120.1 . . ?
C3B' C4B' C5B' 121.3(6) . . ?
C3B' C4B' H4B' 119.3 . . ?
C5B' C4B' H4B' 119.3 . . ?
C4B' C5B' C6B' 118.4(6) . . ?
C4B' C5B' H5B' 120.8 . . ?
C6B' C5B' H5B' 120.8 . . ?
C1B' C6B' C5B' 120.7(6) . . ?
C1B' C6B' H6B' 119.7 . . ?
C5B' C6B' H6B' 119.7 . . ?
C2C' C1C' C6C' 119.6(5) . . ?
C2C' C1C' P2' 118.5(4) . . ?
C6C' C1C' P2' 121.5(5) . . ?
C3C' C2C' C1C' 120.6(6) . . ?
C3C' C2C' H2C' 119.7 . . ?
C1C' C2C' H2C' 119.7 . . ?
C4C' C3C' C2C' 120.2(6) . . ?
C4C' C3C' H3C' 119.9 . . ?
C2C' C3C' H3C' 119.9 . . ?
C3C' C4C' C5C' 120.5(6) . . ?
C3C' C4C' H4C' 119.8 . . ?
C5C' C4C' H4C' 119.8 . . ?
C4C' C5C' C6C' 120.6(6) . . ?
C4C' C5C' H5C' 119.7 . . ?
C6C' C5C' H5C' 119.7 . . ?
C5C' C6C' C1C' 118.5(6) . . ?
C5C' C6C' H6C' 120.8 . . ?
C1C' C6C' H6C' 120.8 . . ?
C6D' C1D' C2D' 119.9(5) . . ?
C6D' C1D' P2' 118.7(4) . . ?
C2D' C1D' P2' 121.3(4) . . ?
C1D' C2D' C3D' 119.5(6) . . ?
C1D' C2D' H2D' 120.2 . . ?
C3D' C2D' H2D' 120.2 . . ?
C4D' C3D' C2D' 120.3(6) . . ?
C4D' C3D' H3D' 119.9 . . ?
C2D' C3D' H3D' 119.9 . . ?
C3D' C4D' C5D' 120.1(5) . . ?
C3D' C4D' H4D' 119.9 . . ?
C5D' C4D' H4D' 119.9 . . ?
C4D' C5D' C6D' 120.0(6) . . ?
C4D' C5D' H5D' 120.0 . . ?
C6D' C5D' H5D' 120.0 . . ?
C1D' C6D' C5D' 120.0(5) . . ?
C1D' C6D' H6D' 120.0 . . ?
C5D' C6D' H6D' 120.0 . . ?
O4 N1 O2 130.1(15) . . ?
O4 N1 O3 118.1(12) . . ?
O2 N1 O3 111.7(9) . . ?
O5 N2 O7 120.9(6) . . ?
O5 N2 O6 120.4(6) . . ?
O7 N2 O6 118.7(6) . . ?
Cl2 C16 Cl1 112.2(4) . . ?
Cl2 C16 H16A 109.2 . . ?
Cl1 C16 H16A 109.2 . . ?
Cl2 C16 H16B 109.2 . . ?
Cl1 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
Cl3 C17 Cl4 111.4(4) . . ?
Cl3 C17 H17A 109.3 . . ?
Cl4 C17 H17A 109.3 . . ?
Cl3 C17 H17B 109.3 . . ?
Cl4 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
H8A O8 H8B 108(3) . . ?

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
P2' Au1 P1 C1B -78.0(2) . . . . ?
Au1' Au1 P1 C1B 131.82(18) . . . . ?
P2' Au1 P1 C1A 159.4(2) . . . . ?
Au1' Au1 P1 C1A 9.2(2) . . . . ?
P2' Au1 P1 C1 34.4(3) . . . . ?
Au1' Au1 P1 C1 -115.76(19) . . . . ?
C1B P1 C1 C13 174.2(4) . . . . ?
C1A P1 C1 C13 -75.0(5) . . . . ?
Au1 P1 C1 C13 58.2(5) . . . . ?
C1B P1 C1 C2 1.4(5) . . . . ?
C1A P1 C1 C2 112.2(5) . . . . ?
Au1 P1 C1 C2 -114.6(4) . . . . ?
C13 C1 C2 C3 -0.3(8) . . . . ?
P1 C1 C2 C3 172.8(4) . . . . ?
C1 C2 C3 C4 -1.3(9) . . . . ?
C2 C3 C4 C5 2.6(9) . . . . ?
C3 C4 C5 C13 -2.1(9) . . . . ?
C3 C4 C5 C6 176.2(6) . . . . ?
C4 C5 C6 C7 147.4(6) . . . . ?
C13 C5 C6 C7 -34.2(7) . . . . ?
C4 C5 C6 C15 23.1(8) . . . . ?
C13 C5 C6 C15 -158.6(6) . . . . ?
C4 C5 C6 C14 -97.2(7) . . . . ?
C13 C5 C6 C14 81.1(6) . . . . ?
C5 C6 C7 C8 -148.9(6) . . . . ?
C15 C6 C7 C8 -25.5(8) . . . . ?
C14 C6 C7 C8 94.9(7) . . . . ?
C5 C6 C7 C12 38.5(7) . . . . ?
C15 C6 C7 C12 162.0(5) . . . . ?
C14 C6 C7 C12 -77.7(6) . . . . ?
C12 C7 C8 C9 2.5(9) . . . . ?
C6 C7 C8 C9 -170.0(6) . . . . ?
C7 C8 C9 C10 2.8(10) . . . . ?
C8 C9 C10 C11 -2.6(10) . . . . ?
C9 C10 C11 C12 -2.6(9) . . . . ?
C9 C10 C11 P2 167.7(5) . . . . ?
C1C P2 C11 C12 54.7(5) . . . . ?
C1D P2 C11 C12 165.4(5) . . . . ?
Au1' P2 C11 C12 -75.1(5) . . . . ?
C1C P2 C11 C10 -115.4(5) . . . . ?
C1D P2 C11 C10 -4.7(5) . . . . ?
Au1' P2 C11 C10 114.8(4) . . . . ?
C13 O1 C12 C7 -22.9(7) . . . . ?
C13 O1 C12 C11 160.0(5) . . . . ?
C8 C7 C12 O1 175.0(5) . . . . ?
C6 C7 C12 O1 -12.0(8) . . . . ?
C8 C7 C12 C11 -7.9(8) . . . . ?
C6 C7 C12 C11 165.1(5) . . . . ?
C10 C11 C12 O1 -174.8(5) . . . . ?
P2 C11 C12 O1 14.8(7) . . . . ?
C10 C11 C12 C7 8.0(8) . . . . ?
P2 C11 C12 C7 -162.4(5) . . . . ?
C4 C5 C13 C1 0.4(8) . . . . ?
C6 C5 C13 C1 -178.0(5) . . . . ?
C4 C5 C13 O1 -178.6(5) . . . . ?
C6 C5 C13 O1 3.0(8) . . . . ?
C2 C1 C13 C5 0.8(8) . . . . ?
P1 C1 C13 C5 -172.1(4) . . . . ?
C2 C1 C13 O1 179.8(5) . . . . ?
P1 C1 C13 O1 6.9(7) . . . . ?
C12 O1 C13 C5 27.6(7) . . . . ?
C12 O1 C13 C1 -151.4(5) . . . . ?
C1B P1 C1A C6A 94.6(5) . . . . ?
C1 P1 C1A C6A -16.8(6) . . . . ?
Au1 P1 C1A C6A -140.1(4) . . . . ?
C1B P1 C1A C2A -78.2(5) . . . . ?
C1 P1 C1A C2A 170.4(5) . . . . ?
Au1 P1 C1A C2A 47.1(6) . . . . ?
C6A C1A C2A C3A -1.8(10) . . . . ?
P1 C1A C2A C3A 171.1(5) . . . . ?
C1A C2A C3A C4A 1.6(10) . . . . ?
C2A C3A C4A C5A -0.3(10) . . . . ?
C3A C4A C5A C6A -0.9(10) . . . . ?
C2A C1A C6A C5A 0.7(9) . . . . ?
P1 C1A C6A C5A -172.1(5) . . . . ?
C4A C5A C6A C1A 0.7(10) . . . . ?
C1A P1 C1B C6B 139.3(5) . . . . ?
C1 P1 C1B C6B -106.4(5) . . . . ?
Au1 P1 C1B C6B 6.2(5) . . . . ?
C1A P1 C1B C2B -43.4(5) . . . . ?
C1 P1 C1B C2B 70.9(5) . . . . ?
Au1 P1 C1B C2B -176.5(4) . . . . ?
C6B C1B C2B C3B 1.1(8) . . . . ?
P1 C1B C2B C3B -176.2(4) . . . . ?
C1B C2B C3B C4B 0.4(9) . . . . ?
C2B C3B C4B C5B -1.7(9) . . . . ?
C3B C4B C5B C6B 1.5(9) . . . . ?
C4B C5B C6B C1B 0.1(9) . . . . ?
C2B C1B C6B C5B -1.4(9) . . . . ?
P1 C1B C6B C5B 175.9(5) . . . . ?
C11 P2 C1C C6C -160.9(5) . . . . ?
C1D P2 C1C C6C 90.4(5) . . . . ?
Au1' P2 C1C C6C -25.4(5) . . . . ?
C11 P2 C1C C2C 22.3(6) . . . . ?
C1D P2 C1C C2C -86.5(6) . . . . ?
Au1' P2 C1C C2C 157.7(5) . . . . ?
C6C C1C C2C C3C 0.3(10) . . . . ?
P2 C1C C2C C3C 177.2(5) . . . . ?
C1C C2C C3C C4C -0.1(11) . . . . ?
C2C C3C C4C C5C -0.9(10) . . . . ?
C3C C4C C5C C6C 1.7(9) . . . . ?
C2C C1C C6C C5C 0.5(9) . . . . ?
P2 C1C C6C C5C -176.4(5) . . . . ?
C4C C5C C6C C1C -1.5(9) . . . . ?
C11 P2 C1D C2D 109.4(6) . . . . ?
C1C P2 C1D C2D -140.7(6) . . . . ?
Au1' P2 C1D C2D -20.8(6) . . . . ?
C11 P2 C1D C6D -70.6(5) . . . . ?
C1C P2 C1D C6D 39.3(6) . . . . ?
Au1' P2 C1D C6D 159.2(5) . . . . ?
C6D C1D C2D C3D 2.3(11) . . . . ?
P2 C1D C2D C3D -177.8(6) . . . . ?
C1D C2D C3D C4D -1.9(12) . . . . ?
C2D C3D C4D C5D 0.5(11) . . . . ?
C3D C4D C5D C6D 0.5(10) . . . . ?
C4D C5D C6D C1D -0.1(10) . . . . ?
C2D C1D C6D C5D -1.3(10) . . . . ?
P2 C1D C6D C5D 178.8(5) . . . . ?
C11 P2 Au1' P1' -131.0(3) . . . . ?
C1C P2 Au1' P1' 102.5(2) . . . . ?
C1D P2 Au1' P1' -13.0(3) . . . . ?
C11 P2 Au1' Au1 22.8(2) . . . . ?
C1C P2 Au1' Au1 -103.7(2) . . . . ?
C1D P2 Au1' Au1 140.8(2) . . . . ?
P1 Au1 Au1' P2 78.52(5) . . . . ?
P2' Au1 Au1' P2 -91.16(5) . . . . ?
P1 Au1 Au1' P1' -110.30(5) . . . . ?
P2' Au1 Au1' P1' 80.02(5) . . . . ?
P2 Au1' P1' C1A' 154.1(2) . . . . ?
Au1 Au1' P1' C1A' -0.3(2) . . . . ?
P2 Au1' P1' C1B' -79.1(3) . . . . ?
Au1 Au1' P1' C1B' 126.5(2) . . . . ?
P2 Au1' P1' C1' 32.5(3) . . . . ?
Au1 Au1' P1' C1' -121.93(19) . . . . ?
P1 Au1 P2' C1C' 102.2(2) . . . . ?
Au1' Au1 P2' C1C' -107.9(2) . . . . ?
P1 Au1 P2' C11' -125.2(2) . . . . ?
Au1' Au1 P2' C11' 24.7(2) . . . . ?
P1 Au1 P2' C1D' -11.1(3) . . . . ?
Au1' Au1 P2' C1D' 138.79(19) . . . . ?
C1A' P1' C1' C2' 118.5(5) . . . . ?
C1B' P1' C1' C2' 8.0(5) . . . . ?
Au1' P1' C1' C2' -110.7(4) . . . . ?
C1A' P1' C1' C13' -71.7(5) . . . . ?
C1B' P1' C1' C13' 177.8(4) . . . . ?
Au1' P1' C1' C13' 59.0(4) . . . . ?
C13' C1' C2' C3' -1.3(8) . . . . ?
P1' C1' C2' C3' 168.9(4) . . . . ?
C1' C2' C3' C4' -0.5(9) . . . . ?
C2' C3' C4' C5' 2.1(9) . . . . ?
C3' C4' C5' C13' -1.9(8) . . . . ?
C3' C4' C5' C6' 176.7(5) . . . . ?
C13' C5' C6' C7' -37.1(7) . . . . ?
C4' C5' C6' C7' 144.3(5) . . . . ?
C13' C5' C6' C15' -160.4(5) . . . . ?
C4' C5' C6' C15' 21.0(8) . . . . ?
C13' C5' C6' C14' 79.2(6) . . . . ?
C4' C5' C6' C14' -99.4(6) . . . . ?
C5' C6' C7' C12' 43.0(7) . . . . ?
C15' C6' C7' C12' 166.6(5) . . . . ?
C14' C6' C7' C12' -73.7(6) . . . . ?
C5' C6' C7' C8' -142.5(6) . . . . ?
C15' C6' C7' C8' -19.0(8) . . . . ?
C14' C6' C7' C8' 100.7(7) . . . . ?
C12' C7' C8' C9' 4.5(9) . . . . ?
C6' C7' C8' C9' -169.9(6) . . . . ?
C7' C8' C9' C10' 2.9(10) . . . . ?
C8' C9' C10' C11' -4.6(10) . . . . ?
C9' C10' C11' C12' -1.2(9) . . . . ?
C9' C10' C11' P2' 174.1(5) . . . . ?
C1C' P2' C11' C10' -116.5(5) . . . . ?
C1D' P2' C11' C10' -6.5(5) . . . . ?
Au1 P2' C11' C10' 107.0(5) . . . . ?
C1C' P2' C11' C12' 58.7(5) . . . . ?
C1D' P2' C11' C12' 168.7(5) . . . . ?
Au1 P2' C11' C12' -77.9(5) . . . . ?
C8' C7' C12' O1' 171.3(5) . . . . ?
C6' C7' C12' O1' -13.9(8) . . . . ?
C8' C7' C12' C11' -10.7(8) . . . . ?
C6' C7' C12' C11' 164.2(5) . . . . ?
C13' O1' C12' C7' -24.4(7) . . . . ?
C13' O1' C12' C11' 157.5(5) . . . . ?
C10' C11' C12' C7' 9.1(8) . . . . ?
P2' C11' C12' C7' -166.2(4) . . . . ?
C10' C11' C12' O1' -172.8(5) . . . . ?
P2' C11' C12' O1' 11.9(7) . . . . ?
C4' C5' C13' C1' 0.1(8) . . . . ?
C6' C5' C13' C1' -178.6(5) . . . . ?
C4' C5' C13' O1' -178.9(5) . . . . ?
C6' C5' C13' O1' 2.4(8) . . . . ?
C2' C1' C13' C5' 1.5(8) . . . . ?
P1' C1' C13' C5' -168.6(4) . . . . ?
C2' C1' C13' O1' -179.5(4) . . . . ?
P1' C1' C13' O1' 10.4(6) . . . . ?
C12' O1' C13' C5' 30.7(7) . . . . ?
C12' O1' C13' C1' -148.4(5) . . . . ?
C1B' P1' C1A' C2A' -68.4(5) . . . . ?
C1' P1' C1A' C2A' -179.0(4) . . . . ?
Au1' P1' C1A' C2A' 62.6(5) . . . . ?
C1B' P1' C1A' C6A' 105.8(5) . . . . ?
C1' P1' C1A' C6A' -4.7(5) . . . . ?
Au1' P1' C1A' C6A' -123.1(4) . . . . ?
C6A' C1A' C2A' C3A' -2.0(8) . . . . ?
P1' C1A' C2A' C3A' 172.3(4) . . . . ?
C1A' C2A' C3A' C4A' 1.0(8) . . . . ?
C2A' C3A' C4A' C5A' 0.6(9) . . . . ?
C3A' C4A' C5A' C6A' -1.2(9) . . . . ?
C4A' C5A' C6A' C1A' 0.3(9) . . . . ?
C2A' C1A' C6A' C5A' 1.4(8) . . . . ?
P1' C1A' C6A' C5A' -172.8(4) . . . . ?
C1A' P1' C1B' C6B' 147.2(5) . . . . ?
C1' P1' C1B' C6B' -99.0(5) . . . . ?
Au1' P1' C1B' C6B' 11.2(5) . . . . ?
C1A' P1' C1B' C2B' -39.8(5) . . . . ?
C1' P1' C1B' C2B' 74.0(5) . . . . ?
Au1' P1' C1B' C2B' -175.7(4) . . . . ?
C6B' C1B' C2B' C3B' -0.2(9) . . . . ?
P1' C1B' C2B' C3B' -173.3(5) . . . . ?
C1B' C2B' C3B' C4B' -0.7(9) . . . . ?
C2B' C3B' C4B' C5B' 0.2(10) . . . . ?
C3B' C4B' C5B' C6B' 1.1(11) . . . . ?
C2B' C1B' C6B' C5B' 1.5(9) . . . . ?
P1' C1B' C6B' C5B' 174.6(5) . . . . ?
C4B' C5B' C6B' C1B' -1.9(10) . . . . ?
C11' P2' C1C' C2C' -163.2(4) . . . . ?
C1D' P2' C1C' C2C' 87.3(5) . . . . ?
Au1 P2' C1C' C2C' -24.8(5) . . . . ?
C11' P2' C1C' C6C' 24.0(5) . . . . ?
C1D' P2' C1C' C6C' -85.5(5) . . . . ?
Au1 P2' C1C' C6C' 162.4(4) . . . . ?
C6C' C1C' C2C' C3C' 3.2(8) . . . . ?
P2' C1C' C2C' C3C' -169.7(4) . . . . ?
C1C' C2C' C3C' C4C' -2.4(9) . . . . ?
C2C' C3C' C4C' C5C' 0.3(10) . . . . ?
C3C' C4C' C5C' C6C' 1.0(10) . . . . ?
C4C' C5C' C6C' C1C' -0.2(10) . . . . ?
C2C' C1C' C6C' C5C' -1.9(9) . . . . ?
P2' C1C' C6C' C5C' 170.8(5) . . . . ?
C1C' P2' C1D' C6D' -159.4(5) . . . . ?
C11' P2' C1D' C6D' 88.5(5) . . . . ?
Au1 P2' C1D' C6D' -37.4(5) . . . . ?
C1C' P2' C1D' C2D' 17.1(6) . . . . ?
C11' P2' C1D' C2D' -94.9(5) . . . . ?
Au1 P2' C1D' C2D' 139.2(5) . . . . ?
C6D' C1D' C2D' C3D' -2.2(9) . . . . ?
P2' C1D' C2D' C3D' -178.7(5) . . . . ?
C1D' C2D' C3D' C4D' 1.2(10) . . . . ?
C2D' C3D' C4D' C5D' -0.2(10) . . . . ?
C3D' C4D' C5D' C6D' 0.2(10) . . . . ?
C2D' C1D' C6D' C5D' 2.2(9) . . . . ?
P2' C1D' C6D' C5D' 178.8(5) . . . . ?
C4D' C5D' C6D' C1D' -1.2(10) . . . . ?


_refine_diff_density_max         2.371
_refine_diff_density_min         -1.570
_refine_diff_density_rms         0.148
_database_code_depnum_ccdc_archive 'CCDC 942204'
data_IB(RT)

_publ_requested_journal          CrystEngComm
_publ_contact_author_name        "Andrea Deák"
_publ_contact_author_address     
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67, 
Hungary
;

_publ_contact_author_email       deak.andrea@ttk.mta.hu
_publ_contact_author_phone       00-36-1-438-1161/327
_publ_contact_author_fax         00-36-1-438-1143
loop_
_publ_author_name
_publ_author_address
"Csaba Jobbágy"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Miklós Molnár"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Péter Baranyai"
; MTA TTK MFI
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
'Andrea Hamza'
; MTA TTK SZKI
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Gábor Pálinkás"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;
"Andrea Deák"
; MTA TTK SZKI Lendület Supramolecular Chemistry Laboratory 
H-1025 Budapest, 
Pusztaszeri út 59-67 
Hungary
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C78 H64 Au2 O2 P4, 2(N O3),  2.26(C H2 Cl2)'
_chemical_formula_sum            'C80.26 H68.53 Au2 Cl4.53 N2 O8 P4'
_chemical_formula_weight         1867.39

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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'

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                   21.374(5)
_cell_length_b                   16.820(5)
_cell_length_c                   22.250(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.595(5)
_cell_angle_gamma                90.00
_cell_volume                     7625(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    27192
_cell_measurement_theta_min      2.9693
_cell_measurement_theta_max      35.7308



_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.31
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3692.4
_exptl_absorpt_coefficient_mu    4.143
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2264
_exptl_absorpt_correction_T_max  0.3418
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC, 2005)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      295(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  'R Axis Rapid'
_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            6726
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2252
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_theta_min         3.00
_diffrn_reflns_theta_max         25.03
_reflns_number_total             6726
_reflns_number_gt                4555
_reflns_threshold_expression     >2sigma(I)
_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 0.996

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'WinGX (Farrugia, 1999), PLATON (Spek, 2003)'

_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)+(0.0119P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6726
_refine_ls_number_parameters     460
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0393
_refine_ls_wR_factor_ref         0.0687
_refine_ls_wR_factor_gt          0.0603
_refine_ls_goodness_of_fit_ref   0.872
_refine_ls_restrained_S_all      0.884
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.438
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.102

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 1.003371(12) 0.637450(15) 0.187295(11) 0.03886(10) Uani 1 1 d . . .
P1 P 0.91324(7) 0.72358(9) 0.15434(7) 0.0402(4) Uani 1 1 d . . .
P2 P 0.91674(7) 0.54056(9) 0.30707(7) 0.0385(3) Uani 1 1 d . . .
O1 O 0.8510(2) 0.5722(3) 0.16735(19) 0.0470(10) Uani 1 1 d . . .
C1 C 0.8537(3) 0.6696(4) 0.0918(3) 0.0438(15) Uani 1 1 d . . .
C1A C 0.8700(3) 0.7579(4) 0.2089(3) 0.0404(14) Uani 1 1 d . . .
C1B C 0.9305(3) 0.8130(4) 0.1191(3) 0.0448(15) Uani 1 1 d . . .
C1C C 0.8413(3) 0.5789(4) 0.3173(3) 0.0440(15) Uani 1 1 d . . .
C1D C 0.9508(3) 0.4785(4) 0.3759(3) 0.0402(14) Uani 1 1 d . . .
C2 C 0.8322(3) 0.6999(4) 0.0308(3) 0.0518(17) Uani 1 1 d . . .
H2 H 0.8441 0.7506 0.0218 0.062 Uiso 1 1 calc R . .
C2A C 0.8021(3) 0.7453(5) 0.1944(3) 0.0572(18) Uani 1 1 d . . .
H2A H 0.7804 0.7132 0.1604 0.069 Uiso 1 1 calc R . .
C2B C 0.8948(3) 0.8827(4) 0.1178(4) 0.0563(18) Uani 1 1 d . . .
H2B H 0.8616 0.8840 0.1368 0.068 Uiso 1 1 calc R . .
C2C C 0.7819(4) 0.5365(6) 0.2943(4) 0.075(2) Uani 1 1 d . . .
H2C H 0.7792 0.4926 0.2682 0.090 Uiso 1 1 calc R . .
C2D C 0.9198(4) 0.4655(4) 0.4199(3) 0.0560(18) Uani 1 1 d . . .
H2D H 0.8796 0.4898 0.4159 0.067 Uiso 1 1 calc R . .
C3 C 0.7921(4) 0.6518(5) -0.0166(3) 0.0626(19) Uani 1 1 d . . .
H3 H 0.7768 0.6710 -0.0576 0.075 Uiso 1 1 calc R . .
C3A C 0.7674(4) 0.7811(5) 0.2312(4) 0.065(2) Uani 1 1 d . . .
H3A H 0.7226 0.7722 0.2223 0.078 Uiso 1 1 calc R . .
C3B C 0.9088(4) 0.9506(5) 0.0880(4) 0.070(2) Uani 1 1 d . . .
H3B H 0.8847 0.9969 0.0871 0.084 Uiso 1 1 calc R . .
C3C C 0.7283(4) 0.5609(7) 0.3109(5) 0.092(3) Uani 1 1 d . . .
H3C H 0.6888 0.5340 0.2949 0.111 Uiso 1 1 calc R . .
C3D C 0.9483(4) 0.4155(5) 0.4714(4) 0.066(2) Uani 1 1 d . . .
H3D H 0.9266 0.4063 0.5012 0.079 Uiso 1 1 calc R . .
C4 C 0.7751(4) 0.5776(5) -0.0036(3) 0.0563(18) Uani 1 1 d . . .
H4 H 0.7495 0.5467 -0.0366 0.068 Uiso 1 1 calc R . .
C4A C 0.7995(4) 0.8292(5) 0.2802(4) 0.071(2) Uani 1 1 d . . .
H4A H 0.7762 0.8542 0.3040 0.085 Uiso 1 1 calc R . .
C4B C 0.9579(5) 0.9491(5) 0.0602(4) 0.074(2) Uani 1 1 d . . .
H4B H 0.9678 0.9950 0.0417 0.089 Uiso 1 1 calc R . .
C4C C 0.7313(4) 0.6228(6) 0.3498(4) 0.081(3) Uani 1 1 d . . .
H4C H 0.6946 0.6379 0.3612 0.097 Uiso 1 1 calc R . .
C4D C 1.0063(4) 0.3808(5) 0.4782(4) 0.075(2) Uani 1 1 d . . .
H4D H 1.0245 0.3472 0.5122 0.090 Uiso 1 1 calc R . .
C5 C 0.7940(3) 0.5458(4) 0.0562(3) 0.0442(15) Uani 1 1 d . . .
C5A C 0.8649(5) 0.8404(5) 0.2944(4) 0.073(2) Uani 1 1 d . . .
H5A H 0.8863 0.8720 0.3287 0.088 Uiso 1 1 calc R . .
C5B C 0.9922(4) 0.8817(5) 0.0594(4) 0.065(2) Uani 1 1 d . . .
H5B H 1.0244 0.8808 0.0392 0.078 Uiso 1 1 calc R . .
C5C C 0.7903(5) 0.6641(5) 0.3728(4) 0.071(2) Uani 1 1 d . . .
H5C H 0.7929 0.7073 0.3996 0.085 Uiso 1 1 calc R . .
C5D C 1.0399(4) 0.3952(5) 0.4336(4) 0.074(2) Uani 1 1 d . . .
H5D H 1.0805 0.3717 0.4382 0.089 Uiso 1 1 calc R . .
C6 C 0.7727(3) 0.4660(4) 0.0729(3) 0.0532(17) Uani 1 1 d . . .
C6A C 0.9013(4) 0.8060(5) 0.2588(3) 0.0568(19) Uani 1 1 d . . .
H6A H 0.9461 0.8154 0.2687 0.068 Uiso 1 1 calc R . .
C6B C 0.9790(4) 0.8139(5) 0.0889(4) 0.0582(18) Uani 1 1 d . . .
H6B H 1.0030 0.7679 0.0884 0.070 Uiso 1 1 calc R . .
C6C C 0.8437(3) 0.6418(5) 0.3565(3) 0.0543(16) Uani 1 1 d . . .
H6C H 0.8827 0.6699 0.3723 0.065 Uiso 1 1 calc R . .
C6D C 1.0125(3) 0.4437(5) 0.3842(3) 0.060(2) Uani 1 1 d . . .
H6D H 1.0350 0.4543 0.3553 0.071 Uiso 1 1 calc R . .
C7 C 0.8240(3) 0.4371(4) 0.1350(3) 0.0417(14) Uani 1 1 d . . .
C8 C 0.8360(3) 0.3566(4) 0.1482(3) 0.0532(16) Uani 1 1 d . . .
H8 H 0.8169 0.3188 0.1177 0.064 Uiso 1 1 calc R . .
C9 C 0.8764(4) 0.3330(4) 0.2068(4) 0.0613(19) Uani 1 1 d . . .
H9 H 0.8866 0.2795 0.2146 0.074 Uiso 1 1 calc R . .
C10 C 0.9012(4) 0.3879(4) 0.2531(3) 0.0555(18) Uani 1 1 d . . .
H10 H 0.9254 0.3708 0.2931 0.067 Uiso 1 1 calc R . .
C11 C 0.8908(3) 0.4713(4) 0.2413(3) 0.0421(15) Uani 1 1 d . . .
C12 C 0.8554(3) 0.4921(3) 0.1800(3) 0.0402(14) Uani 1 1 d . . .
C13 C 0.8328(3) 0.5956(4) 0.1044(3) 0.0403(14) Uani 1 1 d . . .
C14 C 0.7062(3) 0.4747(6) 0.0864(4) 0.081(3) Uani 1 1 d . . .
H14A H 0.6747 0.4980 0.0505 0.122 Uiso 1 1 calc R . .
H14B H 0.7117 0.5082 0.1225 0.122 Uiso 1 1 calc R . .
H14C H 0.6911 0.4232 0.0945 0.122 Uiso 1 1 calc R . .
C15 C 0.7653(5) 0.4070(5) 0.0186(4) 0.084(3) Uani 1 1 d . . .
H15A H 0.8067 0.4009 0.0106 0.127 Uiso 1 1 calc R . .
H15B H 0.7333 0.4267 -0.0186 0.127 Uiso 1 1 calc R . .
H15C H 0.7512 0.3565 0.0299 0.127 Uiso 1 1 calc R . .
O2 O 0.5860(5) 0.6308(7) 0.4582(6) 0.163(4) Uani 1 1 d . . .
O3 O 0.6471(8) 0.7269(8) 0.4470(9) 0.237(9) Uani 1 1 d . . .
O4 O 0.6112(6) 0.7204(7) 0.5205(7) 0.186(5) Uani 1 1 d . . .
N1 N 0.6130(5) 0.6913(5) 0.4654(7) 0.110(3) Uani 1 1 d . . .
C16 C 0.5764(10) 0.654(2) 0.1194(13) 0.39(5) Uani 0.632(17) 1 d PD . .
H16A H 0.5553 0.6243 0.0815 0.473 Uiso 0.632(17) 1 calc PR . .
H16B H 0.5419 0.6775 0.1339 0.473 Uiso 0.632(17) 1 calc PR . .
Cl1 Cl 0.6164(8) 0.7249(11) 0.1009(7) 0.330(10) Uani 0.632(17) 1 d PD . .
Cl2 Cl 0.6178(8) 0.5930(11) 0.1730(7) 0.330(10) Uani 0.632(17) 1 d PD . .
C17 C 0.529(5) 0.572(6) 0.268(4) 0.534(19) Uani 0.50 1 d PD . .
H17A H 0.5155 0.6225 0.2471 0.641 Uiso 0.50 1 calc PR . .
H17B H 0.5634 0.5799 0.3073 0.641 Uiso 0.50 1 calc PR . .
Cl3 Cl 0.5498(6) 0.5063(12) 0.2213(7) 0.534(19) 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 P2 2.3362(16) 2_755 ?
Au1 P1 2.3438(16) . ?
Au1 Au1 2.8373(8) 2_755 ?
P1 C1B 1.786(7) . ?
P1 C1 1.819(6) . ?
P1 C1A 1.828(6) . ?
P2 C1D 1.814(6) . ?
P2 C1C 1.814(7) . ?
P2 C11 1.821(6) . ?
P2 Au1 2.3362(16) 2_755 ?
O1 C12 1.374(7) . ?
O1 C13 1.392(7) . ?
C1 C13 1.379(9) . ?
C1 C2 1.393(9) . ?
C1A C6A 1.373(9) . ?
C1A C2A 1.404(9) . ?
C1B C2B 1.394(9) . ?
C1B C6B 1.396(10) . ?
C1C C6C 1.363(10) . ?
C1C C2C 1.411(10) . ?
C1D C2D 1.354(9) . ?
C1D C6D 1.404(10) . ?
C2 C3 1.398(10) . ?
C2 H2 0.9300 . ?
C2A C3A 1.397(10) . ?
C2A H2A 0.9300 . ?
C2B C3B 1.397(11) . ?
C2B H2B 0.9300 . ?
C2C C3C 1.369(12) . ?
C2C H2C 0.9300 . ?
C2D C3D 1.405(11) . ?
C2D H2D 0.9300 . ?
C3 C4 1.354(11) . ?
C3 H3 0.9300 . ?
C3A C4A 1.364(12) . ?
C3A H3A 0.9300 . ?
C3B C4B 1.371(12) . ?
C3B H3B 0.9300 . ?
C3C C4C 1.341(14) . ?
C3C H3C 0.9300 . ?
C3D C4D 1.337(12) . ?
C3D H3D 0.9300 . ?
C4 C5 1.377(10) . ?
C4 H4 0.9300 . ?
C4A C5A 1.352(12) . ?
C4A H4A 0.9300 . ?
C4B C5B 1.353(12) . ?
C4B H4B 0.9300 . ?
C4C C5C 1.395(13) . ?
C4C H4C 0.9300 . ?
C4D C5D 1.410(12) . ?
C4D H4D 0.9300 . ?
C5 C13 1.414(9) . ?
C5 C6 1.500(10) . ?
C5A C6A 1.391(11) . ?
C5A H5A 0.9300 . ?
C5B C6B 1.385(11) . ?
C5B H5B 0.9300 . ?
C5C C6C 1.351(11) . ?
C5C H5C 0.9300 . ?
C5D C6D 1.352(10) . ?
C5D H5D 0.9300 . ?
C6 C15 1.532(11) . ?
C6 C14 1.547(11) . ?
C6 C7 1.560(9) . ?
C6A H6A 0.9300 . ?
C6B H6B 0.9300 . ?
C6C H6C 0.9300 . ?
C6D H6D 0.9300 . ?
C7 C12 1.380(9) . ?
C7 C8 1.392(10) . ?
C8 C9 1.387(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.365(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.432(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.390(9) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
O2 N1 1.155(12) . ?
O3 N1 1.114(12) . ?
O4 N1 1.332(17) . ?
C16 Cl1 1.586(18) . ?
C16 Cl2 1.624(17) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 Cl3 1.66(2) . ?
C17 Cl3 2.09(13) 2_655 ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
Cl3 C17 2.09(13) 2_655 ?

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
P2 Au1 P1 165.07(5) 2_755 . ?
P2 Au1 Au1 101.59(4) 2_755 2_755 ?
P1 Au1 Au1 91.51(4) . 2_755 ?
C1B P1 C1 106.0(3) . . ?
C1B P1 C1A 103.8(3) . . ?
C1 P1 C1A 106.8(3) . . ?
C1B P1 Au1 113.5(2) . . ?
C1 P1 Au1 104.5(2) . . ?
C1A P1 Au1 121.4(2) . . ?
C1D P2 C1C 104.1(3) . . ?
C1D P2 C11 104.9(3) . . ?
C1C P2 C11 105.2(3) . . ?
C1D P2 Au1 104.85(19) . 2_755 ?
C1C P2 Au1 114.1(2) . 2_755 ?
C11 P2 Au1 122.0(2) . 2_755 ?
C12 O1 C13 117.7(5) . . ?
C13 C1 C2 119.7(6) . . ?
C13 C1 P1 119.4(5) . . ?
C2 C1 P1 120.8(5) . . ?
C6A C1A C2A 119.5(6) . . ?
C6A C1A P1 120.2(5) . . ?
C2A C1A P1 119.6(5) . . ?
C2B C1B C6B 117.6(6) . . ?
C2B C1B P1 122.2(5) . . ?
C6B C1B P1 120.2(5) . . ?
C6C C1C C2C 118.7(6) . . ?
C6C C1C P2 119.6(5) . . ?
C2C C1C P2 120.8(5) . . ?
C2D C1D C6D 118.9(6) . . ?
C2D C1D P2 122.9(5) . . ?
C6D C1D P2 118.2(5) . . ?
C1 C2 C3 118.0(7) . . ?
C1 C2 H2 121.0 . . ?
C3 C2 H2 121.0 . . ?
C3A C2A C1A 119.6(7) . . ?
C3A C2A H2A 120.2 . . ?
C1A C2A H2A 120.2 . . ?
C1B C2B C3B 120.2(7) . . ?
C1B C2B H2B 119.9 . . ?
C3B C2B H2B 119.9 . . ?
C3C C2C C1C 119.0(8) . . ?
C3C C2C H2C 120.5 . . ?
C1C C2C H2C 120.5 . . ?
C1D C2D C3D 120.0(7) . . ?
C1D C2D H2D 120.0 . . ?
C3D C2D H2D 120.0 . . ?
C4 C3 C2 121.1(6) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C4A C3A C2A 119.9(7) . . ?
C4A C3A H3A 120.1 . . ?
C2A C3A H3A 120.1 . . ?
C4B C3B C2B 120.1(8) . . ?
C4B C3B H3B 119.9 . . ?
C2B C3B H3B 119.9 . . ?
C4C C3C C2C 121.7(9) . . ?
C4C C3C H3C 119.1 . . ?
C2C C3C H3C 119.1 . . ?
C4D C3D C2D 120.9(7) . . ?
C4D C3D H3D 119.6 . . ?
C2D C3D H3D 119.6 . . ?
C3 C4 C5 123.0(7) . . ?
C3 C4 H4 118.5 . . ?
C5 C4 H4 118.5 . . ?
C5A C4A C3A 120.2(7) . . ?
C5A C4A H4A 119.9 . . ?
C3A C4A H4A 119.9 . . ?
C5B C4B C3B 120.9(8) . . ?
C5B C4B H4B 119.6 . . ?
C3B C4B H4B 119.6 . . ?
C3C C4C C5C 119.1(8) . . ?
C3C C4C H4C 120.5 . . ?
C5C C4C H4C 120.5 . . ?
C3D C4D C5D 119.8(7) . . ?
C3D C4D H4D 120.1 . . ?
C5D C4D H4D 120.1 . . ?
C4 C5 C13 115.9(6) . . ?
C4 C5 C6 124.3(6) . . ?
C13 C5 C6 119.6(6) . . ?
C4A C5A C6A 121.7(8) . . ?
C4A C5A H5A 119.1 . . ?
C6A C5A H5A 119.1 . . ?
C4B C5B C6B 119.6(8) . . ?
C4B C5B H5B 120.2 . . ?
C6B C5B H5B 120.2 . . ?
C6C C5C C4C 120.4(8) . . ?
C6C C5C H5C 119.8 . . ?
C4C C5C H5C 119.8 . . ?
C6D C5D C4D 119.2(8) . . ?
C6D C5D H5D 120.4 . . ?
C4D C5D H5D 120.4 . . ?
C5 C6 C15 110.6(6) . . ?
C5 C6 C14 109.1(6) . . ?
C15 C6 C14 109.4(7) . . ?
C5 C6 C7 108.3(5) . . ?
C15 C6 C7 112.0(6) . . ?
C14 C6 C7 107.3(6) . . ?
C1A C6A C5A 119.1(7) . . ?
C1A C6A H6A 120.4 . . ?
C5A C6A H6A 120.4 . . ?
C5B C6B C1B 121.6(7) . . ?
C5B C6B H6B 119.2 . . ?
C1B C6B H6B 119.2 . . ?
C5C C6C C1C 121.1(7) . . ?
C5C C6C H6C 119.4 . . ?
C1C C6C H6C 119.4 . . ?
C5D C6D C1D 121.2(7) . . ?
C5D C6D H6D 119.4 . . ?
C1D C6D H6D 119.4 . . ?
C12 C7 C8 118.8(5) . . ?
C12 C7 C6 119.4(6) . . ?
C8 C7 C6 121.6(5) . . ?
C9 C8 C7 119.9(6) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C10 C9 C8 120.3(7) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 121.5(6) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C12 C11 C10 115.8(6) . . ?
C12 C11 P2 124.8(5) . . ?
C10 C11 P2 119.2(5) . . ?
O1 C12 C7 121.4(5) . . ?
O1 C12 C11 115.6(5) . . ?
C7 C12 C11 122.9(6) . . ?
C1 C13 O1 116.7(5) . . ?
C1 C13 C5 122.2(6) . . ?
O1 C13 C5 121.2(5) . . ?
C6 C14 H14A 109.5 . . ?
C6 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C6 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C6 C15 H15A 109.5 . . ?
C6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O3 N1 O2 141.0(18) . . ?
O3 N1 O4 110.1(15) . . ?
O2 N1 O4 107.5(13) . . ?
Cl1 C16 Cl2 116.7(14) . . ?
Cl1 C16 H16A 108.1 . . ?
Cl2 C16 H16A 108.1 . . ?
Cl1 C16 H16B 108.1 . . ?
Cl2 C16 H16B 108.1 . . ?
H16A C16 H16B 107.3 . . ?
Cl3 C17 Cl3 96(5) . 2_655 ?
Cl3 C17 H17A 112.6 . . ?
Cl3 C17 H17A 112.6 2_655 . ?
Cl3 C17 H17B 112.6 . . ?
Cl3 C17 H17B 112.6 2_655 . ?
H17A C17 H17B 110.1 . . ?


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
P2 Au1 P1 C1B -85.5(3) 2_755 . . . ?
Au1 Au1 P1 C1B 123.0(2) 2_755 . . . ?
P2 Au1 P1 C1 29.4(3) 2_755 . . . ?
Au1 Au1 P1 C1 -122.0(2) 2_755 . . . ?
P2 Au1 P1 C1A 149.8(3) 2_755 . . . ?
Au1 Au1 P1 C1A -1.7(2) 2_755 . . . ?
C1B P1 C1 C13 177.3(5) . . . . ?
C1A P1 C1 C13 -72.5(5) . . . . ?
Au1 P1 C1 C13 57.2(5) . . . . ?
C1B P1 C1 C2 1.3(6) . . . . ?
C1A P1 C1 C2 111.4(5) . . . . ?
Au1 P1 C1 C2 -118.8(5) . . . . ?
C1B P1 C1A C6A -63.4(6) . . . . ?
C1 P1 C1A C6A -175.1(5) . . . . ?
Au1 P1 C1A C6A 65.7(6) . . . . ?
C1B P1 C1A C2A 106.9(6) . . . . ?
C1 P1 C1A C2A -4.8(6) . . . . ?
Au1 P1 C1A C2A -124.0(5) . . . . ?
C1 P1 C1B C2B 90.3(6) . . . . ?
C1A P1 C1B C2B -21.9(6) . . . . ?
Au1 P1 C1B C2B -155.6(5) . . . . ?
C1 P1 C1B C6B -86.4(6) . . . . ?
C1A P1 C1B C6B 161.3(6) . . . . ?
Au1 P1 C1B C6B 27.6(6) . . . . ?
C1D P2 C1C C6C 80.3(6) . . . . ?
C11 P2 C1C C6C -169.6(5) . . . . ?
Au1 P2 C1C C6C -33.4(6) 2_755 . . . ?
C1D P2 C1C C2C -88.5(6) . . . . ?
C11 P2 C1C C2C 21.5(7) . . . . ?
Au1 P2 C1C C2C 157.8(6) 2_755 . . . ?
C1C P2 C1D C2D 3.0(6) . . . . ?
C11 P2 C1D C2D -107.3(6) . . . . ?
Au1 P2 C1D C2D 123.1(5) 2_755 . . . ?
C1C P2 C1D C6D -175.8(5) . . . . ?
C11 P2 C1D C6D 74.0(6) . . . . ?
Au1 P2 C1D C6D -55.7(6) 2_755 . . . ?
C13 C1 C2 C3 -3.0(9) . . . . ?
P1 C1 C2 C3 173.1(5) . . . . ?
C6A C1A C2A C3A -0.6(10) . . . . ?
P1 C1A C2A C3A -171.0(6) . . . . ?
C6B C1B C2B C3B -1.2(10) . . . . ?
P1 C1B C2B C3B -178.1(6) . . . . ?
C6C C1C C2C C3C 1.4(12) . . . . ?
P2 C1C C2C C3C 170.4(8) . . . . ?
C6D C1D C2D C3D -2.6(10) . . . . ?
P2 C1D C2D C3D 178.7(6) . . . . ?
C1 C2 C3 C4 -0.6(10) . . . . ?
C1A C2A C3A C4A 1.1(11) . . . . ?
C1B C2B C3B C4B -0.3(12) . . . . ?
C1C C2C C3C C4C -1.8(16) . . . . ?
C1D C2D C3D C4D 0.7(12) . . . . ?
C2 C3 C4 C5 2.1(12) . . . . ?
C2A C3A C4A C5A -1.8(13) . . . . ?
C2B C3B C4B C5B 2.0(13) . . . . ?
C2C C3C C4C C5C 1.2(16) . . . . ?
C2D C3D C4D C5D 0.8(13) . . . . ?
C3 C4 C5 C13 0.0(10) . . . . ?
C3 C4 C5 C6 176.1(7) . . . . ?
C3A C4A C5A C6A 2.0(13) . . . . ?
C3B C4B C5B C6B -2.1(13) . . . . ?
C3C C4C C5C C6C -0.4(13) . . . . ?
C3D C4D C5D C6D -0.5(13) . . . . ?
C4 C5 C6 C15 34.2(10) . . . . ?
C13 C5 C6 C15 -149.8(6) . . . . ?
C4 C5 C6 C14 -86.2(8) . . . . ?
C13 C5 C6 C14 89.8(7) . . . . ?
C4 C5 C6 C7 157.3(6) . . . . ?
C13 C5 C6 C7 -26.8(8) . . . . ?
C2A C1A C6A C5A 0.7(11) . . . . ?
P1 C1A C6A C5A 171.0(6) . . . . ?
C4A C5A C6A C1A -1.4(13) . . . . ?
C4B C5B C6B C1B 0.5(12) . . . . ?
C2B C1B C6B C5B 1.1(11) . . . . ?
P1 C1B C6B C5B 178.0(6) . . . . ?
C4C C5C C6C C1C 0.1(11) . . . . ?
C2C C1C C6C C5C -0.7(10) . . . . ?
P2 C1C C6C C5C -169.7(6) . . . . ?
C4D C5D C6D C1D -1.4(13) . . . . ?
C2D C1D C6D C5D 2.9(11) . . . . ?
P2 C1D C6D C5D -178.3(7) . . . . ?
C5 C6 C7 C12 33.1(8) . . . . ?
C15 C6 C7 C12 155.3(7) . . . . ?
C14 C6 C7 C12 -84.6(7) . . . . ?
C5 C6 C7 C8 -151.2(6) . . . . ?
C15 C6 C7 C8 -28.9(9) . . . . ?
C14 C6 C7 C8 91.1(8) . . . . ?
C12 C7 C8 C9 3.0(9) . . . . ?
C6 C7 C8 C9 -172.8(6) . . . . ?
C7 C8 C9 C10 4.2(11) . . . . ?
C8 C9 C10 C11 -4.9(11) . . . . ?
C9 C10 C11 C12 -1.4(10) . . . . ?
C9 C10 C11 P2 172.8(6) . . . . ?
C1D P2 C11 C12 172.7(5) . . . . ?
C1C P2 C11 C12 63.3(6) . . . . ?
Au1 P2 C11 C12 -68.7(6) 2_755 . . . ?
C1D P2 C11 C10 -0.9(6) . . . . ?
C1C P2 C11 C10 -110.3(6) . . . . ?
Au1 P2 C11 C10 117.7(5) 2_755 . . . ?
C13 O1 C12 C7 -20.1(8) . . . . ?
C13 O1 C12 C11 162.5(5) . . . . ?
C8 C7 C12 O1 173.0(5) . . . . ?
C6 C7 C12 O1 -11.1(9) . . . . ?
C8 C7 C12 C11 -9.8(9) . . . . ?
C6 C7 C12 C11 166.1(6) . . . . ?
C10 C11 C12 O1 -173.8(5) . . . . ?
P2 C11 C12 O1 12.4(8) . . . . ?
C10 C11 C12 C7 8.8(9) . . . . ?
P2 C11 C12 C7 -165.0(5) . . . . ?
C2 C1 C13 O1 -174.0(6) . . . . ?
P1 C1 C13 O1 9.9(7) . . . . ?
C2 C1 C13 C5 5.2(9) . . . . ?
P1 C1 C13 C5 -170.9(5) . . . . ?
C12 O1 C13 C1 -154.1(5) . . . . ?
C12 O1 C13 C5 26.7(8) . . . . ?
C4 C5 C13 C1 -3.7(9) . . . . ?
C6 C5 C13 C1 180.0(6) . . . . ?
C4 C5 C13 O1 175.5(6) . . . . ?
C6 C5 C13 O1 -0.8(9) . . . . ?
Cl3 C17 Cl3 C17 53(4) 2_655 . . 2_655 ?



_database_code_depnum_ccdc_archive 'CCDC 980610'
