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


data_global
_journal_name_full               CrystEngComm
_journal_coden_cambridge         1350
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Takumi Konno'
_publ_contact_author_email       konno@chem.sci.osaka-u.ac.jp
loop_
_publ_author_name
'Takumi Konno'
'Raeeun Lee'
'Asako Igashira-Kamiyama'
'Hiroki Motoyoshi'

#===END

data_[2](ClO4)2
_database_code_depnum_ccdc_archive 'CCDC 823780'
#TrackingRef '- konno_revised.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H89.33 Au4 Cl2 Co2 N4 O20.67 P4 S4'
_chemical_formula_weight         2570.22

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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
S S 0.1246 0.1234 '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           Cubic
_symmetry_space_group_name_H-M   F23

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

_cell_length_a                   38.4167(8)
_cell_length_b                   38.4167(8)
_cell_length_c                   38.4167(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     56697(2)
_cell_formula_units_Z            24
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    86974
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.4

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             29824
_exptl_absorpt_coefficient_mu    6.806
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4284
_exptl_absorpt_correction_T_max  0.5493
_exptl_absorpt_process_details   
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.00
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            138137
_diffrn_reflns_av_R_equivalents  0.1265
_diffrn_reflns_av_sigmaI/netI    0.0596
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         3.00
_diffrn_reflns_theta_max         27.43
_reflns_number_total             10786
_reflns_number_gt                9011
_reflns_threshold_expression     >2sigma(I)
_chemical_absolute_configuration rm

_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  
;Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)
;

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
DFIX restrains were used to model perchlorate anions. Anisotropically
refined perchlorate anions containing Cl2 and Cl3 atoms were modeled
using SIMU restraints, and disordered isotropically refined perchlorate
anions containing Cl1 and Cl4 were modeled using EADP restraints.
SIMU restraints were used to model one phenyl ring containing C25 atom.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.006(8)
_refine_ls_number_reflns         10786
_refine_ls_number_parameters     523
_refine_ls_number_restraints     99
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0537
_refine_ls_wR_factor_ref         0.1441
_refine_ls_wR_factor_gt          0.1341
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_restrained_S_all      0.980
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.513233(10) 0.171520(10) 0.254149(11) 0.03780(11) Uani 1 1 d . . .
Au2 Au 0.476424(11) 0.220733(11) 0.180995(11) 0.04127(12) Uani 1 1 d . . .
Co1 Co 0.49168(4) 0.12775(4) 0.17603(3) 0.0369(3) Uani 1 1 d . . .
S1 S 0.46743(6) 0.14188(7) 0.22843(6) 0.0356(5) Uani 1 1 d . . .
S2 S 0.51894(7) 0.17999(7) 0.16744(7) 0.0424(6) Uani 1 1 d . . .
P1 P 0.55985(7) 0.19921(7) 0.27762(8) 0.0387(6) Uani 1 1 d . . .
P2 P 0.43383(7) 0.25964(7) 0.19319(7) 0.0404(6) Uani 1 1 d . . .
O1 O 0.53204(18) 0.10928(19) 0.19824(19) 0.0409(16) Uani 1 1 d . . .
O2 O 0.5472(2) 0.0687(2) 0.2362(2) 0.0500(19) Uani 1 1 d . . .
O3 O 0.45163(19) 0.1443(2) 0.15113(19) 0.0452(18) Uani 1 1 d . . .
O4 O 0.4373(2) 0.1666(3) 0.0998(2) 0.066(3) Uani 1 1 d . . .
N1 N 0.4730(2) 0.0811(2) 0.1847(2) 0.044(2) Uani 1 1 d . . .
H1 H 0.4491 0.0809 0.1842 0.053 Uiso 1 1 calc R . .
H2 H 0.4814 0.0652 0.1689 0.053 Uiso 1 1 calc R . .
N2 N 0.5077(3) 0.1157(3) 0.1297(3) 0.054(2) Uani 1 1 d . . .
H3 H 0.5314 0.1124 0.1292 0.065 Uiso 1 1 calc R . .
H4 H 0.4968 0.0959 0.1216 0.065 Uiso 1 1 calc R . .
C1 C 0.4682(3) 0.0966(3) 0.2469(3) 0.040(2) Uani 1 1 d . . .
C2 C 0.4866(3) 0.0741(3) 0.2207(3) 0.039(2) Uani 1 1 d . . .
H5 H 0.4834 0.0490 0.2267 0.047 Uiso 1 1 calc R . .
C3 C 0.5250(3) 0.0827(3) 0.2189(3) 0.041(2) Uani 1 1 d . . .
C4 C 0.4853(3) 0.0962(3) 0.2828(3) 0.046(3) Uani 1 1 d . . .
H6 H 0.4849 0.1198 0.2926 0.056 Uiso 1 1 calc R . .
H7 H 0.5095 0.0884 0.2806 0.056 Uiso 1 1 calc R . .
H8 H 0.4726 0.0803 0.2981 0.056 Uiso 1 1 calc R . .
C5 C 0.4301(3) 0.0850(3) 0.2529(3) 0.048(3) Uani 1 1 d . . .
H9 H 0.4147 0.1053 0.2510 0.057 Uiso 1 1 calc R . .
H10 H 0.4279 0.0748 0.2761 0.057 Uiso 1 1 calc R . .
H11 H 0.4236 0.0677 0.2353 0.057 Uiso 1 1 calc R . .
C6 C 0.5187(3) 0.1775(4) 0.1181(3) 0.054(3) Uani 1 1 d . . .
C7 C 0.4971(3) 0.1473(3) 0.1089(3) 0.051(3) Uani 1 1 d . . .
H12 H 0.4987 0.1424 0.0834 0.061 Uiso 1 1 calc R . .
C8 C 0.4593(3) 0.1536(3) 0.1196(3) 0.051(3) Uani 1 1 d . . .
C9 C 0.5068(4) 0.2121(4) 0.1009(4) 0.066(4) Uani 1 1 d . . .
H13 H 0.5094 0.2312 0.1176 0.079 Uiso 1 1 calc R . .
H14 H 0.4824 0.2101 0.0938 0.079 Uiso 1 1 calc R . .
H15 H 0.5213 0.2168 0.0804 0.079 Uiso 1 1 calc R . .
C10 C 0.5566(3) 0.1719(4) 0.1076(4) 0.070(4) Uani 1 1 d . . .
H16 H 0.5680 0.1945 0.1044 0.084 Uiso 1 1 calc R . .
H17 H 0.5576 0.1587 0.0858 0.084 Uiso 1 1 calc R . .
H18 H 0.5687 0.1589 0.1260 0.084 Uiso 1 1 calc R . .
C11 C 0.5605(3) 0.2458(3) 0.2698(2) 0.041(2) Uani 1 1 d . . .
H19 H 0.5398 0.2566 0.2808 0.049 Uiso 1 1 calc R . .
H20 H 0.5815 0.2560 0.2807 0.049 Uiso 1 1 calc R . .
C12 C 0.5644(3) 0.1945(3) 0.3241(3) 0.047(3) Uani 1 1 d . . .
C13 C 0.5715(4) 0.2202(4) 0.3461(3) 0.061(3) Uani 1 1 d . . .
H21 H 0.5737 0.2434 0.3378 0.073 Uiso 1 1 calc R . .
C14 C 0.5760(4) 0.2126(5) 0.3826(3) 0.073(4) Uani 1 1 d . . .
H22 H 0.5814 0.2311 0.3981 0.088 Uiso 1 1 calc R . .
C15 C 0.5729(5) 0.1819(4) 0.3946(4) 0.077(4) Uani 1 1 d U . .
H23 H 0.5763 0.1773 0.4187 0.092 Uiso 1 1 calc R . .
C16 C 0.5646(6) 0.1562(6) 0.3727(5) 0.105(6) Uani 1 1 d U . .
H24 H 0.5624 0.1333 0.3817 0.126 Uiso 1 1 calc R . .
C17 C 0.5593(6) 0.1610(4) 0.3387(4) 0.093(6) Uani 1 1 d . . .
H25 H 0.5521 0.1422 0.3245 0.112 Uiso 1 1 calc R . .
C18 C 0.6003(3) 0.1828(3) 0.2582(3) 0.043(2) Uani 1 1 d . . .
C19 C 0.6331(3) 0.1955(4) 0.2707(4) 0.066(4) Uani 1 1 d . . .
H26 H 0.6339 0.2125 0.2887 0.080 Uiso 1 1 calc R . .
C20 C 0.6623(4) 0.1834(4) 0.2569(4) 0.066(4) Uani 1 1 d . . .
H27 H 0.6841 0.1902 0.2663 0.079 Uiso 1 1 calc R . .
C21 C 0.6610(4) 0.1602(3) 0.2282(4) 0.065(4) Uani 1 1 d . . .
H28 H 0.6821 0.1530 0.2176 0.079 Uiso 1 1 calc R . .
C22 C 0.6312(4) 0.1483(4) 0.2160(4) 0.064(4) Uani 1 1 d . . .
H29 H 0.6312 0.1319 0.1975 0.077 Uiso 1 1 calc R . .
C23 C 0.5992(3) 0.1598(3) 0.2302(3) 0.051(3) Uani 1 1 d . . .
H30 H 0.5776 0.1520 0.2210 0.061 Uiso 1 1 calc R . .
C24 C 0.4302(3) 0.2675(3) 0.2396(3) 0.051(3) Uani 1 1 d . . .
H31 H 0.4500 0.2821 0.2474 0.061 Uiso 1 1 calc R . .
H32 H 0.4084 0.2804 0.2445 0.061 Uiso 1 1 calc R . .
C25 C 0.4383(3) 0.3025(3) 0.1728(3) 0.047(3) Uani 1 1 d U . .
C26 C 0.4168(4) 0.3292(3) 0.1821(4) 0.068(4) Uani 1 1 d U . .
H33 H 0.4017 0.3269 0.2016 0.082 Uiso 1 1 calc R . .
C27 C 0.4171(5) 0.3607(4) 0.1622(5) 0.075(5) Uani 1 1 d U . .
H34 H 0.4005 0.3784 0.1665 0.090 Uiso 1 1 calc R . .
C28 C 0.4419(7) 0.3647(5) 0.1367(6) 0.110(7) Uani 1 1 d U . .
H35 H 0.4442 0.3862 0.1247 0.132 Uiso 1 1 calc R . .
C29 C 0.4625(6) 0.3383(6) 0.1293(7) 0.121(8) Uani 1 1 d U . .
H36 H 0.4782 0.3412 0.1104 0.145 Uiso 1 1 calc R . .
C30 C 0.4633(5) 0.3063(5) 0.1469(5) 0.083(5) Uani 1 1 d U . .
H37 H 0.4797 0.2886 0.1416 0.099 Uiso 1 1 calc R . .
C31 C 0.3925(3) 0.2447(3) 0.1778(3) 0.050(3) Uani 1 1 d . . .
C32 C 0.3614(4) 0.2602(4) 0.1905(5) 0.072(4) Uani 1 1 d . . .
H38 H 0.3624 0.2779 0.2078 0.086 Uiso 1 1 calc R . .
C33 C 0.3291(4) 0.2492(4) 0.1772(6) 0.086(5) Uani 1 1 d . . .
H39 H 0.3080 0.2577 0.1868 0.104 Uiso 1 1 calc R . .
C34 C 0.3286(4) 0.2257(5) 0.1500(5) 0.082(5) Uani 1 1 d . . .
H40 H 0.3071 0.2208 0.1387 0.098 Uiso 1 1 calc R . .
C35 C 0.3599(4) 0.2084(4) 0.1383(4) 0.076(5) Uani 1 1 d . . .
H41 H 0.3591 0.1909 0.1208 0.092 Uiso 1 1 calc R . .
C36 C 0.3907(3) 0.2179(4) 0.1532(3) 0.055(3) Uani 1 1 d . . .
H42 H 0.4115 0.2061 0.1467 0.066 Uiso 1 1 calc R . .
Cl1 Cl 0.2404(5) 0.2404(5) 0.2404(5) 0.122(9) Uiso 0.25 3 d SPD . .
Cl2 Cl 0.57010(17) 0.07010(17) 0.07010(17) 0.102(3) Uani 1 3 d SDU . .
Cl3 Cl 0.5000 0.1447(3) 0.0000 0.123(3) Uani 1 2 d SDU . .
Cl4 Cl 0.7475(19) 0.2459(18) 0.2490(18) 0.055(11) Uiso 0.083 1 d PD A -1
O5 O 0.2643(6) 0.2357(6) 0.2643(6) 0.122(9) Uiso 0.25 3 d SPD . .
O6 O 0.2500 0.2500 0.2060(7) 0.122(9) Uiso 0.50 2 d SPD . .
O7 O 0.5921(3) 0.0921(3) 0.0921(3) 0.222(16) Uani 1 3 d SDU . .
O8 O 0.5538(5) 0.0475(5) 0.0928(4) 0.201(10) Uani 1 1 d DU . .
O9 O 0.5224(4) 0.1647(5) 0.0207(4) 0.234(11) Uani 1 1 d DU . .
O10 O 0.4788(4) 0.1230(4) 0.0219(3) 0.205(11) Uani 1 1 d DU . .
O11 O 0.7116(17) 0.241(3) 0.245(3) 0.056(15) Uiso 0.08333 1 d PD A -1
O12 O 0.755(3) 0.249(3) 0.2847(19) 0.056(15) Uiso 0.08333 1 d PD A -1
O13 O 0.766(3) 0.2174(18) 0.235(3) 0.056(15) Uiso 0.08333 1 d PD A -1
O14 O 0.758(2) 0.2763(19) 0.231(3) 0.056(15) Uiso 0.08333 1 d PD A -1
O15 O 0.3813(5) 0.1187(5) 0.1187(5) 0.128(9) Uani 1 3 d S . .
O16 O 0.5066(3) 0.2755(3) 0.0364(3) 0.088(3) Uani 1 1 d . . .
O17 O 0.5121(7) 0.3466(7) 0.0387(7) 0.096(7) Uiso 0.50 1 d P B 1
O18 O 0.5603(11) 0.3774(11) 0.0230(11) 0.163(14) Uiso 0.50 1 d P C 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.0377(2) 0.0377(2) 0.0380(2) -0.00257(16) -0.00310(16) -0.00265(16)
Au2 0.0386(2) 0.0460(2) 0.0392(2) 0.00503(17) -0.00149(16) -0.00372(17)
Co1 0.0332(7) 0.0430(8) 0.0346(7) 0.0010(6) -0.0028(5) -0.0006(6)
S1 0.0277(11) 0.0387(13) 0.0403(13) -0.0030(10) -0.0039(10) -0.0019(9)
S2 0.0382(13) 0.0494(15) 0.0395(13) 0.0064(11) -0.0001(10) -0.0019(11)
P1 0.0382(14) 0.0372(14) 0.0408(14) -0.0054(11) -0.0058(11) -0.0058(11)
P2 0.0381(14) 0.0425(15) 0.0407(14) 0.0057(11) -0.0034(11) -0.0024(11)
O1 0.034(4) 0.044(4) 0.045(4) -0.001(3) 0.003(3) 0.002(3)
O2 0.043(4) 0.056(5) 0.051(4) 0.011(4) -0.008(3) 0.005(4)
O3 0.037(4) 0.059(5) 0.039(4) 0.001(3) 0.000(3) 0.001(3)
O4 0.056(5) 0.102(8) 0.040(4) 0.020(5) -0.011(4) 0.005(5)
N1 0.039(5) 0.043(5) 0.049(5) -0.009(4) -0.009(4) 0.004(4)
N2 0.058(6) 0.059(6) 0.046(5) -0.009(5) -0.015(5) 0.002(5)
C1 0.041(5) 0.042(5) 0.037(5) 0.008(4) -0.005(4) -0.005(4)
C2 0.034(5) 0.040(5) 0.044(6) 0.000(4) -0.007(4) 0.003(4)
C3 0.038(5) 0.045(6) 0.038(5) 0.002(5) 0.000(4) 0.005(4)
C4 0.047(6) 0.045(6) 0.047(6) -0.003(5) -0.003(5) -0.005(5)
C5 0.041(6) 0.053(6) 0.049(6) 0.003(5) 0.002(5) -0.010(5)
C6 0.042(6) 0.068(8) 0.050(7) 0.017(6) 0.009(5) -0.002(6)
C7 0.061(7) 0.059(7) 0.032(5) -0.003(5) -0.006(5) -0.007(6)
C8 0.063(7) 0.058(7) 0.032(5) 0.007(5) -0.015(5) -0.006(6)
C9 0.050(7) 0.083(10) 0.065(8) 0.019(7) 0.009(6) 0.007(7)
C10 0.036(7) 0.094(11) 0.079(9) 0.009(8) 0.011(6) 0.007(7)
C11 0.055(6) 0.034(5) 0.033(5) -0.009(4) 0.005(4) -0.003(5)
C12 0.048(6) 0.047(6) 0.047(6) 0.000(5) -0.003(5) -0.004(5)
C13 0.083(10) 0.050(7) 0.050(7) 0.000(6) -0.007(6) 0.001(7)
C14 0.083(10) 0.101(12) 0.035(6) -0.018(7) 0.002(6) 0.010(9)
C15 0.103(11) 0.087(10) 0.039(7) 0.017(7) -0.009(7) -0.007(9)
C16 0.146(15) 0.103(12) 0.066(10) 0.024(9) -0.017(10) -0.020(11)
C17 0.166(19) 0.050(8) 0.063(10) -0.003(7) -0.012(11) -0.017(10)
C18 0.045(6) 0.041(6) 0.044(6) 0.007(4) -0.006(5) -0.008(5)
C19 0.043(7) 0.083(10) 0.073(9) -0.015(7) -0.010(6) 0.016(6)
C20 0.051(7) 0.081(10) 0.066(9) -0.009(7) -0.002(6) -0.001(7)
C21 0.056(8) 0.052(8) 0.088(11) 0.015(7) 0.015(7) 0.007(6)
C22 0.067(9) 0.055(8) 0.071(9) -0.004(7) 0.018(7) -0.001(7)
C23 0.043(6) 0.054(7) 0.055(7) -0.007(5) 0.005(5) -0.002(5)
C24 0.055(7) 0.039(6) 0.058(7) 0.003(5) 0.011(6) 0.002(5)
C25 0.045(6) 0.047(6) 0.048(6) -0.007(5) -0.010(5) -0.013(5)
C26 0.085(10) 0.048(7) 0.073(9) 0.013(6) -0.035(8) -0.015(7)
C27 0.085(10) 0.052(8) 0.089(11) 0.023(7) -0.042(9) -0.012(7)
C28 0.138(17) 0.078(12) 0.115(15) 0.050(11) -0.048(13) -0.042(12)
C29 0.104(14) 0.103(14) 0.155(18) 0.076(14) 0.024(13) -0.030(12)
C30 0.079(10) 0.088(11) 0.080(10) 0.025(9) 0.009(8) -0.011(9)
C31 0.046(6) 0.050(7) 0.055(7) 0.011(5) -0.009(5) -0.007(5)
C32 0.052(8) 0.063(9) 0.100(12) -0.004(8) -0.016(8) -0.001(6)
C33 0.040(7) 0.059(8) 0.160(17) 0.014(11) -0.016(9) -0.006(7)
C34 0.055(9) 0.087(12) 0.103(13) 0.039(10) -0.030(9) -0.016(8)
C35 0.094(12) 0.086(10) 0.048(7) 0.016(7) -0.029(7) -0.045(9)
C36 0.050(7) 0.072(8) 0.045(6) -0.008(6) -0.002(5) -0.009(6)
Cl2 0.102(3) 0.102(3) 0.102(3) 0.022(3) 0.022(3) 0.022(3)
Cl3 0.103(5) 0.188(9) 0.078(4) 0.000 0.014(4) 0.000
O7 0.222(16) 0.222(16) 0.222(16) -0.037(16) -0.037(16) -0.037(16)
O8 0.134(15) 0.193(19) 0.28(2) 0.113(18) 0.034(16) -0.035(13)
O9 0.164(17) 0.38(3) 0.154(17) -0.094(19) -0.076(14) -0.06(2)
O10 0.27(2) 0.25(2) 0.093(11) -0.029(13) 0.053(13) -0.159(19)
O15 0.128(9) 0.128(9) 0.128(9) 0.014(11) -0.014(11) -0.014(11)
O16 0.070(7) 0.113(9) 0.081(7) 0.005(7) -0.010(6) 0.015(6)

_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 2.270(3) . ?
Au1 S1 2.317(2) . ?
Au2 P2 2.265(3) . ?
Au2 S2 2.321(3) . ?
Co1 O1 1.907(7) . ?
Co1 O3 1.920(8) . ?
Co1 N2 1.940(10) . ?
Co1 N1 1.960(9) . ?
Co1 S1 2.284(3) . ?
Co1 S2 2.288(3) . ?
S1 C1 1.881(10) . ?
S2 C6 1.899(12) . ?
P1 C12 1.803(12) . ?
P1 C11 1.814(11) . ?
P1 C18 1.835(12) . ?
P2 C31 1.790(12) . ?
P2 C24 1.814(12) . ?
P2 C25 1.833(12) . ?
O1 C3 1.321(13) . ?
O2 C3 1.210(13) . ?
O3 C8 1.298(13) . ?
O4 C8 1.241(14) . ?
N1 C2 1.502(13) . ?
N1 H1 0.9200 . ?
N1 H2 0.9200 . ?
N2 C7 1.509(16) . ?
N2 H3 0.9200 . ?
N2 H4 0.9200 . ?
C1 C2 1.503(16) . ?
C1 C4 1.527(15) . ?
C1 C5 1.546(14) . ?
C2 C3 1.512(15) . ?
C2 H5 1.0000 . ?
C4 H6 0.9800 . ?
C4 H7 0.9800 . ?
C4 H8 0.9800 . ?
C5 H9 0.9800 . ?
C5 H10 0.9800 . ?
C5 H11 0.9800 . ?
C6 C7 1.467(18) . ?
C6 C10 1.529(16) . ?
C6 C9 1.551(19) . ?
C7 C8 1.529(18) . ?
C7 H12 1.0000 . ?
C9 H13 0.9800 . ?
C9 H14 0.9800 . ?
C9 H15 0.9800 . ?
C10 H16 0.9800 . ?
C10 H17 0.9800 . ?
C10 H18 0.9800 . ?
C11 C11 1.555(19) 15 ?
C11 H19 0.9900 . ?
C11 H20 0.9900 . ?
C12 C13 1.328(17) . ?
C12 C17 1.416(19) . ?
C13 C14 1.442(18) . ?
C13 H21 0.9500 . ?
C14 C15 1.27(2) . ?
C14 H22 0.9500 . ?
C15 C16 1.34(2) . ?
C15 H23 0.9500 . ?
C16 C17 1.33(2) . ?
C16 H24 0.9500 . ?
C17 H25 0.9500 . ?
C18 C23 1.391(16) . ?
C18 C19 1.436(17) . ?
C19 C20 1.324(18) . ?
C19 H26 0.9500 . ?
C20 C21 1.42(2) . ?
C20 H27 0.9500 . ?
C21 C22 1.32(2) . ?
C21 H28 0.9500 . ?
C22 C23 1.417(18) . ?
C22 H29 0.9500 . ?
C23 H30 0.9500 . ?
C24 C24 1.56(2) 15 ?
C24 H31 0.9900 . ?
C24 H32 0.9900 . ?
C25 C26 1.36(2) . ?
C25 C30 1.39(2) . ?
C26 C27 1.431(19) . ?
C26 H33 0.9500 . ?
C27 C28 1.38(3) . ?
C27 H34 0.9500 . ?
C28 C29 1.32(3) . ?
C28 H35 0.9500 . ?
C29 C30 1.40(2) . ?
C29 H36 0.9500 . ?
C30 H37 0.9500 . ?
C31 C36 1.400(18) . ?
C31 C32 1.420(19) . ?
C32 C33 1.41(2) . ?
C32 H38 0.9500 . ?
C33 C34 1.38(3) . ?
C33 H39 0.9500 . ?
C34 C35 1.45(3) . ?
C34 H40 0.9500 . ?
C35 C36 1.365(18) . ?
C35 H41 0.9500 . ?
C36 H42 0.9500 . ?
Cl1 O5 0.31(7) 28 ?
Cl1 Cl1 1.05(6) 38 ?
Cl1 Cl1 1.05(6) 28 ?
Cl1 Cl1 1.05(6) 15 ?
Cl1 O5 1.31(2) 15 ?
Cl1 O5 1.31(2) 38 ?
Cl1 O5 1.32(2) . ?
Cl1 O6 1.42(2) . ?
Cl1 O6 1.42(2) 6 ?
Cl1 O6 1.42(2) 5 ?
Cl1 O6 2.13(5) 15 ?
Cl1 O6 2.13(5) 43 ?
Cl2 O8 1.379(6) 41_545 ?
Cl2 O8 1.379(6) 30_554 ?
Cl2 O8 1.379(6) . ?
Cl2 O7 1.461(16) . ?
Cl3 O9 1.403(9) . ?
Cl3 O9 1.403(9) 4_655 ?
Cl3 O10 1.435(9) 4_655 ?
Cl3 O10 1.435(9) . ?
Cl4 O13 1.405(18) . ?
Cl4 O11 1.405(18) . ?
Cl4 O12 1.405(18) . ?
Cl4 O14 1.406(18) . ?
O5 Cl1 0.31(7) 28 ?
O5 Cl1 1.31(2) 15 ?
O5 Cl1 1.32(2) 38 ?
O5 O6 1.38(2) 15 ?
O5 O6 1.38(2) 6 ?
O5 O6 1.38(2) 43 ?
O5 O5 1.56(6) 38 ?
O5 O5 1.56(6) 15 ?
O5 O5 1.56(6) 28 ?
O6 O5 1.38(2) 15 ?
O6 O5 1.38(2) 28 ?
O6 Cl1 1.42(2) 38 ?
O6 Cl1 2.13(5) 28 ?
O6 Cl1 2.13(5) 15 ?

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 S1 177.30(10) . . ?
P2 Au2 S2 178.31(10) . . ?
O1 Co1 O3 176.2(3) . . ?
O1 Co1 N2 93.7(4) . . ?
O3 Co1 N2 82.9(4) . . ?
O1 Co1 N1 83.1(3) . . ?
O3 Co1 N1 95.5(4) . . ?
N2 Co1 N1 93.1(4) . . ?
O1 Co1 S1 91.5(2) . . ?
O3 Co1 S1 91.9(2) . . ?
N2 Co1 S1 174.4(3) . . ?
N1 Co1 S1 85.3(3) . . ?
O1 Co1 S2 91.1(2) . . ?
O3 Co1 S2 90.2(3) . . ?
N2 Co1 S2 86.1(3) . . ?
N1 Co1 S2 174.1(3) . . ?
S1 Co1 S2 96.06(11) . . ?
C1 S1 Co1 96.1(4) . . ?
C1 S1 Au1 106.4(3) . . ?
Co1 S1 Au1 100.53(10) . . ?
C6 S2 Co1 95.6(4) . . ?
C6 S2 Au2 104.7(4) . . ?
Co1 S2 Au2 103.71(11) . . ?
C12 P1 C11 105.2(5) . . ?
C12 P1 C18 106.7(5) . . ?
C11 P1 C18 105.0(5) . . ?
C12 P1 Au1 115.0(4) . . ?
C11 P1 Au1 114.0(4) . . ?
C18 P1 Au1 110.2(4) . . ?
C31 P2 C24 108.1(6) . . ?
C31 P2 C25 103.3(5) . . ?
C24 P2 C25 106.1(5) . . ?
C31 P2 Au2 111.2(4) . . ?
C24 P2 Au2 111.6(4) . . ?
C25 P2 Au2 115.9(4) . . ?
C3 O1 Co1 112.9(6) . . ?
C8 O3 Co1 111.9(7) . . ?
C2 N1 Co1 101.1(6) . . ?
C2 N1 H1 111.5 . . ?
Co1 N1 H1 111.5 . . ?
C2 N1 H2 111.5 . . ?
Co1 N1 H2 111.5 . . ?
H1 N1 H2 109.4 . . ?
C7 N2 Co1 102.1(7) . . ?
C7 N2 H3 111.4 . . ?
Co1 N2 H3 111.4 . . ?
C7 N2 H4 111.4 . . ?
Co1 N2 H4 111.4 . . ?
H3 N2 H4 109.2 . . ?
C2 C1 C4 113.4(8) . . ?
C2 C1 C5 112.4(9) . . ?
C4 C1 C5 105.8(9) . . ?
C2 C1 S1 106.6(7) . . ?
C4 C1 S1 110.8(7) . . ?
C5 C1 S1 107.8(7) . . ?
N1 C2 C1 110.5(8) . . ?
N1 C2 C3 104.9(9) . . ?
C1 C2 C3 111.4(9) . . ?
N1 C2 H5 110.0 . . ?
C1 C2 H5 110.0 . . ?
C3 C2 H5 110.0 . . ?
O2 C3 O1 122.0(10) . . ?
O2 C3 C2 124.4(10) . . ?
O1 C3 C2 113.4(9) . . ?
C1 C4 H6 109.5 . . ?
C1 C4 H7 109.5 . . ?
H6 C4 H7 109.5 . . ?
C1 C4 H8 109.5 . . ?
H6 C4 H8 109.5 . . ?
H7 C4 H8 109.5 . . ?
C1 C5 H9 109.5 . . ?
C1 C5 H10 109.5 . . ?
H9 C5 H10 109.5 . . ?
C1 C5 H11 109.5 . . ?
H9 C5 H11 109.5 . . ?
H10 C5 H11 109.5 . . ?
C7 C6 C10 111.3(12) . . ?
C7 C6 C9 114.2(11) . . ?
C10 C6 C9 106.8(10) . . ?
C7 C6 S2 106.5(8) . . ?
C10 C6 S2 105.3(9) . . ?
C9 C6 S2 112.5(10) . . ?
C6 C7 N2 111.0(10) . . ?
C6 C7 C8 110.2(11) . . ?
N2 C7 C8 103.9(10) . . ?
C6 C7 H12 110.5 . . ?
N2 C7 H12 110.5 . . ?
C8 C7 H12 110.5 . . ?
O4 C8 O3 121.7(12) . . ?
O4 C8 C7 123.2(10) . . ?
O3 C8 C7 115.1(10) . . ?
C6 C9 H13 109.5 . . ?
C6 C9 H14 109.5 . . ?
H13 C9 H14 109.5 . . ?
C6 C9 H15 109.5 . . ?
H13 C9 H15 109.5 . . ?
H14 C9 H15 109.5 . . ?
C6 C10 H16 109.5 . . ?
C6 C10 H17 109.5 . . ?
H16 C10 H17 109.5 . . ?
C6 C10 H18 109.5 . . ?
H16 C10 H18 109.5 . . ?
H17 C10 H18 109.5 . . ?
C11 C11 P1 111.6(9) 15 . ?
C11 C11 H19 109.3 15 . ?
P1 C11 H19 109.3 . . ?
C11 C11 H20 109.3 15 . ?
P1 C11 H20 109.3 . . ?
H19 C11 H20 108.0 . . ?
C13 C12 C17 116.8(12) . . ?
C13 C12 P1 125.0(10) . . ?
C17 C12 P1 118.2(10) . . ?
C12 C13 C14 119.5(13) . . ?
C12 C13 H21 120.3 . . ?
C14 C13 H21 120.3 . . ?
C15 C14 C13 122.0(15) . . ?
C15 C14 H22 119.0 . . ?
C13 C14 H22 119.0 . . ?
C14 C15 C16 118.5(15) . . ?
C14 C15 H23 120.8 . . ?
C16 C15 H23 120.8 . . ?
C17 C16 C15 123.4(18) . . ?
C17 C16 H24 118.3 . . ?
C15 C16 H24 118.3 . . ?
C16 C17 C12 119.6(16) . . ?
C16 C17 H25 120.2 . . ?
C12 C17 H25 120.2 . . ?
C23 C18 C19 120.0(11) . . ?
C23 C18 P1 120.5(8) . . ?
C19 C18 P1 119.4(9) . . ?
C20 C19 C18 119.4(13) . . ?
C20 C19 H26 120.3 . . ?
C18 C19 H26 120.3 . . ?
C19 C20 C21 120.1(13) . . ?
C19 C20 H27 119.9 . . ?
C21 C20 H27 119.9 . . ?
C22 C21 C20 121.6(14) . . ?
C22 C21 H28 119.2 . . ?
C20 C21 H28 119.2 . . ?
C21 C22 C23 120.5(14) . . ?
C21 C22 H29 119.7 . . ?
C23 C22 H29 119.7 . . ?
C18 C23 C22 118.1(12) . . ?
C18 C23 H30 121.0 . . ?
C22 C23 H30 121.0 . . ?
C24 C24 P2 111.0(11) 15 . ?
C24 C24 H31 109.4 15 . ?
P2 C24 H31 109.4 . . ?
C24 C24 H32 109.4 15 . ?
P2 C24 H32 109.4 . . ?
H31 C24 H32 108.0 . . ?
C26 C25 C30 121.9(13) . . ?
C26 C25 P2 120.3(10) . . ?
C30 C25 P2 117.7(11) . . ?
C25 C26 C27 119.3(16) . . ?
C25 C26 H33 120.4 . . ?
C27 C26 H33 120.4 . . ?
C28 C27 C26 118.8(17) . . ?
C28 C27 H34 120.6 . . ?
C26 C27 H34 120.6 . . ?
C29 C28 C27 118.8(17) . . ?
C29 C28 H35 120.6 . . ?
C27 C28 H35 120.6 . . ?
C28 C29 C30 126(2) . . ?
C28 C29 H36 117.2 . . ?
C30 C29 H36 117.2 . . ?
C25 C30 C29 115.0(18) . . ?
C25 C30 H37 122.5 . . ?
C29 C30 H37 122.5 . . ?
C36 C31 C32 120.1(11) . . ?
C36 C31 P2 120.0(10) . . ?
C32 C31 P2 119.9(10) . . ?
C33 C32 C31 119.2(15) . . ?
C33 C32 H38 120.4 . . ?
C31 C32 H38 120.4 . . ?
C34 C33 C32 119.1(16) . . ?
C34 C33 H39 120.4 . . ?
C32 C33 H39 120.4 . . ?
C33 C34 C35 121.5(13) . . ?
C33 C34 H40 119.2 . . ?
C35 C34 H40 119.2 . . ?
C36 C35 C34 117.9(15) . . ?
C36 C35 H41 121.0 . . ?
C34 C35 H41 121.0 . . ?
C35 C36 C31 121.4(14) . . ?
C35 C36 H42 119.3 . . ?
C31 C36 H42 119.3 . . ?
O5 Cl1 O5 136.9(15) 28 15 ?
O5 Cl1 O5 136.9(16) 28 38 ?
O5 Cl1 O5 136.9(16) 28 . ?
O5 Cl1 O6 120.3(13) 38 . ?
O5 Cl1 O6 120.3(13) . . ?
O5 Cl1 O6 120.3(13) 15 6 ?
O5 Cl1 O6 120.3(13) 38 6 ?
O6 Cl1 O6 114.6(9) . 6 ?
O5 Cl1 O6 120.3(13) 15 5 ?
O5 Cl1 O6 120.3(13) . 5 ?
O6 Cl1 O6 114.6(9) . 5 ?
O6 Cl1 O6 114.6(9) 6 5 ?
O5 Cl1 O6 139.5(5) 28 15 ?
O6 Cl1 O6 144.1(18) . 15 ?
O5 Cl1 O6 139.5(5) 28 43 ?
O6 Cl1 O6 144.1(18) 5 43 ?
O8 Cl2 O8 113.5(6) 41_545 30_554 ?
O8 Cl2 O8 113.5(6) 41_545 . ?
O8 Cl2 O8 113.5(6) 30_554 . ?
O8 Cl2 O7 105.1(8) 41_545 . ?
O8 Cl2 O7 105.1(8) 30_554 . ?
O8 Cl2 O7 105.1(8) . . ?
O9 Cl3 O9 113.6(15) . 4_655 ?
O9 Cl3 O10 107.6(7) . 4_655 ?
O9 Cl3 O10 109.4(7) 4_655 4_655 ?
O9 Cl3 O10 109.4(7) . . ?
O9 Cl3 O10 107.6(7) 4_655 . ?
O10 Cl3 O10 109.3(13) 4_655 . ?
O13 Cl4 O11 109.8(18) . . ?
O13 Cl4 O12 109.6(18) . . ?
O11 Cl4 O12 109.4(18) . . ?
O13 Cl4 O14 109.1(18) . . ?
O11 Cl4 O14 109.2(18) . . ?
O12 Cl4 O14 109.7(18) . . ?

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
O1 Co1 S1 C1 -57.8(4) . . . . ?
O3 Co1 S1 C1 120.5(4) . . . . ?
N1 Co1 S1 C1 25.1(4) . . . . ?
S2 Co1 S1 C1 -149.1(3) . . . . ?
O1 Co1 S1 Au1 50.1(2) . . . . ?
O3 Co1 S1 Au1 -131.5(3) . . . . ?
N1 Co1 S1 Au1 133.1(3) . . . . ?
S2 Co1 S1 Au1 -41.11(11) . . . . ?
O1 Co1 S2 C6 115.7(5) . . . . ?
O3 Co1 S2 C6 -60.8(5) . . . . ?
N2 Co1 S2 C6 22.0(5) . . . . ?
S1 Co1 S2 C6 -152.7(4) . . . . ?
O1 Co1 S2 Au2 -137.7(2) . . . . ?
O3 Co1 S2 Au2 45.9(2) . . . . ?
N2 Co1 S2 Au2 128.7(3) . . . . ?
S1 Co1 S2 Au2 -46.09(12) . . . . ?
N2 Co1 O1 C3 -116.3(8) . . . . ?
N1 Co1 O1 C3 -23.6(7) . . . . ?
S1 Co1 O1 C3 61.5(7) . . . . ?
S2 Co1 O1 C3 157.6(7) . . . . ?
N2 Co1 O3 C8 -27.3(8) . . . . ?
N1 Co1 O3 C8 -119.7(8) . . . . ?
S1 Co1 O3 C8 154.8(8) . . . . ?
S2 Co1 O3 C8 58.7(8) . . . . ?
O1 Co1 N1 C2 40.8(6) . . . . ?
O3 Co1 N1 C2 -142.8(6) . . . . ?
N2 Co1 N1 C2 134.1(7) . . . . ?
S1 Co1 N1 C2 -51.3(6) . . . . ?
O1 Co1 N2 C7 -139.4(7) . . . . ?
O3 Co1 N2 C7 42.2(7) . . . . ?
N1 Co1 N2 C7 137.3(7) . . . . ?
S2 Co1 N2 C7 -48.6(7) . . . . ?
Co1 S1 C1 C2 4.8(7) . . . . ?
Au1 S1 C1 C2 -98.1(6) . . . . ?
Co1 S1 C1 C4 128.6(7) . . . . ?
Au1 S1 C1 C4 25.7(8) . . . . ?
Co1 S1 C1 C5 -116.1(7) . . . . ?
Au1 S1 C1 C5 141.0(7) . . . . ?
Co1 N1 C2 C1 70.5(9) . . . . ?
Co1 N1 C2 C3 -49.6(8) . . . . ?
C4 C1 C2 N1 -168.6(8) . . . . ?
C5 C1 C2 N1 71.5(11) . . . . ?
S1 C1 C2 N1 -46.4(10) . . . . ?
C4 C1 C2 C3 -52.4(12) . . . . ?
C5 C1 C2 C3 -172.3(9) . . . . ?
S1 C1 C2 C3 69.8(9) . . . . ?
Co1 O1 C3 O2 -176.9(9) . . . . ?
Co1 O1 C3 C2 -1.7(11) . . . . ?
N1 C2 C3 O2 -149.4(11) . . . . ?
C1 C2 C3 O2 91.0(13) . . . . ?
N1 C2 C3 O1 35.6(12) . . . . ?
C1 C2 C3 O1 -84.0(11) . . . . ?
Co1 S2 C6 C7 8.4(9) . . . . ?
Au2 S2 C6 C7 -97.4(9) . . . . ?
Co1 S2 C6 C10 -109.9(9) . . . . ?
Au2 S2 C6 C10 144.4(9) . . . . ?
Co1 S2 C6 C9 134.2(8) . . . . ?
Au2 S2 C6 C9 28.5(9) . . . . ?
C10 C6 C7 N2 65.5(13) . . . . ?
C9 C6 C7 N2 -173.5(10) . . . . ?
S2 C6 C7 N2 -48.7(12) . . . . ?
C10 C6 C7 C8 -179.9(10) . . . . ?
C9 C6 C7 C8 -59.0(13) . . . . ?
S2 C6 C7 C8 65.8(11) . . . . ?
Co1 N2 C7 C6 70.4(11) . . . . ?
Co1 N2 C7 C8 -48.0(9) . . . . ?
Co1 O3 C8 O4 -176.5(10) . . . . ?
Co1 O3 C8 C7 3.5(13) . . . . ?
C6 C7 C8 O4 91.8(15) . . . . ?
N2 C7 C8 O4 -149.3(12) . . . . ?
C6 C7 C8 O3 -88.2(13) . . . . ?
N2 C7 C8 O3 30.7(14) . . . . ?
C12 P1 C11 C11 174.4(4) . . . 15 ?
C18 P1 C11 C11 62.0(4) . . . 15 ?
Au1 P1 C11 C11 -58.8(3) . . . 15 ?
C11 P1 C12 C13 -8.4(13) . . . . ?
C18 P1 C12 C13 102.8(13) . . . . ?
Au1 P1 C12 C13 -134.7(11) . . . . ?
C11 P1 C12 C17 170.2(13) . . . . ?
C18 P1 C12 C17 -78.6(14) . . . . ?
Au1 P1 C12 C17 43.9(14) . . . . ?
C17 C12 C13 C14 4(2) . . . . ?
P1 C12 C13 C14 -177.3(11) . . . . ?
C12 C13 C14 C15 -1(3) . . . . ?
C13 C14 C15 C16 -1(3) . . . . ?
C14 C15 C16 C17 0(3) . . . . ?
C15 C16 C17 C12 4(4) . . . . ?
C13 C12 C17 C16 -6(3) . . . . ?
P1 C12 C17 C16 175.7(18) . . . . ?
C12 P1 C18 C23 132.4(10) . . . . ?
C11 P1 C18 C23 -116.3(10) . . . . ?
Au1 P1 C18 C23 6.9(10) . . . . ?
C12 P1 C18 C19 -51.2(11) . . . . ?
C11 P1 C18 C19 60.2(11) . . . . ?
Au1 P1 C18 C19 -176.6(9) . . . . ?
C23 C18 C19 C20 -4(2) . . . . ?
P1 C18 C19 C20 179.2(12) . . . . ?
C18 C19 C20 C21 5(2) . . . . ?
C19 C20 C21 C22 -5(2) . . . . ?
C20 C21 C22 C23 3(2) . . . . ?
C19 C18 C23 C22 2.9(18) . . . . ?
P1 C18 C23 C22 179.3(10) . . . . ?
C21 C22 C23 C18 -2(2) . . . . ?
C31 P2 C24 C24 75.8(5) . . . 15 ?
C25 P2 C24 C24 -173.9(4) . . . 15 ?
Au2 P2 C24 C24 -46.8(4) . . . 15 ?
C31 P2 C25 C26 66.9(11) . . . . ?
C24 P2 C25 C26 -46.7(11) . . . . ?
Au2 P2 C25 C26 -171.1(9) . . . . ?
C31 P2 C25 C30 -110.6(12) . . . . ?
C24 P2 C25 C30 135.8(11) . . . . ?
Au2 P2 C25 C30 11.3(12) . . . . ?
C30 C25 C26 C27 7(2) . . . . ?
P2 C25 C26 C27 -170.3(10) . . . . ?
C25 C26 C27 C28 -7(2) . . . . ?
C26 C27 C28 C29 6(3) . . . . ?
C27 C28 C29 C30 -5(4) . . . . ?
C26 C25 C30 C29 -5(2) . . . . ?
P2 C25 C30 C29 172.2(15) . . . . ?
C28 C29 C30 C25 4(3) . . . . ?
C24 P2 C31 C36 -139.7(10) . . . . ?
C25 P2 C31 C36 108.2(11) . . . . ?
Au2 P2 C31 C36 -16.8(11) . . . . ?
C24 P2 C31 C32 40.5(12) . . . . ?
C25 P2 C31 C32 -71.6(12) . . . . ?
Au2 P2 C31 C32 163.4(10) . . . . ?
C36 C31 C32 C33 -2(2) . . . . ?
P2 C31 C32 C33 177.6(12) . . . . ?
C31 C32 C33 C34 -6(2) . . . . ?
C32 C33 C34 C35 9(3) . . . . ?
C33 C34 C35 C36 -5(2) . . . . ?
C34 C35 C36 C31 -3(2) . . . . ?
C32 C31 C36 C35 7(2) . . . . ?
P2 C31 C36 C35 -173.2(10) . . . . ?
O5 Cl1 O5 Cl1 -179.97(8) 28 . . 28 ?
Cl1 Cl1 O5 Cl1 33.1(4) 38 . . 28 ?
Cl1 Cl1 O5 Cl1 -33.0(4) 15 . . 28 ?
O5 Cl1 O5 Cl1 38.4(7) 15 . . 28 ?
O5 Cl1 O5 Cl1 -38.3(8) 38 . . 28 ?
O6 Cl1 O5 Cl1 77.1(19) . . . 28 ?
O6 Cl1 O5 Cl1 -179.95(9) 6 . . 28 ?
O6 Cl1 O5 Cl1 -77(2) 5 . . 28 ?
O6 Cl1 O5 Cl1 -63.2(12) 15 . . 28 ?
O6 Cl1 O5 Cl1 63.3(13) 43 . . 28 ?
O5 Cl1 O5 Cl1 -147.0(4) 28 . . 15 ?
Cl1 Cl1 O5 Cl1 66.1(8) 38 . . 15 ?
Cl1 Cl1 O5 Cl1 33.0(4) 28 . . 15 ?
O5 Cl1 O5 Cl1 71.4(4) 15 . . 15 ?
O5 Cl1 O5 Cl1 -5.3(12) 38 . . 15 ?
O6 Cl1 O5 Cl1 110.1(15) . . . 15 ?
O6 Cl1 O5 Cl1 -147.0(4) 6 . . 15 ?
O6 Cl1 O5 Cl1 -44(2) 5 . . 15 ?
O6 Cl1 O5 Cl1 -30.2(9) 15 . . 15 ?
O6 Cl1 O5 Cl1 96.3(16) 43 . . 15 ?
O5 Cl1 O5 Cl1 146.9(4) 28 . . 38 ?
Cl1 Cl1 O5 Cl1 -33.1(4) 28 . . 38 ?
Cl1 Cl1 O5 Cl1 -66.1(8) 15 . . 38 ?
O5 Cl1 O5 Cl1 5.3(12) 15 . . 38 ?
O5 Cl1 O5 Cl1 -71.4(4) 38 . . 38 ?
O6 Cl1 O5 Cl1 44(2) . . . 38 ?
O6 Cl1 O5 Cl1 147.0(4) 6 . . 38 ?
O6 Cl1 O5 Cl1 -110.1(15) 5 . . 38 ?
O6 Cl1 O5 Cl1 -96.3(16) 15 . . 38 ?
O6 Cl1 O5 Cl1 30.2(9) 43 . . 38 ?
O5 Cl1 O5 O6 -116.8(12) 28 . . 15 ?
Cl1 Cl1 O5 O6 96.3(16) 38 . . 15 ?
Cl1 Cl1 O5 O6 63.2(13) 28 . . 15 ?
Cl1 Cl1 O5 O6 30.2(9) 15 . . 15 ?
O5 Cl1 O5 O6 101.6(6) 15 . . 15 ?
O5 Cl1 O5 O6 25(2) 38 . . 15 ?
O6 Cl1 O5 O6 140.3(11) . . . 15 ?
O6 Cl1 O5 O6 -116.7(12) 6 . . 15 ?
O6 Cl1 O5 O6 -14(3) 5 . . 15 ?
O6 Cl1 O5 O6 127(2) 43 . . 15 ?
O5 Cl1 O5 O6 -0.018(12) 28 . . 6 ?
Cl1 Cl1 O5 O6 -147.0(4) 38 . . 6 ?
Cl1 Cl1 O5 O6 179.95(6) 28 . . 6 ?
Cl1 Cl1 O5 O6 147.0(4) 15 . . 6 ?
O5 Cl1 O5 O6 -141.6(8) 15 . . 6 ?
O5 Cl1 O5 O6 141.7(8) 38 . . 6 ?
O6 Cl1 O5 O6 -103.0(19) . . . 6 ?
O6 Cl1 O5 O6 103.0(19) 5 . . 6 ?
O6 Cl1 O5 O6 116.7(12) 15 . . 6 ?
O6 Cl1 O5 O6 -116.7(12) 43 . . 6 ?
O5 Cl1 O5 O6 116.7(13) 28 . . 43 ?
Cl1 Cl1 O5 O6 -30.2(9) 38 . . 43 ?
Cl1 Cl1 O5 O6 -63.3(13) 28 . . 43 ?
Cl1 Cl1 O5 O6 -96.3(16) 15 . . 43 ?
O5 Cl1 O5 O6 -25(2) 15 . . 43 ?
O5 Cl1 O5 O6 -101.6(6) 38 . . 43 ?
O6 Cl1 O5 O6 14(3) . . . 43 ?
O6 Cl1 O5 O6 116.7(12) 6 . . 43 ?
O6 Cl1 O5 O6 -140.3(11) 5 . . 43 ?
O6 Cl1 O5 O6 -127(2) 15 . . 43 ?
O5 Cl1 O5 O5 -141.7(8) 28 . . 38 ?
Cl1 Cl1 O5 O5 71.4(4) 38 . . 38 ?
Cl1 Cl1 O5 O5 38.3(8) 28 . . 38 ?
Cl1 Cl1 O5 O5 5.3(12) 15 . . 38 ?
O5 Cl1 O5 O5 76.7(16) 15 . . 38 ?
O6 Cl1 O5 O5 115(3) . . . 38 ?
O6 Cl1 O5 O5 -141.7(8) 6 . . 38 ?
O6 Cl1 O5 O5 -38.7(12) 5 . . 38 ?
O6 Cl1 O5 O5 -25(2) 15 . . 38 ?
O6 Cl1 O5 O5 101.6(6) 43 . . 38 ?
O5 Cl1 O5 O5 141.6(8) 28 . . 15 ?
Cl1 Cl1 O5 O5 -5.3(12) 38 . . 15 ?
Cl1 Cl1 O5 O5 -38.4(8) 28 . . 15 ?
Cl1 Cl1 O5 O5 -71.4(4) 15 . . 15 ?
O5 Cl1 O5 O5 -76.7(16) 38 . . 15 ?
O6 Cl1 O5 O5 38.7(12) . . . 15 ?
O6 Cl1 O5 O5 141.6(8) 6 . . 15 ?
O6 Cl1 O5 O5 -115(3) 5 . . 15 ?
O6 Cl1 O5 O5 -101.6(6) 15 . . 15 ?
O6 Cl1 O5 O5 25(2) 43 . . 15 ?
Cl1 Cl1 O5 O5 -146.9(4) 38 . . 28 ?
Cl1 Cl1 O5 O5 179.97(6) 28 . . 28 ?
Cl1 Cl1 O5 O5 147.0(4) 15 . . 28 ?
O5 Cl1 O5 O5 -141.6(7) 15 . . 28 ?
O5 Cl1 O5 O5 141.7(8) 38 . . 28 ?
O6 Cl1 O5 O5 -102.9(19) . . . 28 ?
O6 Cl1 O5 O5 0.02(5) 6 . . 28 ?
O6 Cl1 O5 O5 103(2) 5 . . 28 ?
O6 Cl1 O5 O5 116.8(12) 15 . . 28 ?
O6 Cl1 O5 O5 -116.7(13) 43 . . 28 ?
O5 Cl1 O6 O5 180.0(2) 28 . . 15 ?
Cl1 Cl1 O6 O5 0.000(2) 38 . . 15 ?
Cl1 Cl1 O6 O5 -34.6(4) 28 . . 15 ?
Cl1 Cl1 O6 O5 34.6(4) 15 . . 15 ?
O5 Cl1 O6 O5 43(2) 38 . . 15 ?
O5 Cl1 O6 O5 -43(2) . . . 15 ?
O6 Cl1 O6 O5 -112.2(18) 6 . . 15 ?
O6 Cl1 O6 O5 112.2(18) 5 . . 15 ?
O6 Cl1 O6 O5 0.000(2) 15 . . 15 ?
O6 Cl1 O6 O5 -34.6(4) 43 . . 15 ?
Cl1 Cl1 O6 O5 180.00(19) 38 . . 28 ?
Cl1 Cl1 O6 O5 145.4(4) 28 . . 28 ?
Cl1 Cl1 O6 O5 -145.4(4) 15 . . 28 ?
O5 Cl1 O6 O5 180.0(2) 15 . . 28 ?
O5 Cl1 O6 O5 -137(2) 38 . . 28 ?
O5 Cl1 O6 O5 137(2) . . . 28 ?
O6 Cl1 O6 O5 67.8(18) 6 . . 28 ?
O6 Cl1 O6 O5 -67.8(18) 5 . . 28 ?
O6 Cl1 O6 O5 180.00(17) 15 . . 28 ?
O6 Cl1 O6 O5 145.4(4) 43 . . 28 ?
O5 Cl1 O6 Cl1 180.00(19) 28 . . 38 ?
Cl1 Cl1 O6 Cl1 -34.6(4) 28 . . 38 ?
Cl1 Cl1 O6 Cl1 34.6(4) 15 . . 38 ?
O5 Cl1 O6 Cl1 0.000(5) 15 . . 38 ?
O5 Cl1 O6 Cl1 43(2) 38 . . 38 ?
O5 Cl1 O6 Cl1 -43(2) . . . 38 ?
O6 Cl1 O6 Cl1 -112.2(18) 6 . . 38 ?
O6 Cl1 O6 Cl1 112.2(18) 5 . . 38 ?
O6 Cl1 O6 Cl1 0.000(4) 15 . . 38 ?
O6 Cl1 O6 Cl1 -34.6(4) 43 . . 38 ?
O5 Cl1 O6 Cl1 -145.4(4) 28 . . 28 ?
Cl1 Cl1 O6 Cl1 34.6(4) 38 . . 28 ?
Cl1 Cl1 O6 Cl1 69.1(8) 15 . . 28 ?
O5 Cl1 O6 Cl1 34.6(4) 15 . . 28 ?
O5 Cl1 O6 Cl1 78(3) 38 . . 28 ?
O5 Cl1 O6 Cl1 -9(2) . . . 28 ?
O6 Cl1 O6 Cl1 -77.6(14) 6 . . 28 ?
O6 Cl1 O6 Cl1 147(2) 5 . . 28 ?
O6 Cl1 O6 Cl1 34.6(4) 15 . . 28 ?
O6 Cl1 O6 Cl1 0.000(5) 43 . . 28 ?
O5 Cl1 O6 Cl1 145.4(4) 28 . . 15 ?
Cl1 Cl1 O6 Cl1 -34.6(4) 38 . . 15 ?
Cl1 Cl1 O6 Cl1 -69.1(8) 28 . . 15 ?
O5 Cl1 O6 Cl1 -34.6(4) 15 . . 15 ?
O5 Cl1 O6 Cl1 9(2) 38 . . 15 ?
O5 Cl1 O6 Cl1 -78(3) . . . 15 ?
O6 Cl1 O6 Cl1 -147(2) 6 . . 15 ?
O6 Cl1 O6 Cl1 77.6(14) 5 . . 15 ?
O6 Cl1 O6 Cl1 -34.6(4) 15 . . 15 ?
O6 Cl1 O6 Cl1 -69.1(8) 43 . . 15 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 O4 0.92 2.12 2.970(12) 153.8 43
N1 H2 O9 0.92 2.24 3.00(2) 140.6 41_545
N1 H2 O10 0.92 2.45 3.31(2) 156.4 43
N1 H2 Cl3 0.92 2.76 3.625(10) 156.1 41_545

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.43
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.736
_refine_diff_density_min         -1.994
_refine_diff_density_rms         0.390

_publ_section_references         
;Wakita, K. (2001). Yadokari-XG. Software for Crystal Structure Analyses.
;


data_[2]Cl2
_database_code_depnum_ccdc_archive 'CCDC 823782'
#TrackingRef '- konno_revised.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H106 Au4 Cl2 Co2 N4 O19 P4 S4'
_chemical_formula_weight         2560.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 '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'
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'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Cubic
_symmetry_space_group_name_H-M   F23

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

_cell_length_a                   38.0216(6)
_cell_length_b                   38.0216(6)
_cell_length_c                   38.0216(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     54965.6(15)
_cell_formula_units_Z            24
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    98673
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.4

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             29904
_exptl_absorpt_coefficient_mu    7.018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4864
_exptl_absorpt_correction_T_max  0.5404
_exptl_absorpt_process_details   
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.00
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            134160
_diffrn_reflns_av_R_equivalents  0.1128
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         27.45
_reflns_number_total             10478
_reflns_number_gt                9339
_reflns_threshold_expression     >2sigma(I)
_chemical_absolute_configuration rm

_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  
;Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)
;

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
SIMU restraints were used to model two phenyl rings containing C12 and C18.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.044(7)
_refine_ls_number_reflns         10478
_refine_ls_number_parameters     508
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.1392
_refine_ls_wR_factor_gt          0.1338
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_restrained_S_all      0.989
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.521455(10) 0.179349(10) 0.219026(10) 0.03902(11) Uani 1 1 d . . .
Au2 Au 0.484558(9) 0.252339(10) 0.170306(9) 0.03278(10) Uani 1 1 d . . .
Co1 Co 0.50679(3) 0.17460(3) 0.12464(3) 0.0304(3) Uani 1 1 d . . .
S1 S 0.47943(6) 0.16436(6) 0.17725(7) 0.0376(5) Uani 1 1 d . . .
S2 S 0.53128(6) 0.22708(6) 0.14040(6) 0.0298(4) Uani 1 1 d . . .
N1 N 0.4912(3) 0.1272(2) 0.1119(2) 0.044(2) Uani 1 1 d . . .
H1 H 0.4671 0.1263 0.1095 0.053 Uiso 1 1 calc R . .
H2 H 0.5015 0.1198 0.0914 0.053 Uiso 1 1 calc R . .
N2 N 0.52609(19) 0.18478(19) 0.07769(19) 0.0295(15) Uani 1 1 d . . .
H3 H 0.5503 0.1847 0.0778 0.035 Uiso 1 1 calc R . .
H4 H 0.5180 0.1691 0.0611 0.035 Uiso 1 1 calc R . .
O1 O 0.54812(17) 0.15031(19) 0.1407(2) 0.0405(16) Uani 1 1 d . . .
O2 O 0.5641(2) 0.0980(2) 0.1602(3) 0.074(3) Uani 1 1 d . . .
O3 O 0.46602(16) 0.19779(18) 0.10666(18) 0.0360(15) Uani 1 1 d . . .
O4 O 0.45071(18) 0.23858(18) 0.0678(2) 0.0435(16) Uani 1 1 d . . .
C1 C 0.4799(3) 0.1155(3) 0.1744(3) 0.047(3) Uani 1 1 d . . .
C2 C 0.5031(3) 0.1058(3) 0.1423(4) 0.052(3) Uani 1 1 d . . .
H5 H 0.5019 0.0801 0.1370 0.062 Uiso 1 1 calc R . .
C3 C 0.5414(3) 0.1178(3) 0.1490(3) 0.047(3) Uani 1 1 d . . .
C4 C 0.4431(3) 0.1030(3) 0.1692(3) 0.051(3) Uani 1 1 d . . .
H6 H 0.4363 0.1066 0.1446 0.062 Uiso 1 1 calc R . .
H7 H 0.4273 0.1162 0.1846 0.062 Uiso 1 1 calc R . .
H8 H 0.4418 0.0779 0.1749 0.062 Uiso 1 1 calc R . .
C5 C 0.4935(3) 0.0984(3) 0.2088(3) 0.051(3) Uani 1 1 d . . .
H9 H 0.4778 0.1046 0.2283 0.06(4) Uiso 1 1 calc R . .
H10 H 0.5172 0.1071 0.2139 0.10(6) Uiso 1 1 calc R . .
H11 H 0.4941 0.0728 0.2060 0.02(2) Uiso 1 1 calc R . .
C6 C 0.5322(2) 0.2468(3) 0.0957(2) 0.0334(18) Uani 1 1 d . . .
C7 C 0.5119(2) 0.2206(2) 0.0717(2) 0.0303(18) Uani 1 1 d . . .
H12 H 0.5150 0.2274 0.0464 0.036 Uiso 1 1 calc R . .
C8 C 0.4739(2) 0.2195(3) 0.0807(2) 0.0330(19) Uani 1 1 d . . .
C9 C 0.5146(3) 0.2836(2) 0.0947(3) 0.040(2) Uani 1 1 d . . .
H13 H 0.5234 0.2979 0.1142 0.048 Uiso 1 1 calc R . .
H14 H 0.4891 0.2810 0.0968 0.048 Uiso 1 1 calc R . .
H15 H 0.5202 0.2952 0.0723 0.048 Uiso 1 1 calc R . .
C10 C 0.5701(2) 0.2511(3) 0.0842(3) 0.040(2) Uani 1 1 d . . .
H16 H 0.5820 0.2282 0.0850 0.048 Uiso 1 1 calc R . .
H17 H 0.5821 0.2675 0.1001 0.048 Uiso 1 1 calc R . .
H18 H 0.5708 0.2603 0.0602 0.048 Uiso 1 1 calc R . .
P1 P 0.56388(7) 0.19245(7) 0.25899(7) 0.0390(6) Uani 1 1 d . . .
C11 C 0.5672(3) 0.2397(3) 0.2671(3) 0.043(2) Uani 1 1 d . . .
H19 H 0.5471 0.2473 0.2819 0.051 Uiso 1 1 calc R . .
H20 H 0.5891 0.2447 0.2802 0.051 Uiso 1 1 calc R . .
C12 C 0.6074(3) 0.1782(3) 0.2454(3) 0.048(3) Uani 1 1 d U . .
C13 C 0.6384(4) 0.1947(6) 0.2584(3) 0.087(5) Uani 1 1 d U . .
H21 H 0.6381 0.2152 0.2726 0.104 Uiso 1 1 calc R . .
C14 C 0.6706(3) 0.1772(5) 0.2477(4) 0.083(5) Uani 1 1 d U . .
H22 H 0.6922 0.1853 0.2572 0.099 Uiso 1 1 calc R . .
C15 C 0.6712(4) 0.1512(5) 0.2259(3) 0.076(4) Uani 1 1 d U . .
H23 H 0.6931 0.1404 0.2205 0.091 Uiso 1 1 calc R . .
C16 C 0.6405(4) 0.1384(3) 0.2101(4) 0.069(4) Uani 1 1 d U . .
H24 H 0.6423 0.1191 0.1943 0.083 Uiso 1 1 calc R . .
C17 C 0.6072(4) 0.1527(3) 0.2165(4) 0.063(3) Uani 1 1 d U . .
H25 H 0.5868 0.1467 0.2035 0.076 Uiso 1 1 calc R . .
C18 C 0.5591(3) 0.1715(3) 0.3018(3) 0.047(3) Uani 1 1 d U . .
C19 C 0.5816(4) 0.1821(4) 0.3299(3) 0.056(3) Uani 1 1 d U . .
H26 H 0.5962 0.2023 0.3282 0.067 Uiso 1 1 calc R . .
C20 C 0.5811(4) 0.1603(4) 0.3613(3) 0.061(3) Uani 1 1 d U . .
H27 H 0.5977 0.1642 0.3795 0.073 Uiso 1 1 calc R . .
C21 C 0.5564(5) 0.1339(5) 0.3646(4) 0.089(6) Uani 1 1 d U . .
H28 H 0.5545 0.1212 0.3860 0.107 Uiso 1 1 calc R . .
C22 C 0.5340(7) 0.1257(5) 0.3364(6) 0.116(7) Uani 1 1 d U . .
H29 H 0.5172 0.1074 0.3389 0.139 Uiso 1 1 calc R . .
C23 C 0.5361(5) 0.1435(4) 0.3057(5) 0.082(5) Uani 1 1 d U . .
H30 H 0.5216 0.1367 0.2866 0.098 Uiso 1 1 calc R . .
P2 P 0.43783(7) 0.27629(7) 0.19792(6) 0.0332(5) Uani 1 1 d . . .
C24 C 0.4365(3) 0.2690(2) 0.2449(3) 0.042(2) Uani 1 1 d . . .
H31 H 0.4572 0.2806 0.2557 0.050 Uiso 1 1 calc R . .
H32 H 0.4151 0.2803 0.2545 0.050 Uiso 1 1 calc R . .
C25 C 0.3970(3) 0.2571(2) 0.1829(2) 0.035(2) Uani 1 1 d . . .
C26 C 0.3972(3) 0.2324(3) 0.1569(3) 0.053(3) Uani 1 1 d . . .
H33 H 0.4187 0.2251 0.1464 0.064 Uiso 1 1 calc R . .
C27 C 0.3647(3) 0.2177(4) 0.1458(4) 0.056(3) Uani 1 1 d . . .
H34 H 0.3650 0.1993 0.1289 0.067 Uiso 1 1 calc R . .
C28 C 0.3339(3) 0.2289(4) 0.1581(3) 0.056(3) Uani 1 1 d . . .
H35 H 0.3123 0.2204 0.1488 0.068 Uiso 1 1 calc R . .
C29 C 0.3343(3) 0.2537(3) 0.1854(3) 0.050(3) Uani 1 1 d . . .
H36 H 0.3128 0.2602 0.1963 0.060 Uiso 1 1 calc R . .
C30 C 0.3642(3) 0.2683(3) 0.1964(3) 0.043(2) Uani 1 1 d . . .
H37 H 0.3635 0.2865 0.2135 0.052 Uiso 1 1 calc R . .
C31 C 0.4345(3) 0.3222(3) 0.1921(3) 0.049(3) Uani 1 1 d . . .
C32 C 0.4404(6) 0.3357(4) 0.1580(4) 0.101(7) Uani 1 1 d . . .
H38 H 0.4469 0.3203 0.1395 0.121 Uiso 1 1 calc R . .
C33 C 0.4365(6) 0.3714(4) 0.1516(5) 0.097(6) Uani 1 1 d . . .
H39 H 0.4382 0.3796 0.1280 0.116 Uiso 1 1 calc R . .
C34 C 0.4303(4) 0.3954(3) 0.1784(5) 0.074(4) Uani 1 1 d . . .
H40 H 0.4288 0.4198 0.1736 0.088 Uiso 1 1 calc R . .
C35 C 0.4264(4) 0.3831(3) 0.2112(4) 0.071(4) Uani 1 1 d . . .
H41 H 0.4215 0.3990 0.2298 0.085 Uiso 1 1 calc R . .
C36 C 0.4294(5) 0.3465(3) 0.2188(3) 0.074(5) Uani 1 1 d . . .
H42 H 0.4279 0.3387 0.2424 0.089 Uiso 1 1 calc R . .
Cl1 Cl 0.7500 0.2500 0.2500 0.172(10) Uani 1 12 d S . .
Cl2 Cl 0.2500 0.2500 0.2500 0.0493(19) Uani 1 12 d S . .
Cl3 Cl 0.42347(16) 0.07653(16) 0.07653(16) 0.101(3) Uani 1 3 d S . .
Cl4 Cl 0.5000 0.15814(17) 0.0000 0.0826(16) Uani 1 2 d S . .
O5 O 0.5327(8) 0.0327(8) 0.0327(8) 0.106(14) Uiso 0.50 3 d SP . .
O6 O 0.5333(7) 0.1002(6) 0.0567(6) 0.206(11) Uani 1 1 d . . .
O7 O 0.5939(10) 0.0939(10) 0.0939(10) 0.15(2) Uiso 0.50 3 d SP A 1
O8 O 0.6181(6) 0.1181(6) 0.1181(6) 0.084(11) Uiso 0.50 3 d SP B 2
O10 O 0.5518(11) 0.4507(11) 0.1046(11) 0.147(13) Uiso 0.50 1 d P C 2
O9 O 0.5254(15) 0.4387(16) 0.0890(16) 0.22(2) Uiso 0.50 1 d P D 1
O14 O 0.4332(14) 0.4662(14) 0.0949(15) 0.199(19) Uiso 0.50 1 d P E 2
O11 O 0.5022(8) 0.4575(7) 0.1501(7) 0.088(7) Uiso 0.50 1 d P F 1
O12 O 0.4818(9) 0.4616(9) 0.1457(9) 0.115(10) Uiso 0.50 1 d P G 2
O15 O 0.4955(2) 0.4642(3) 0.2220(3) 0.069(2) Uani 1 1 d . . .
O13 O 0.4343(12) 0.4763(13) 0.1302(13) 0.177(16) Uiso 0.50 1 d P H 1

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.0392(2) 0.0379(2) 0.0399(2) 0.00472(15) 0.00693(16) 0.00401(16)
Au2 0.03254(18) 0.03358(18) 0.03222(18) -0.00329(14) 0.00311(13) 0.00180(15)
Co1 0.0261(6) 0.0298(6) 0.0352(6) 0.0007(5) 0.0031(5) 0.0023(5)
S1 0.0338(11) 0.0356(12) 0.0434(13) 0.0072(10) 0.0089(10) 0.0039(9)
S2 0.0262(10) 0.0329(11) 0.0304(11) 0.0003(8) -0.0009(8) 0.0046(8)
N1 0.058(6) 0.029(4) 0.045(5) 0.000(4) 0.004(4) -0.002(4)
N2 0.026(4) 0.030(4) 0.032(4) -0.008(3) -0.001(3) -0.003(3)
O1 0.026(3) 0.042(4) 0.053(4) 0.011(3) 0.001(3) 0.009(3)
O2 0.040(4) 0.044(5) 0.137(10) 0.042(5) 0.016(5) 0.020(4)
O3 0.027(3) 0.043(4) 0.038(4) -0.009(3) -0.001(3) -0.007(3)
O4 0.033(3) 0.038(4) 0.060(5) 0.004(3) -0.008(3) 0.010(3)
C1 0.027(5) 0.044(6) 0.070(7) 0.013(5) 0.006(5) -0.002(4)
C2 0.053(6) 0.029(5) 0.074(8) 0.008(5) 0.007(6) -0.008(5)
C3 0.047(6) 0.030(5) 0.064(7) 0.018(5) 0.019(5) 0.011(4)
C4 0.028(5) 0.067(7) 0.059(7) -0.001(6) 0.011(5) -0.020(5)
C5 0.048(6) 0.041(6) 0.065(7) 0.013(5) -0.005(6) -0.002(5)
C6 0.032(4) 0.033(5) 0.035(4) -0.007(4) 0.006(3) 0.002(4)
C7 0.026(4) 0.034(4) 0.031(4) -0.003(4) -0.006(3) 0.006(3)
C8 0.030(4) 0.037(5) 0.032(4) -0.009(4) -0.005(4) -0.001(4)
C9 0.042(5) 0.033(5) 0.045(5) -0.001(4) -0.013(4) 0.002(4)
C10 0.034(5) 0.047(5) 0.040(5) -0.003(5) 0.014(4) 0.002(4)
P1 0.0355(13) 0.0415(13) 0.0400(14) 0.0063(10) 0.0055(10) 0.0077(10)
C11 0.036(5) 0.041(6) 0.051(6) 0.009(4) -0.011(4) -0.002(4)
C12 0.036(5) 0.070(7) 0.037(5) 0.011(5) 0.004(4) 0.016(5)
C13 0.047(7) 0.176(16) 0.037(6) -0.015(8) -0.010(5) 0.033(9)
C14 0.030(5) 0.157(15) 0.062(8) 0.014(10) 0.000(6) 0.029(7)
C15 0.076(9) 0.111(12) 0.040(7) 0.011(7) 0.007(6) 0.037(9)
C16 0.092(10) 0.038(6) 0.077(9) -0.002(6) 0.032(8) 0.009(6)
C17 0.073(8) 0.029(5) 0.088(9) 0.006(6) 0.028(7) 0.007(5)
C18 0.039(5) 0.050(6) 0.053(6) 0.024(5) 0.025(5) 0.021(5)
C19 0.072(8) 0.060(7) 0.035(5) 0.000(5) -0.004(5) 0.012(6)
C20 0.069(8) 0.064(8) 0.049(7) 0.007(6) 0.013(6) 0.034(7)
C21 0.121(14) 0.087(11) 0.060(9) 0.042(8) 0.034(9) 0.052(10)
C22 0.140(16) 0.094(12) 0.113(15) 0.049(11) 0.049(13) -0.033(12)
C23 0.084(10) 0.080(10) 0.082(10) 0.036(8) 0.020(8) -0.003(8)
P2 0.0371(12) 0.0344(12) 0.0280(11) -0.0059(9) 0.0034(9) 0.0017(10)
C24 0.050(6) 0.031(5) 0.044(6) -0.004(4) 0.004(5) 0.010(4)
C25 0.047(5) 0.034(5) 0.025(4) -0.001(4) -0.001(4) -0.001(4)
C26 0.056(7) 0.060(7) 0.044(6) -0.002(5) 0.014(5) -0.004(6)
C27 0.037(6) 0.062(7) 0.068(8) -0.027(6) 0.008(5) -0.013(5)
C28 0.033(5) 0.072(8) 0.064(8) 0.015(6) -0.003(5) 0.002(5)
C29 0.050(6) 0.051(6) 0.049(6) -0.008(5) -0.008(5) 0.019(5)
C30 0.037(5) 0.043(6) 0.050(6) -0.008(5) -0.018(5) 0.010(4)
C31 0.050(6) 0.037(6) 0.060(7) -0.001(5) 0.006(5) -0.002(5)
C32 0.20(2) 0.051(8) 0.047(8) 0.003(6) 0.021(11) 0.032(11)
C33 0.148(18) 0.056(9) 0.087(12) 0.023(8) -0.009(12) 0.021(10)
C34 0.075(9) 0.031(6) 0.115(13) 0.010(7) 0.010(9) 0.015(6)
C35 0.099(11) 0.030(6) 0.084(10) -0.029(6) -0.028(8) 0.007(6)
C36 0.157(15) 0.025(5) 0.040(6) -0.004(5) -0.016(8) 0.003(7)
Cl1 0.172(10) 0.172(10) 0.172(10) 0.000 0.000 0.000
Cl2 0.0493(19) 0.0493(19) 0.0493(19) 0.000 0.000 0.000
Cl3 0.101(3) 0.101(3) 0.101(3) 0.017(3) -0.017(3) -0.017(3)
Cl4 0.103(4) 0.090(4) 0.055(3) 0.000 -0.026(3) 0.000
O6 0.22(2) 0.180(19) 0.22(2) -0.062(17) 0.142(19) 0.028(18)
O15 0.053(5) 0.083(7) 0.070(6) 0.006(5) -0.007(5) -0.001(5)

_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 2.271(3) . ?
Au1 S1 2.324(3) . ?
Au2 P2 2.256(2) . ?
Au2 S2 2.318(2) . ?
Co1 O3 1.910(7) . ?
Co1 O1 1.922(6) . ?
Co1 N1 1.959(8) . ?
Co1 N2 1.969(8) . ?
Co1 S2 2.282(3) . ?
Co1 S1 2.288(3) . ?
S1 C1 1.860(11) . ?
S2 C6 1.856(10) . ?
N1 C2 1.482(15) . ?
N2 C7 1.482(11) . ?
O1 C3 1.300(12) . ?
O2 C3 1.222(13) . ?
O3 C8 1.321(12) . ?
O4 C8 1.244(12) . ?
C1 C4 1.489(14) . ?
C1 C5 1.549(16) . ?
C1 C2 1.553(17) . ?
C2 C3 1.547(17) . ?
C6 C10 1.515(12) . ?
C6 C9 1.553(13) . ?
C6 C7 1.557(12) . ?
C7 C8 1.486(13) . ?
P1 C12 1.815(10) . ?
P1 C18 1.820(10) . ?
P1 C11 1.826(11) . ?
C11 C11 1.52(2) 15 ?
C12 C13 1.43(2) . ?
C12 C17 1.464(19) . ?
C13 C14 1.449(19) . ?
C14 C15 1.29(2) . ?
C15 C16 1.40(2) . ?
C16 C17 1.398(19) . ?
C18 C23 1.38(2) . ?
C18 C19 1.429(18) . ?
C19 C20 1.453(17) . ?
C20 C21 1.38(2) . ?
C21 C22 1.40(3) . ?
C22 C23 1.35(2) . ?
P2 C31 1.765(11) . ?
P2 C24 1.807(11) . ?
P2 C25 1.809(10) . ?
C24 C24 1.499(19) 15 ?
C25 C26 1.363(15) . ?
C25 C30 1.414(15) . ?
C26 C27 1.420(17) . ?
C27 C28 1.332(16) . ?
C28 C29 1.402(18) . ?
C29 C30 1.333(16) . ?
C31 C36 1.383(16) . ?
C31 C32 1.412(19) . ?
C32 C33 1.39(2) . ?
C33 C34 1.39(2) . ?
C34 C35 1.34(2) . ?
C35 C36 1.423(17) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 S1 177.86(9) . . ?
P2 Au2 S2 178.02(9) . . ?
O3 Co1 O1 177.4(3) . . ?
O3 Co1 N1 95.2(3) . . ?
O1 Co1 N1 83.4(4) . . ?
O3 Co1 N2 83.5(3) . . ?
O1 Co1 N2 94.5(3) . . ?
N1 Co1 N2 94.0(3) . . ?
O3 Co1 S2 91.2(2) . . ?
O1 Co1 S2 90.2(2) . . ?
N1 Co1 S2 173.4(3) . . ?
N2 Co1 S2 85.1(2) . . ?
O3 Co1 S1 91.3(2) . . ?
O1 Co1 S1 90.7(2) . . ?
N1 Co1 S1 85.5(3) . . ?
N2 Co1 S1 174.7(2) . . ?
S2 Co1 S1 96.02(10) . . ?
C1 S1 Co1 96.6(4) . . ?
C1 S1 Au1 106.1(4) . . ?
Co1 S1 Au1 104.07(10) . . ?
C6 S2 Co1 96.9(3) . . ?
C6 S2 Au2 107.3(3) . . ?
Co1 S2 Au2 100.27(9) . . ?
C2 N1 Co1 102.6(7) . . ?
C7 N2 Co1 100.7(5) . . ?
C3 O1 Co1 111.9(7) . . ?
C8 O3 Co1 111.8(6) . . ?
C4 C1 C5 106.9(9) . . ?
C4 C1 C2 110.6(10) . . ?
C5 C1 C2 112.0(9) . . ?
C4 C1 S1 108.6(8) . . ?
C5 C1 S1 111.9(8) . . ?
C2 C1 S1 106.7(7) . . ?
N1 C2 C3 104.8(9) . . ?
N1 C2 C1 108.0(9) . . ?
C3 C2 C1 109.7(10) . . ?
O2 C3 O1 122.1(11) . . ?
O2 C3 C2 122.8(10) . . ?
O1 C3 C2 115.1(9) . . ?
C10 C6 C9 107.8(8) . . ?
C10 C6 C7 111.8(7) . . ?
C9 C6 C7 110.3(7) . . ?
C10 C6 S2 109.1(7) . . ?
C9 C6 S2 112.3(6) . . ?
C7 C6 S2 105.7(6) . . ?
N2 C7 C8 106.9(8) . . ?
N2 C7 C6 108.4(7) . . ?
C8 C7 C6 111.4(7) . . ?
O4 C8 O3 119.9(9) . . ?
O4 C8 C7 125.6(9) . . ?
O3 C8 C7 114.3(8) . . ?
C12 P1 C18 102.4(5) . . ?
C12 P1 C11 106.2(5) . . ?
C18 P1 C11 106.6(6) . . ?
C12 P1 Au1 113.0(4) . . ?
C18 P1 Au1 115.5(4) . . ?
C11 P1 Au1 112.2(3) . . ?
C11 C11 P1 111.2(11) 15 . ?
C13 C12 C17 123.6(11) . . ?
C13 C12 P1 121.6(10) . . ?
C17 C12 P1 114.1(9) . . ?
C12 C13 C14 113.6(16) . . ?
C15 C14 C13 123.1(15) . . ?
C14 C15 C16 121.8(13) . . ?
C17 C16 C15 122.8(14) . . ?
C16 C17 C12 112.7(14) . . ?
C23 C18 C19 120.9(12) . . ?
C23 C18 P1 119.8(11) . . ?
C19 C18 P1 119.0(9) . . ?
C18 C19 C20 116.4(13) . . ?
C21 C20 C19 120.0(14) . . ?
C20 C21 C22 120.2(13) . . ?
C23 C22 C21 120.9(18) . . ?
C22 C23 C18 121.0(19) . . ?
C31 P2 C24 105.8(5) . . ?
C31 P2 C25 107.3(5) . . ?
C24 P2 C25 103.2(5) . . ?
C31 P2 Au2 113.4(4) . . ?
C24 P2 Au2 114.8(3) . . ?
C25 P2 Au2 111.5(3) . . ?
C24 C24 P2 113.9(10) 15 . ?
C26 C25 C30 118.5(10) . . ?
C26 C25 P2 120.1(8) . . ?
C30 C25 P2 121.4(7) . . ?
C25 C26 C27 118.7(11) . . ?
C28 C27 C26 122.4(12) . . ?
C27 C28 C29 117.7(11) . . ?
C30 C29 C28 121.5(11) . . ?
C29 C30 C25 120.8(10) . . ?
C36 C31 C32 116.8(11) . . ?
C36 C31 P2 125.4(10) . . ?
C32 C31 P2 117.5(9) . . ?
C33 C32 C31 120.1(15) . . ?
C32 C33 C34 122.0(16) . . ?
C35 C34 C33 118.2(12) . . ?
C34 C35 C36 121.2(12) . . ?
C31 C36 C35 121.1(12) . . ?

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
O3 Co1 S1 C1 116.6(4) . . . . ?
O1 Co1 S1 C1 -61.8(4) . . . . ?
N1 Co1 S1 C1 21.5(5) . . . . ?
S2 Co1 S1 C1 -152.0(4) . . . . ?
O3 Co1 S1 Au1 -134.9(2) . . . . ?
O1 Co1 S1 Au1 46.8(2) . . . . ?
N1 Co1 S1 Au1 130.0(3) . . . . ?
S2 Co1 S1 Au1 -43.48(10) . . . . ?
O3 Co1 S2 C6 -59.7(4) . . . . ?
O1 Co1 S2 C6 118.1(4) . . . . ?
N2 Co1 S2 C6 23.7(4) . . . . ?
S1 Co1 S2 C6 -151.1(3) . . . . ?
O3 Co1 S2 Au2 49.3(2) . . . . ?
O1 Co1 S2 Au2 -132.9(2) . . . . ?
N2 Co1 S2 Au2 132.7(2) . . . . ?
S1 Co1 S2 Au2 -42.14(10) . . . . ?
O3 Co1 N1 C2 -141.5(7) . . . . ?
O1 Co1 N1 C2 40.6(7) . . . . ?
N2 Co1 N1 C2 134.7(7) . . . . ?
S1 Co1 N1 C2 -50.6(7) . . . . ?
O3 Co1 N2 C7 39.5(5) . . . . ?
O1 Co1 N2 C7 -142.1(5) . . . . ?
N1 Co1 N2 C7 134.3(5) . . . . ?
S2 Co1 N2 C7 -52.3(5) . . . . ?
N1 Co1 O1 C3 -25.6(8) . . . . ?
N2 Co1 O1 C3 -119.1(8) . . . . ?
S2 Co1 O1 C3 155.8(7) . . . . ?
S1 Co1 O1 C3 59.8(7) . . . . ?
N1 Co1 O3 C8 -117.4(6) . . . . ?
N2 Co1 O3 C8 -23.9(6) . . . . ?
S2 Co1 O3 C8 61.0(6) . . . . ?
S1 Co1 O3 C8 157.0(6) . . . . ?
Co1 S1 C1 C4 -110.4(8) . . . . ?
Au1 S1 C1 C4 142.9(8) . . . . ?
Co1 S1 C1 C5 131.8(7) . . . . ?
Au1 S1 C1 C5 25.0(8) . . . . ?
Co1 S1 C1 C2 8.9(8) . . . . ?
Au1 S1 C1 C2 -97.8(8) . . . . ?
Co1 N1 C2 C3 -46.2(9) . . . . ?
Co1 N1 C2 C1 70.6(9) . . . . ?
C4 C1 C2 N1 68.6(11) . . . . ?
C5 C1 C2 N1 -172.1(9) . . . . ?
S1 C1 C2 N1 -49.3(10) . . . . ?
C4 C1 C2 C3 -177.7(9) . . . . ?
C5 C1 C2 C3 -58.5(11) . . . . ?
S1 C1 C2 C3 64.3(10) . . . . ?
Co1 O1 C3 O2 -179.0(11) . . . . ?
Co1 O1 C3 C2 3.0(13) . . . . ?
N1 C2 C3 O2 -147.7(12) . . . . ?
C1 C2 C3 O2 96.6(14) . . . . ?
N1 C2 C3 O1 30.2(14) . . . . ?
C1 C2 C3 O1 -85.5(12) . . . . ?
Co1 S2 C6 C10 -113.1(7) . . . . ?
Au2 S2 C6 C10 143.9(6) . . . . ?
Co1 S2 C6 C9 127.6(6) . . . . ?
Au2 S2 C6 C9 24.5(7) . . . . ?
Co1 S2 C6 C7 7.3(6) . . . . ?
Au2 S2 C6 C7 -95.8(5) . . . . ?
Co1 N2 C7 C8 -47.8(7) . . . . ?
Co1 N2 C7 C6 72.5(7) . . . . ?
C10 C6 C7 N2 68.8(10) . . . . ?
C9 C6 C7 N2 -171.3(7) . . . . ?
S2 C6 C7 N2 -49.8(8) . . . . ?
C10 C6 C7 C8 -173.8(8) . . . . ?
C9 C6 C7 C8 -53.9(10) . . . . ?
S2 C6 C7 C8 67.7(8) . . . . ?
Co1 O3 C8 O4 -174.7(7) . . . . ?
Co1 O3 C8 C7 0.2(9) . . . . ?
N2 C7 C8 O4 -151.8(9) . . . . ?
C6 C7 C8 O4 89.9(11) . . . . ?
N2 C7 C8 O3 33.6(10) . . . . ?
C6 C7 C8 O3 -84.7(10) . . . . ?
C12 P1 C11 C11 77.7(4) . . . 15 ?
C18 P1 C11 C11 -173.7(4) . . . 15 ?
Au1 P1 C11 C11 -46.3(3) . . . 15 ?
C18 P1 C12 C13 -80.0(12) . . . . ?
C11 P1 C12 C13 31.7(12) . . . . ?
Au1 P1 C12 C13 155.1(10) . . . . ?
C18 P1 C12 C17 109.2(9) . . . . ?
C11 P1 C12 C17 -139.1(9) . . . . ?
Au1 P1 C12 C17 -15.7(10) . . . . ?
C17 C12 C13 C14 -17(2) . . . . ?
P1 C12 C13 C14 173.4(11) . . . . ?
C12 C13 C14 C15 6(2) . . . . ?
C13 C14 C15 C16 2(3) . . . . ?
C14 C15 C16 C17 0(2) . . . . ?
C15 C16 C17 C12 -9.5(19) . . . . ?
C13 C12 C17 C16 18.2(18) . . . . ?
P1 C12 C17 C16 -171.2(9) . . . . ?
C12 P1 C18 C23 -108.6(11) . . . . ?
C11 P1 C18 C23 140.1(11) . . . . ?
Au1 P1 C18 C23 14.7(12) . . . . ?
C12 P1 C18 C19 65.7(10) . . . . ?
C11 P1 C18 C19 -45.7(10) . . . . ?
Au1 P1 C18 C19 -171.1(8) . . . . ?
C23 C18 C19 C20 5.0(17) . . . . ?
P1 C18 C19 C20 -169.2(9) . . . . ?
C18 C19 C20 C21 -8.4(18) . . . . ?
C19 C20 C21 C22 6(2) . . . . ?
C20 C21 C22 C23 0(3) . . . . ?
C21 C22 C23 C18 -3(3) . . . . ?
C19 C18 C23 C22 1(2) . . . . ?
P1 C18 C23 C22 174.8(16) . . . . ?
C31 P2 C24 C24 176.0(4) . . . 15 ?
C25 P2 C24 C24 63.4(4) . . . 15 ?
Au2 P2 C24 C24 -58.1(3) . . . 15 ?
C31 P2 C25 C26 122.5(9) . . . . ?
C24 P2 C25 C26 -126.1(9) . . . . ?
Au2 P2 C25 C26 -2.3(9) . . . . ?
C31 P2 C25 C30 -54.8(10) . . . . ?
C24 P2 C25 C30 56.7(9) . . . . ?
Au2 P2 C25 C30 -179.6(7) . . . . ?
C30 C25 C26 C27 -3.0(17) . . . . ?
P2 C25 C26 C27 179.7(10) . . . . ?
C25 C26 C27 C28 5(2) . . . . ?
C26 C27 C28 C29 -6(2) . . . . ?
C27 C28 C29 C30 6.5(19) . . . . ?
C28 C29 C30 C25 -5.3(18) . . . . ?
C26 C25 C30 C29 3.6(16) . . . . ?
P2 C25 C30 C29 -179.1(9) . . . . ?
C24 P2 C31 C36 -4.2(15) . . . . ?
C25 P2 C31 C36 105.4(14) . . . . ?
Au2 P2 C31 C36 -130.9(13) . . . . ?
C24 P2 C31 C32 170.4(13) . . . . ?
C25 P2 C31 C32 -80.0(14) . . . . ?
Au2 P2 C31 C32 43.7(14) . . . . ?
C36 C31 C32 C33 -8(3) . . . . ?
P2 C31 C32 C33 177.0(16) . . . . ?
C31 C32 C33 C34 6(3) . . . . ?
C32 C33 C34 C35 -3(3) . . . . ?
C33 C34 C35 C36 2(3) . . . . ?
C32 C31 C36 C35 7(2) . . . . ?
P2 C31 C36 C35 -178.7(12) . . . . ?
C34 C35 C36 C31 -4(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 Cl3 0.92 2.81 3.485(9) 131.2 .
N1 H2 O6 0.92 1.94 2.834(17) 164.5 .
N2 H3 O2 0.92 2.10 2.936(10) 149.8 30_554
N2 H4 Cl4 0.92 2.46 3.276(7) 148.2 .

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.45
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.898
_refine_diff_density_min         -1.721
_refine_diff_density_rms         0.154

_publ_section_references         
;Wakita, K. (2001). Yadokari-XG. Software for Crystal Structure Analyses.
;