# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 186/2219

data_global

_publ_contact_author
;
     Prof. Antonio Tiripicchio 
     Dipartimento di Chimica Generale ed Inorganica,
         Chimica Analitica, Chimica Fisica
     Universit\`a degli Studi di Parma
     Parco Area delle Sienze 17/A
     I-43100 Parma
     Italy
;
_publ_contact_letter
;
  
;
_publ_contact_author_phone          '[int.code]521 905 418'
_publ_contact_author_fax            '[int.code]521 905 557'
_publ_contact_author_email          'tiri@ipruniv.cce.unipr.it'
_publ_requested_journal             ' Dalton Transactions '
_publ_requested_coeditor_name        ' '

_publ_section_title
;
Mixed cobalt/gold clusters based on octahedral or prismatic Co6C skeletons 
;
loop_
    _publ_author_name
    _publ_author_address

;
     R. Reina
     O. Riba
     O. Rossell
     M. Seco
     D. de Montauzon
     A. Tiripicchio
     M.A. Pellinghelli
     M. Font-Bardia
     X. Solans
     'Antonio Tiripicchio '

;

;    Dipartimento di Chimica Generale ed Inorganica, 
         Chimica Analitica, Chimica Fisica
     Universit`a degli Studi di Parma
     Centro di Studio per la Strutturistica Diffrattometrica del CNR
     Parco Area delle Scienze 17/A
     I-43100 Parma
     Italy
;

#-------------------------- data section of block ---------------------------

#===BEGIN 
 
data_4
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C50 H30 Au2 Co6 O13 P2' 
_chemical_formula_weight          1648.19 
 
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' 
 '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' 
 
_symmetry_cell_setting            Triclinic 
_symmetry_space_group_name_H-M    P-1 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    13.837(2) 
_cell_length_b                    14.443(6) 
_cell_length_c                    16.918(5) 
_cell_angle_alpha                 80.90(2) 
_cell_angle_beta                  81.53(2) 
_cell_angle_gamma                 62.38(2) 
_cell_volume                      2947.4(16) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     30 
_cell_measurement_theta_min       8.0 
_cell_measurement_theta_max       14.3 
 
_exptl_crystal_description        'prism'
_exptl_crystal_colour             'black'
_exptl_crystal_size_max           0.40 
_exptl_crystal_size_mid           0.30 
_exptl_crystal_size_min           0.28 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.857 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1568 
_exptl_absorpt_coefficient_mu     6.711 
_exptl_absorpt_correction_type    'empirical' 
_exptl_absorpt_correction_T_min   0.441 
_exptl_absorpt_correction_T_max   1.000 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Philips PW 1100 diffractometer' 
_diffrn_measurement_method        \q/2\q 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          1 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         89 
_diffrn_reflns_number             7181 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.1653 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -14 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        17 
_diffrn_reflns_theta_min          3.06 
_diffrn_reflns_theta_max          22.00 
_reflns_number_total              7181 
_reflns_number_gt                 3939 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Philips PW 1100 local programs'  
_computing_cell_refinement        'local programs' 
_computing_data_reduction         'local programs' 
_computing_structure_solution     'SIR-92' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   'SHELXL-97' 
 
_refine_special_details 
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^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     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          7181 
_refine_ls_number_parameters      271 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.2108 
_refine_ls_R_factor_gt            0.1327 
_refine_ls_wR_factor_ref          0.3647 
_refine_ls_wR_factor_gt           0.3151 
_refine_ls_goodness_of_fit_ref    1.192 
_refine_ls_restrained_S_all       1.192 
_refine_ls_shift/su_max           0.006 
_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_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Au1 Au 0.38067(12) 0.39205(10) 0.29333(8) 0.0354(5) Uani 1 d . . . 
Au2 Au 0.57269(11) 0.20998(11) 0.24977(9) 0.0386(5) Uani 1 d . . . 
Co1 Co 0.3898(4) 0.2694(3) 0.1794(2) 0.0272(11) Uani 1 d . . . 
Co2 Co 0.3879(4) 0.2075(4) 0.3480(2) 0.0316(11) Uani 1 d . . . 
Co3 Co 0.5093(4) 0.0519(4) 0.2600(3) 0.0378(12) Uani 1 d . . . 
Co4 Co 0.3640(5) 0.1129(4) 0.1658(3) 0.0489(15) Uani 1 d . . . 
Co5 Co 0.2231(4) 0.2673(4) 0.2576(3) 0.0400(13) Uani 1 d . . . 
Co6 Co 0.3260(4) 0.0691(4) 0.3220(3) 0.0417(13) Uani 1 d . . . 
P1 P 0.3319(8) 0.5661(7) 0.3037(5) 0.036(2) Uani 1 d . . . 
P2 P 0.7456(7) 0.2020(7) 0.2280(6) 0.034(2) Uani 1 d . . . 
C C 0.368(3) 0.162(3) 0.258(2) 0.034(9) Uiso 1 d . . . 
C1 C 0.446(2) 0.344(2) 0.1136(18) 0.024(7) Uiso 1 d . . . 
O1 O 0.474(2) 0.399(2) 0.0723(17) 0.056(7) Uiso 1 d . . . 
C2 C 0.394(4) 0.210(4) 0.084(3) 0.067(13) Uiso 1 d . . . 
O2 O 0.410(3) 0.217(3) 0.014(2) 0.076(9) Uiso 1 d . . . 
C3 C 0.234(3) 0.378(3) 0.173(2) 0.042(9) Uiso 1 d . . . 
O3 O 0.186(2) 0.453(3) 0.1435(19) 0.068(8) Uiso 1 d . . . 
C4 C 0.502(3) 0.141(3) 0.401(2) 0.046(10) Uiso 1 d . . . 
O4 O 0.567(3) 0.098(3) 0.447(2) 0.081(10) Uiso 1 d . . . 
C5 C 0.303(4) 0.282(4) 0.423(3) 0.066(13) Uiso 1 d . . . 
O5 O 0.253(3) 0.323(3) 0.481(2) 0.101(12) Uiso 1 d . . . 
C6 C 0.653(4) -0.030(4) 0.283(3) 0.059(11) Uiso 1 d . . . 
O6 O 0.738(3) -0.076(2) 0.2968(19) 0.068(8) Uiso 1 d . . . 
C7 C 0.515(4) 0.005(4) 0.165(3) 0.069(13) Uiso 1 d . . . 
O7 O 0.570(3) -0.056(3) 0.115(3) 0.109(13) Uiso 1 d . . . 
C8 C 0.460(4) -0.048(4) 0.334(3) 0.076(14) Uiso 1 d . . . 
O8 O 0.507(4) -0.132(4) 0.371(3) 0.118(14) Uiso 1 d . . . 
C9 C 0.322(3) 0.056(3) 0.106(2) 0.042(9) Uiso 1 d . . . 
O9 O 0.284(3) 0.025(3) 0.064(2) 0.093(11) Uiso 1 d . . . 
C10 C 0.140(5) 0.233(5) 0.212(4) 0.096(18) Uiso 1 d . . . 
O10 O 0.074(4) 0.221(4) 0.184(3) 0.131(16) Uiso 1 d . . . 
C11 C 0.121(5) 0.352(4) 0.330(3) 0.085(16) Uiso 1 d . . . 
O11 O 0.050(3) 0.405(3) 0.367(2) 0.092(11) Uiso 1 d . . . 
C12 C 0.279(3) 0.086(3) 0.422(2) 0.034(9) Uiso 1 d . . . 
O12 O 0.228(3) 0.097(3) 0.485(2) 0.101(12) Uiso 1 d . . . 
C13 C 0.265(5) 0.002(4) 0.299(3) 0.085(16) Uiso 1 d . . . 
O13 O 0.215(4) -0.041(3) 0.283(3) 0.119(14) Uiso 1 d . . . 
C14 C 0.3440(19) 0.6413(16) 0.2093(11) 0.027(7) Uiso 1 d G . . 
C15 C 0.391(2) 0.7088(19) 0.2042(13) 0.043(9) Uiso 1 d G . . 
H15 H 0.4187 0.7146 0.2492 0.052 Uiso 1 calc R . . 
C16 C 0.398(2) 0.7675(19) 0.1319(16) 0.073(14) Uiso 1 d G . . 
H16 H 0.4293 0.8126 0.1286 0.088 Uiso 1 calc R . . 
C17 C 0.357(2) 0.759(2) 0.0647(12) 0.068(13) Uiso 1 d G . . 
H17 H 0.3609 0.7981 0.0163 0.082 Uiso 1 calc R . . 
C18 C 0.309(2) 0.691(2) 0.0697(11) 0.083(15) Uiso 1 d G . . 
H18 H 0.2820 0.6856 0.0247 0.100 Uiso 1 calc R . . 
C19 C 0.303(2) 0.6327(18) 0.1420(13) 0.038(9) Uiso 1 d G . . 
H19 H 0.2714 0.5876 0.1454 0.046 Uiso 1 calc R . . 
C20 C 0.1879(17) 0.6347(19) 0.3382(14) 0.043(9) Uiso 1 d G . . 
C21 C 0.122(2) 0.7353(19) 0.3046(14) 0.056(11) Uiso 1 d G . . 
H21 H 0.1499 0.7672 0.2619 0.067 Uiso 1 calc R . . 
C22 C 0.013(2) 0.7883(17) 0.3348(18) 0.069(13) Uiso 1 d G . . 
H22 H -0.0311 0.8556 0.3123 0.083 Uiso 1 calc R . . 
C23 C -0.0291(17) 0.741(2) 0.399(2) 0.11(2) Uiso 1 d G . . 
H23 H -0.1017 0.7762 0.4188 0.127 Uiso 1 calc R . . 
C24 C 0.037(2) 0.640(2) 0.4322(15) 0.084(16) Uiso 1 d G . . 
H24 H 0.0089 0.6083 0.4750 0.101 Uiso 1 calc R . . 
C25 C 0.146(2) 0.5872(17) 0.4021(14) 0.038(9) Uiso 1 d G . . 
H25 H 0.1899 0.5199 0.4246 0.046 Uiso 1 calc R . . 
C26 C 0.405(2) 0.590(2) 0.3707(16) 0.054(11) Uiso 1 d G . . 
C27 C 0.514(2) 0.5198(19) 0.3778(17) 0.056(11) Uiso 1 d G . . 
H27 H 0.5467 0.4600 0.3507 0.067 Uiso 1 calc R . . 
C28 C 0.5756(19) 0.539(2) 0.425(2) 0.081(15) Uiso 1 d G . . 
H28 H 0.6490 0.4920 0.4300 0.097 Uiso 1 calc R . . 
C29 C 0.527(3) 0.629(3) 0.466(2) 0.11(2) Uiso 1 d G . . 
H29 H 0.5683 0.6414 0.4977 0.130 Uiso 1 calc R . . 
C30 C 0.418(3) 0.699(2) 0.4588(19) 0.092(17) Uiso 1 d G . . 
H30 H 0.3854 0.7587 0.4859 0.111 Uiso 1 calc R . . 
C31 C 0.3564(19) 0.6797(19) 0.4113(17) 0.051(10) Uiso 1 d G . . 
H31 H 0.2831 0.7267 0.4066 0.062 Uiso 1 calc R . . 
C32 C 0.8469(16) 0.0891(17) 0.1772(14) 0.037(9) Uiso 1 d G . . 
C33 C 0.9576(18) 0.0476(18) 0.1878(13) 0.037(9) Uiso 1 d G . . 
H33 H 0.9806 0.0763 0.2221 0.044 Uiso 1 calc R . . 
C34 C 1.0337(15) -0.0368(19) 0.1471(16) 0.049(10) Uiso 1 d G . . 
H34 H 1.1078 -0.0645 0.1542 0.059 Uiso 1 calc R . . 
C35 C 0.999(2) -0.0797(19) 0.0958(17) 0.076(14) Uiso 1 d G . . 
H35 H 1.0502 -0.1362 0.0685 0.092 Uiso 1 calc R . . 
C36 C 0.889(2) -0.038(2) 0.0852(17) 0.094(17) Uiso 1 d G . . 
H36 H 0.8655 -0.0669 0.0508 0.113 Uiso 1 calc R . . 
C37 C 0.8124(17) 0.046(2) 0.1259(17) 0.061(12) Uiso 1 d G . . 
H37 H 0.7384 0.0739 0.1188 0.073 Uiso 1 calc R . . 
C38 C 0.744(2) 0.3189(17) 0.1635(15) 0.045(10) Uiso 1 d G . . 
C39 C 0.8358(18) 0.3114(18) 0.1128(17) 0.066(13) Uiso 1 d G . . 
H39 H 0.9001 0.2487 0.1139 0.079 Uiso 1 calc R . . 
C40 C 0.831(2) 0.398(2) 0.0605(16) 0.082(15) Uiso 1 d G . . 
H40 H 0.8923 0.3926 0.0266 0.098 Uiso 1 calc R . . 
C41 C 0.735(2) 0.4913(19) 0.0589(16) 0.062(12) Uiso 1 d G . . 
H41 H 0.7319 0.5490 0.0239 0.074 Uiso 1 calc R . . 
C42 C 0.6435(19) 0.4988(17) 0.1096(17) 0.081(15) Uiso 1 d G . . 
H42 H 0.5792 0.5615 0.1085 0.097 Uiso 1 calc R . . 
C43 C 0.6482(18) 0.413(2) 0.1619(15) 0.044(10) Uiso 1 d G . . 
H43 H 0.5870 0.4176 0.1958 0.053 Uiso 1 calc R . . 
C44 C 0.804(2) 0.199(2) 0.3177(13) 0.036(9) Uiso 1 d G . . 
C45 C 0.818(2) 0.1151(18) 0.3761(16) 0.062(12) Uiso 1 d G . . 
H45 H 0.7946 0.0662 0.3685 0.075 Uiso 1 calc R . . 
C46 C 0.865(3) 0.105(2) 0.4457(14) 0.072(13) Uiso 1 d G . . 
H46 H 0.8746 0.0489 0.4848 0.086 Uiso 1 calc R . . 
C47 C 0.900(2) 0.178(2) 0.4570(14) 0.074(14) Uiso 1 d G . . 
H47 H 0.9319 0.1709 0.5036 0.089 Uiso 1 calc R . . 
C48 C 0.886(2) 0.261(2) 0.3987(17) 0.077(14) Uiso 1 d G . . 
H48 H 0.9092 0.3102 0.4062 0.093 Uiso 1 calc R . . 
C49 C 0.838(2) 0.2717(18) 0.3290(15) 0.060(12) Uiso 1 d G . . 
H49 H 0.8292 0.3276 0.2900 0.072 Uiso 1 calc R . . 
 
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 0.0408(9) 0.0243(8) 0.0344(8) -0.0065(6) -0.0010(7) -0.0085(7) 
Au2 0.0263(8) 0.0324(9) 0.0520(9) 0.0005(7) -0.0107(7) -0.0085(7) 
Co1 0.031(3) 0.029(3) 0.023(2) -0.005(2) -0.009(2) -0.011(2) 
Co2 0.039(3) 0.031(3) 0.020(2) -0.001(2) -0.002(2) -0.012(2) 
Co3 0.038(3) 0.029(3) 0.040(3) -0.004(2) -0.001(2) -0.010(2) 
Co4 0.071(4) 0.053(4) 0.034(3) -0.009(3) -0.007(3) -0.035(3) 
Co5 0.027(3) 0.045(3) 0.041(3) 0.001(2) -0.001(2) -0.011(2) 
Co6 0.047(3) 0.037(3) 0.042(3) -0.003(2) -0.001(3) -0.021(3) 
P1 0.049(6) 0.029(5) 0.027(5) -0.011(4) 0.004(4) -0.014(5) 
P2 0.028(5) 0.037(6) 0.042(5) 0.003(4) -0.013(4) -0.016(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 2.311(9) . ? 
Au1 Co2 2.641(5) . ? 
Au1 Co1 2.770(4) . ? 
Au1 Au2 2.842(2) . ? 
Au2 P2 2.318(9) . ? 
Au2 Co1 2.666(4) . ? 
Au2 Co3 2.775(5) . ? 
Au2 Co2 2.848(5) . ? 
Co1 C1 1.77(3) . ? 
Co1 C2 1.93(5) . ? 
Co1 C3 2.00(4) . ? 
Co1 C 1.98(3) . ? 
Co1 Co5 2.496(6) . ? 
Co1 Co4 2.495(7) . ? 
Co1 Co2 2.851(6) . ? 
Co1 Co3 2.992(7) . ? 
Co2 C5 1.73(5) . ? 
Co2 C4 1.72(4) . ? 
Co2 C 1.85(3) . ? 
Co2 Co6 2.627(7) . ? 
Co2 Co3 2.628(7) . ? 
Co2 Co5 2.660(6) . ? 
Co3 C7 1.82(5) . ? 
Co3 C6 1.85(5) . ? 
Co3 C 1.86(4) . ? 
Co3 C8 2.05(5) . ? 
Co3 Co4 2.493(7) . ? 
Co3 Co6 2.512(7) . ? 
Co4 C9 1.71(4) . ? 
Co4 C 1.83(3) . ? 
Co4 C2 1.96(5) . ? 
Co4 C7 1.95(5) . ? 
Co4 Co6 2.651(7) . ? 
Co4 Co5 2.712(7) . ? 
Co5 C10 1.76(6) . ? 
Co5 C11 1.84(6) . ? 
Co5 C 1.88(4) . ? 
Co5 C3 2.02(4) . ? 
Co5 Co6 2.665(7) . ? 
Co6 C13 1.66(6) . ? 
Co6 C12 1.73(3) . ? 
Co6 C8 1.85(5) . ? 
Co6 C 1.85(3) . ? 
P1 C26 1.79(2) . ? 
P1 C20 1.82(2) . ? 
P1 C14 1.816(19) . ? 
P2 C44 1.81(2) . ? 
P2 C32 1.83(2) . ? 
P2 C38 1.85(2) . ? 
C1 O1 1.14(4) . ? 
C2 O2 1.16(5) . ? 
C3 O3 1.06(4) . ? 
C4 O4 1.16(5) . ? 
C5 O5 1.19(6) . ? 
C6 O6 1.09(5) . ? 
C7 O7 1.22(6) . ? 
C8 O8 1.20(6) . ? 
C9 O9 1.17(5) . ? 
C10 O10 1.18(6) . ? 
C11 O11 1.10(6) . ? 
C12 O12 1.18(5) . ? 
C13 O13 1.20(6) . ? 
C14 C15 1.3900 . ? 
C14 C19 1.3900 . ? 
C15 C16 1.3900 . ? 
C15 H15 0.9300 . ? 
C16 C17 1.3900 . ? 
C16 H16 0.9300 . ? 
C17 C18 1.3900 . ? 
C17 H17 0.9300 . ? 
C18 C19 1.3900 . ? 
C18 H18 0.9300 . ? 
C19 H19 0.9300 . ? 
C20 C21 1.3900 . ? 
C20 C25 1.3900 . ? 
C21 C22 1.3900 . ? 
C21 H21 0.9300 . ? 
C22 C23 1.3900 . ? 
C22 H22 0.9300 . ? 
C23 C24 1.3900 . ? 
C23 H23 0.9300 . ? 
C24 C25 1.3900 . ? 
C24 H24 0.9300 . ? 
C25 H25 0.9300 . ? 
C26 C27 1.3900 . ? 
C26 C31 1.3900 . ? 
C27 C28 1.3900 . ? 
C27 H27 0.9300 . ? 
C28 C29 1.3900 . ? 
C28 H28 0.9300 . ? 
C29 C30 1.3900 . ? 
C29 H29 0.9300 . ? 
C30 C31 1.3900 . ? 
C30 H30 0.9300 . ? 
C31 H31 0.9300 . ? 
C32 C33 1.3900 . ? 
C32 C37 1.3900 . ? 
C33 C34 1.3900 . ? 
C33 H33 0.9300 . ? 
C34 C35 1.3900 . ? 
C34 H34 0.9300 . ? 
C35 C36 1.3900 . ? 
C35 H35 0.9300 . ? 
C36 C37 1.3900 . ? 
C36 H36 0.9300 . ? 
C37 H37 0.9300 . ? 
C38 C39 1.3900 . ? 
C38 C43 1.3900 . ? 
C39 C40 1.3900 . ? 
C39 H39 0.9300 . ? 
C40 C41 1.3900 . ? 
C40 H40 0.9300 . ? 
C41 C42 1.3900 . ? 
C41 H41 0.9300 . ? 
C42 C43 1.3900 . ? 
C42 H42 0.9300 . ? 
C43 H43 0.9300 . ? 
C44 C45 1.3900 . ? 
C44 C49 1.3900 . ? 
C45 C46 1.3900 . ? 
C45 H45 0.9300 . ? 
C46 C47 1.3900 . ? 
C46 H46 0.9300 . ? 
C47 C48 1.3900 . ? 
C47 H47 0.9300 . ? 
C48 C49 1.3900 . ? 
C48 H48 0.9300 . ? 
C49 H49 0.9300 . ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
P1 Au1 Co2 153.4(2) . . ? 
P1 Au1 Co1 138.5(2) . . ? 
Co2 Au1 Co1 63.56(13) . . ? 
P1 Au1 Au2 137.5(3) . . ? 
Co2 Au1 Au2 62.48(11) . . ? 
Co1 Au1 Au2 56.72(10) . . ? 
P2 Au2 Co1 143.1(3) . . ? 
P2 Au2 Co3 130.2(3) . . ? 
Co1 Au2 Co3 66.70(15) . . ? 
P2 Au2 Au1 123.5(2) . . ? 
Co1 Au2 Au1 60.28(10) . . ? 
Co3 Au2 Au1 105.90(12) . . ? 
P2 Au2 Co2 153.9(3) . . ? 
Co1 Au2 Co2 62.17(13) . . ? 
Co3 Au2 Co2 55.71(14) . . ? 
Au1 Au2 Co2 55.30(10) . . ? 
C1 Co1 C2 84.4(17) . . ? 
C1 Co1 C3 95.4(15) . . ? 
C2 Co1 C3 93.8(18) . . ? 
C1 Co1 C 164.6(15) . . ? 
C2 Co1 C 97.2(17) . . ? 
C3 Co1 C 99.7(15) . . ? 
C1 Co1 Co5 146.9(10) . . ? 
C2 Co1 Co5 101.3(14) . . ? 
C3 Co1 Co5 51.9(11) . . ? 
C Co1 Co5 47.9(10) . . ? 
C1 Co1 Co4 133.7(10) . . ? 
C2 Co1 Co4 50.6(14) . . ? 
C3 Co1 Co4 97.9(11) . . ? 
C Co1 Co4 46.6(10) . . ? 
Co5 Co1 Co4 65.8(2) . . ? 
C1 Co1 Au2 80.8(10) . . ? 
C2 Co1 Au2 120.5(15) . . ? 
C3 Co1 Au2 144.6(11) . . ? 
C Co1 Au2 85.3(10) . . ? 
Co5 Co1 Au2 121.3(2) . . ? 
Co4 Co1 Au2 110.1(2) . . ? 
C1 Co1 Au1 84.2(9) . . ? 
C2 Co1 Au1 167.3(14) . . ? 
C3 Co1 Au1 81.6(10) . . ? 
C Co1 Au1 95.3(10) . . ? 
Co5 Co1 Au1 85.22(17) . . ? 
Co4 Co1 Au1 141.5(2) . . ? 
Au2 Co1 Au1 63.00(10) . . ? 
C1 Co1 Co2 134.1(10) . . ? 
C2 Co1 Co2 136.7(14) . . ? 
C3 Co1 Co2 99.9(11) . . ? 
C Co1 Co2 40.2(10) . . ? 
Co5 Co1 Co2 59.21(17) . . ? 
Co4 Co1 Co2 86.6(2) . . ? 
Au2 Co1 Co2 62.06(13) . . ? 
Au1 Co1 Co2 56.01(12) . . ? 
C1 Co1 Co3 127.7(10) . . ? 
C2 Co1 Co3 89.4(15) . . ? 
C3 Co1 Co3 136.9(11) . . ? 
C Co1 Co3 37.4(10) . . ? 
Co5 Co1 Co3 85.3(2) . . ? 
Co4 Co1 Co3 53.10(18) . . ? 
Au2 Co1 Co3 58.39(13) . . ? 
Au1 Co1 Co3 102.08(16) . . ? 
Co2 Co1 Co3 53.39(15) . . ? 
C5 Co2 C4 97(2) . . ? 
C5 Co2 C 135.4(19) . . ? 
C4 Co2 C 123.8(17) . . ? 
C5 Co2 Co6 110.5(15) . . ? 
C4 Co2 Co6 107.2(13) . . ? 
C Co2 Co6 44.7(11) . . ? 
C5 Co2 Co3 163.7(16) . . ? 
C4 Co2 Co3 78.9(13) . . ? 
C Co2 Co3 45.0(11) . . ? 
Co6 Co2 Co3 57.12(18) . . ? 
C5 Co2 Au1 79.7(16) . . ? 
C4 Co2 Au1 106.2(13) . . ? 
C Co2 Au1 103.0(11) . . ? 
Co6 Co2 Au1 143.5(2) . . ? 
Co3 Co2 Au1 116.6(2) . . ? 
C5 Co2 Co5 92.3(16) . . ? 
C4 Co2 Co5 166.9(13) . . ? 
C Co2 Co5 44.9(11) . . ? 
Co6 Co2 Co5 60.55(19) . . ? 
Co3 Co2 Co5 89.9(2) . . ? 
Au1 Co2 Co5 84.69(17) . . ? 
C5 Co2 Au2 132.9(15) . . ? 
C4 Co2 Au2 70.8(13) . . ? 
C Co2 Au2 82.4(11) . . ? 
Co6 Co2 Au2 116.60(19) . . ? 
Co3 Co2 Au2 60.72(15) . . ? 
Au1 Co2 Au2 62.22(11) . . ? 
Co5 Co2 Au2 109.48(18) . . ? 
C5 Co2 Co1 127.3(16) . . ? 
C4 Co2 Co1 125.2(13) . . ? 
C Co2 Co1 43.6(11) . . ? 
Co6 Co2 Co1 88.00(19) . . ? 
Co3 Co2 Co1 66.05(17) . . ? 
Au1 Co2 Co1 60.43(13) . . ? 
Co5 Co2 Co1 53.72(16) . . ? 
Au2 Co2 Co1 55.78(12) . . ? 
C7 Co3 C6 99(2) . . ? 
C7 Co3 C 97.7(19) . . ? 
C6 Co3 C 161.5(17) . . ? 
C7 Co3 C8 98(2) . . ? 
C6 Co3 C8 92(2) . . ? 
C Co3 C8 93.7(18) . . ? 
C7 Co3 Co4 50.8(16) . . ? 
C6 Co3 Co4 149.7(14) . . ? 
C Co3 Co4 47.1(10) . . ? 
C8 Co3 Co4 95.8(15) . . ? 
C7 Co3 Co6 100.5(15) . . ? 
C6 Co3 Co6 135.9(14) . . ? 
C Co3 Co6 47.1(11) . . ? 
C8 Co3 Co6 46.6(15) . . ? 
Co4 Co3 Co6 64.0(2) . . ? 
C7 Co3 Co2 141.9(16) . . ? 
C6 Co3 Co2 117.4(14) . . ? 
C Co3 Co2 44.7(10) . . ? 
C8 Co3 Co2 91.7(15) . . ? 
Co4 Co3 Co2 91.8(2) . . ? 
Co6 Co3 Co2 61.41(19) . . ? 
C7 Co3 Au2 115.2(15) . . ? 
C6 Co3 Au2 81.3(13) . . ? 
C Co3 Au2 84.4(11) . . ? 
C8 Co3 Au2 146.4(14) . . ? 
Co4 Co3 Au2 106.8(2) . . ? 
Co6 Co3 Au2 123.5(2) . . ? 
Co2 Co3 Au2 63.57(15) . . ? 
C7 Co3 Co1 86.9(16) . . ? 
C6 Co3 Co1 133.1(14) . . ? 
C Co3 Co1 40.2(11) . . ? 
C8 Co3 Co1 133.7(15) . . ? 
Co4 Co3 Co1 53.18(17) . . ? 
Co6 Co3 Co1 87.1(2) . . ? 
Co2 Co3 Co1 60.56(16) . . ? 
Au2 Co3 Co1 54.92(13) . . ? 
C9 Co4 C 156.3(17) . . ? 
C9 Co4 C2 99.2(19) . . ? 
C Co4 C2 101.1(18) . . ? 
C9 Co4 C7 96.1(19) . . ? 
C Co4 C7 94.4(18) . . ? 
C2 Co4 C7 95(2) . . ? 
C9 Co4 Co3 136.4(13) . . ? 
C Co4 Co3 48.0(11) . . ? 
C2 Co4 Co3 104.8(14) . . ? 
C7 Co4 Co3 46.5(15) . . ? 
C9 Co4 Co1 145.7(13) . . ? 
C Co4 Co1 51.7(11) . . ? 
C2 Co4 Co1 49.5(14) . . ? 
C7 Co4 Co1 99.9(14) . . ? 
Co3 Co4 Co1 73.7(2) . . ? 
C9 Co4 Co6 114.0(13) . . ? 
C Co4 Co6 44.1(11) . . ? 
C2 Co4 Co6 144.9(14) . . ? 
C7 Co4 Co6 92.7(15) . . ? 
Co3 Co4 Co6 58.37(19) . . ? 
Co1 Co4 Co6 95.4(2) . . ? 
C9 Co4 Co5 123.0(13) . . ? 
C Co4 Co5 43.7(11) . . ? 
C2 Co4 Co5 93.5(14) . . ? 
C7 Co4 Co5 138.0(15) . . ? 
Co3 Co4 Co5 91.6(2) . . ? 
Co1 Co4 Co5 57.10(18) . . ? 
Co6 Co4 Co5 59.58(19) . . ? 
C10 Co5 C11 100(3) . . ? 
C10 Co5 C 113(2) . . ? 
C11 Co5 C 136(2) . . ? 
C10 Co5 C3 100(2) . . ? 
C11 Co5 C3 100(2) . . ? 
C Co5 C3 102.6(15) . . ? 
C10 Co5 Co1 119(2) . . ? 
C11 Co5 Co1 133.1(17) . . ? 
C Co5 Co1 51.5(11) . . ? 
C3 Co5 Co1 51.2(11) . . ? 
C10 Co5 Co2 148(2) . . ? 
C11 Co5 Co2 93.7(17) . . ? 
C Co5 Co2 44.0(10) . . ? 
C3 Co5 Co2 105.8(11) . . ? 
Co1 Co5 Co2 67.07(17) . . ? 
C10 Co5 Co6 89(2) . . ? 
C11 Co5 Co6 111.5(18) . . ? 
C Co5 Co6 43.8(11) . . ? 
C3 Co5 Co6 145.2(11) . . ? 
Co1 Co5 Co6 95.1(2) . . ? 
Co2 Co5 Co6 59.11(18) . . ? 
C10 Co5 Co4 75(2) . . ? 
C11 Co5 Co4 168.6(17) . . ? 
C Co5 Co4 42.4(10) . . ? 
C3 Co5 Co4 90.9(11) . . ? 
Co1 Co5 Co4 57.09(18) . . ? 
Co2 Co5 Co4 86.4(2) . . ? 
Co6 Co5 Co4 59.08(19) . . ? 
C13 Co6 C12 102(2) . . ? 
C13 Co6 C8 94(2) . . ? 
C12 Co6 C8 100(2) . . ? 
C13 Co6 C 130(2) . . ? 
C12 Co6 C 121.2(16) . . ? 
C8 Co6 C 101.1(19) . . ? 
C13 Co6 Co3 124.6(19) . . ? 
C12 Co6 Co3 124.9(11) . . ? 
C8 Co6 Co3 53.6(16) . . ? 
C Co6 Co3 47.5(11) . . ? 
C13 Co6 Co2 169(2) . . ? 
C12 Co6 Co2 78.7(12) . . ? 
C8 Co6 Co2 96.6(16) . . ? 
C Co6 Co2 44.8(11) . . ? 
Co3 Co6 Co2 61.47(18) . . ? 
C13 Co6 Co4 88(2) . . ? 
C12 Co6 Co4 160.8(12) . . ? 
C8 Co6 Co4 95.8(17) . . ? 
C Co6 Co4 43.7(10) . . ? 
Co3 Co6 Co4 57.7(2) . . ? 
Co2 Co6 Co4 88.3(2) . . ? 
C13 Co6 Co5 109(2) . . ? 
C12 Co6 Co5 99.7(12) . . ? 
C8 Co6 Co5 145.9(16) . . ? 
C Co6 Co5 44.8(11) . . ? 
Co3 Co6 Co5 92.3(2) . . ? 
Co2 Co6 Co5 60.34(18) . . ? 
Co4 Co6 Co5 61.3(2) . . ? 
C26 P1 C20 106.0(12) . . ? 
C26 P1 C14 104.9(12) . . ? 
C20 P1 C14 103.7(11) . . ? 
C26 P1 Au1 116.2(10) . . ? 
C20 P1 Au1 110.3(9) . . ? 
C14 P1 Au1 114.7(8) . . ? 
C44 P2 C32 106.0(12) . . ? 
C44 P2 C38 104.6(12) . . ? 
C32 P2 C38 105.4(12) . . ? 
C44 P2 Au2 114.7(9) . . ? 
C32 P2 Au2 113.7(8) . . ? 
C38 P2 Au2 111.5(9) . . ? 
Co6 C Co4 92.2(15) . . ? 
Co6 C Co5 91.4(15) . . ? 
Co4 C Co5 93.9(16) . . ? 
Co6 C Co3 85.4(15) . . ? 
Co4 C Co3 84.9(15) . . ? 
Co5 C Co3 177(2) . . ? 
Co6 C Co2 90.6(15) . . ? 
Co4 C Co2 174(2) . . ? 
Co5 C Co2 91.1(16) . . ? 
Co3 C Co2 90.2(15) . . ? 
Co6 C Co1 170(2) . . ? 
Co4 C Co1 81.7(14) . . ? 
Co5 C Co1 80.6(14) . . ? 
Co3 C Co1 102.4(16) . . ? 
Co2 C Co1 96.2(15) . . ? 
O1 C1 Co1 174(3) . . ? 
O2 C2 Co1 145(4) . . ? 
O2 C2 Co4 135(4) . . ? 
Co1 C2 Co4 79.8(18) . . ? 
O3 C3 Co1 141(3) . . ? 
O3 C3 Co5 142(3) . . ? 
Co1 C3 Co5 76.8(14) . . ? 
O4 C4 Co2 169(4) . . ? 
O5 C5 Co2 172(4) . . ? 
O6 C6 Co3 178(4) . . ? 
O7 C7 Co3 147(4) . . ? 
O7 C7 Co4 130(4) . . ? 
Co3 C7 Co4 83(2) . . ? 
O8 C8 Co6 145(5) . . ? 
O8 C8 Co3 134(4) . . ? 
Co6 C8 Co3 80(2) . . ? 
O9 C9 Co4 174(4) . . ? 
O10 C10 Co5 172(6) . . ? 
O11 C11 Co5 171(5) . . ? 
O12 C12 Co6 166(3) . . ? 
O13 C13 Co6 176(5) . . ? 
C15 C14 C19 120.0 . . ? 
C15 C14 P1 120.8(12) . . ? 
C19 C14 P1 119.2(12) . . ? 
C14 C15 C16 120.0 . . ? 
C14 C15 H15 120.0 . . ? 
C16 C15 H15 120.0 . . ? 
C17 C16 C15 120.0 . . ? 
C17 C16 H16 120.0 . . ? 
C15 C16 H16 120.0 . . ? 
C18 C17 C16 120.0 . . ? 
C18 C17 H17 120.0 . . ? 
C16 C17 H17 120.0 . . ? 
C17 C18 C19 120.0 . . ? 
C17 C18 H18 120.0 . . ? 
C19 C18 H18 120.0 . . ? 
C18 C19 C14 120.0 . . ? 
C18 C19 H19 120.0 . . ? 
C14 C19 H19 120.0 . . ? 
C21 C20 C25 120.0 . . ? 
C21 C20 P1 121.0(15) . . ? 
C25 C20 P1 118.9(15) . . ? 
C22 C21 C20 120.0 . . ? 
C22 C21 H21 120.0 . . ? 
C20 C21 H21 120.0 . . ? 
C21 C22 C23 120.0 . . ? 
C21 C22 H22 120.0 . . ? 
C23 C22 H22 120.0 . . ? 
C24 C23 C22 120.0 . . ? 
C24 C23 H23 120.0 . . ? 
C22 C23 H23 120.0 . . ? 
C23 C24 C25 120.0 . . ? 
C23 C24 H24 120.0 . . ? 
C25 C24 H24 120.0 . . ? 
C24 C25 C20 120.0 . . ? 
C24 C25 H25 120.0 . . ? 
C20 C25 H25 120.0 . . ? 
C27 C26 C31 120.0 . . ? 
C27 C26 P1 118.2(16) . . ? 
C31 C26 P1 121.7(16) . . ? 
C28 C27 C26 120.0 . . ? 
C28 C27 H27 120.0 . . ? 
C26 C27 H27 120.0 . . ? 
C27 C28 C29 120.0 . . ? 
C27 C28 H28 120.0 . . ? 
C29 C28 H28 120.0 . . ? 
C30 C29 C28 120.0 . . ? 
C30 C29 H29 120.0 . . ? 
C28 C29 H29 120.0 . . ? 
C29 C30 C31 120.0 . . ? 
C29 C30 H30 120.0 . . ? 
C31 C30 H30 120.0 . . ? 
C30 C31 C26 120.0 . . ? 
C30 C31 H31 120.0 . . ? 
C26 C31 H31 120.0 . . ? 
C33 C32 C37 120.0 . . ? 
C33 C32 P2 120.8(13) . . ? 
C37 C32 P2 119.1(13) . . ? 
C34 C33 C32 120.0 . . ? 
C34 C33 H33 120.0 . . ? 
C32 C33 H33 120.0 . . ? 
C35 C34 C33 120.0 . . ? 
C35 C34 H34 120.0 . . ? 
C33 C34 H34 120.0 . . ? 
C34 C35 C36 120.0 . . ? 
C34 C35 H35 120.0 . . ? 
C36 C35 H35 120.0 . . ? 
C35 C36 C37 120.0 . . ? 
C35 C36 H36 120.0 . . ? 
C37 C36 H36 120.0 . . ? 
C36 C37 C32 120.0 . . ? 
C36 C37 H37 120.0 . . ? 
C32 C37 H37 120.0 . . ? 
C39 C38 C43 120.0 . . ? 
C39 C38 P2 120.6(15) . . ? 
C43 C38 P2 119.2(15) . . ? 
C38 C39 C40 120.0 . . ? 
C38 C39 H39 120.0 . . ? 
C40 C39 H39 120.0 . . ? 
C41 C40 C39 120.0 . . ? 
C41 C40 H40 120.0 . . ? 
C39 C40 H40 120.0 . . ? 
C42 C41 C40 120.0 . . ? 
C42 C41 H41 120.0 . . ? 
C40 C41 H41 120.0 . . ? 
C43 C42 C41 120.0 . . ? 
C43 C42 H42 120.0 . . ? 
C41 C42 H42 120.0 . . ? 
C42 C43 C38 120.0 . . ? 
C42 C43 H43 120.0 . . ? 
C38 C43 H43 120.0 . . ? 
C45 C44 C49 120.0 . . ? 
C45 C44 P2 116.4(15) . . ? 
C49 C44 P2 123.5(15) . . ? 
C46 C45 C44 120.0 . . ? 
C46 C45 H45 120.0 . . ? 
C44 C45 H45 120.0 . . ? 
C45 C46 C47 120.0 . . ? 
C45 C46 H46 120.0 . . ? 
C47 C46 H46 120.0 . . ? 
C48 C47 C46 120.0 . . ? 
C48 C47 H47 120.0 . . ? 
C46 C47 H47 120.0 . . ? 
C47 C48 C49 120.0 . . ? 
C47 C48 H48 120.0 . . ? 
C49 C48 H48 120.0 . . ? 
C48 C49 C44 120.0 . . ? 
C48 C49 H49 120.0 . . ? 
C44 C49 H49 120.0 . . ? 
 
_diffrn_measured_fraction_theta_max    0.991 
_diffrn_reflns_theta_full              22.00 
_diffrn_measured_fraction_theta_full   0.991 
_refine_diff_density_max    5.754 
_refine_diff_density_min   -5.608 
_refine_diff_density_rms    0.517 

#===END


data_msdc2

_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C40 H35 Au Co6 N O13 P'
_chemical_formula_weight          1319.21

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'
 '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'

_symmetry_cell_setting            ?
_symmetry_space_group_name_H-M    ?

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                    9.630(6)
_cell_length_b                    22.128(7)
_cell_length_c                    21.598(8)
_cell_angle_alpha                 90.00
_cell_angle_beta                  95.44(3)
_cell_angle_gamma                 90.00
_cell_volume                      4582(4)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.912
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              2568
_exptl_absorpt_coefficient_mu     5.404
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?

_exptl_special_details
;
 ?
;

_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71069
_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             13689
_diffrn_reflns_av_R_equivalents   0.0749
_diffrn_reflns_av_sigmaI/netI     0.1888
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_h_max        13
_diffrn_reflns_limit_k_min        0
_diffrn_reflns_limit_k_max        31
_diffrn_reflns_limit_l_min        0
_diffrn_reflns_limit_l_max        30
_diffrn_reflns_theta_min          2.07
_diffrn_reflns_theta_max          29.97
_reflns_number_total              13297
_reflns_number_gt                 5305
_reflns_threshold_expression      >2sigma(I)

_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?

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

_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme
 'calc w=1/[\s^2^(Fo^2^)+(0.0607P)^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     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_extinction_expression
'Fc'
_refine_ls_number_reflns          13297
_refine_ls_number_parameters      560
_refine_ls_number_restraints      129
_refine_ls_R_factor_all           0.1933
_refine_ls_R_factor_gt            0.0492
_refine_ls_wR_factor_ref          0.1400
_refine_ls_wR_factor_gt           0.1030
_refine_ls_goodness_of_fit_ref    0.840
_refine_ls_restrained_S_all       0.838
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Au Au 0.35716(3) 0.404931(15) 0.208346(16) 0.05798(12) Uani 1 d . . .
Co1 Co 0.30539(10) 0.39148(4) 0.32825(5) 0.0515(3) Uani 1 d . . .
Co2 Co 0.55976(11) 0.43549(5) 0.30826(5) 0.0536(3) Uani 1 d . . .
Co3 Co 0.49681(10) 0.31545(4) 0.26777(5) 0.0496(3) Uani 1 d . . .
Co4 Co 0.49515(11) 0.40597(5) 0.41453(5) 0.0617(3) Uani 1 d . . .
Co5 Co 0.67703(10) 0.34265(5) 0.35373(5) 0.0577(3) Uani 1 d . . .
Co6 Co 0.43204(11) 0.29405(5) 0.37614(6) 0.0594(3) Uani 1 d . . .
O1 O 0.2194(8) 0.4360(4) 0.4531(4) 0.108(3) Uani 1 d D . .
C1 C 0.3092(10) 0.4213(4) 0.4238(5) 0.077(3) Uani 1 d D . .
O2 O 0.6013(9) 0.5282(4) 0.4039(4) 0.134(3) Uani 1 d D . .
C2 C 0.5639(10) 0.4810(4) 0.3840(5) 0.089(3) Uani 1 d D . .
O3 O 0.8614(8) 0.4348(3) 0.3063(4) 0.108(3) Uani 1 d D . .
C3 C 0.7511(9) 0.4158(4) 0.3175(5) 0.073(3) Uani 1 d D . .
O4 O 0.7762(7) 0.2647(3) 0.2592(4) 0.094(2) Uani 1 d D . .
C4 C 0.6973(9) 0.2940(4) 0.2822(4) 0.067(3) Uani 1 d D . .
O5 O 0.4042(8) 0.1925(3) 0.2869(4) 0.113(3) Uani 1 d D . .
C5 C 0.4304(9) 0.2432(4) 0.3015(5) 0.080(3) Uani 1 d D . .
O6 O 0.0532(8) 0.3171(4) 0.3157(4) 0.116(3) Uani 1 d D . .
C6 C 0.1543(9) 0.3459(4) 0.3228(5) 0.071(3) Uani 1 d D . .
O7 O 0.1708(8) 0.5051(4) 0.2890(4) 0.114(3) Uani 1 d D . .
C7 C 0.2289(10) 0.4595(4) 0.3006(5) 0.082(3) Uani 1 d D . .
O8 O 0.6176(9) 0.5352(4) 0.2284(4) 0.135(3) Uani 1 d D . .
C8 C 0.5815(11) 0.4951(5) 0.2584(5) 0.092(3) Uani 1 d D . .
C9 C 0.4857(10) 0.2956(4) 0.1917(5) 0.078(3) Uani 1 d D . .
O9 O 0.4935(8) 0.2786(3) 0.1404(4) 0.098(2) Uani 1 d D . .
O10 O 0.6377(9) 0.4115(5) 0.5388(4) 0.136(3) Uani 1 d D . .
C10 C 0.5735(11) 0.4080(5) 0.4910(5) 0.094(3) Uani 1 d D . .
O11 O 0.9202(8) 0.3144(4) 0.4382(4) 0.122(3) Uani 1 d D . .
C11 C 0.8259(10) 0.3273(5) 0.4035(5) 0.084(3) Uani 1 d D . .
O12 O 0.6321(9) 0.2498(4) 0.4738(4) 0.131(3) Uani 1 d D . .
C12 C 0.5624(10) 0.2708(4) 0.4324(5) 0.083(3) Uani 1 d D . .
O13 O 0.2044(8) 0.2317(4) 0.4288(4) 0.126(3) Uani 1 d D . .
C13 C 0.2961(10) 0.2565(4) 0.4088(5) 0.082(3) Uani 1 d D . .
C14 C 0.4891(7) 0.3647(3) 0.3370(4) 0.0476(19) Uani 1 d . . .
P P 0.2243(2) 0.44521(9) 0.12362(10) 0.0506(5) Uani 1 d . . .
C15 C 0.1746(8) 0.5239(3) 0.1331(4) 0.052(2) Uani 1 d . . .
C16 C 0.2690(9) 0.5636(4) 0.1589(5) 0.075(3) Uani 1 d . . .
H16 H 0.3581 0.5500 0.1724 0.221(13) Uiso 1 calc R . .
C17 C 0.2375(10) 0.6238(4) 0.1658(5) 0.083(3) Uani 1 d . . .
H17 H 0.3049 0.6505 0.1833 0.221(13) Uiso 1 calc R . .
C18 C 0.1051(12) 0.6440(4) 0.1467(5) 0.089(3) Uani 1 d . . .
H18 H 0.0826 0.6847 0.1500 0.221(13) Uiso 1 calc R . .
C19 C 0.0127(11) 0.6057(5) 0.1241(5) 0.091(3) Uani 1 d . . .
H19 H -0.0772 0.6194 0.1124 0.221(13) Uiso 1 calc R . .
C20 C 0.0419(9) 0.5444(4) 0.1164(5) 0.087(3) Uani 1 d . . .
H20 H -0.0274 0.5180 0.1003 0.221(13) Uiso 1 calc R . .
C21 C 0.0585(8) 0.4047(3) 0.1088(4) 0.0512(19) Uani 1 d . . .
C22 C -0.0294(10) 0.4025(4) 0.1554(5) 0.080(3) Uani 1 d . . .
H22 H -0.0035 0.4206 0.1937 0.221(13) Uiso 1 calc R . .
C23 C -0.1595(9) 0.3726(5) 0.1449(5) 0.078(3) Uani 1 d . . .
H23 H -0.2200 0.3706 0.1759 0.221(13) Uiso 1 calc R . .
C24 C -0.1937(11) 0.3471(4) 0.0885(6) 0.093(4) Uani 1 d . . .
H24 H -0.2775 0.3262 0.0814 0.221(13) Uiso 1 calc R . .
C25 C -0.1108(10) 0.3511(5) 0.0433(5) 0.085(3) Uani 1 d . . .
H25 H -0.1398 0.3346 0.0047 0.221(13) Uiso 1 calc R . .
C26 C 0.0215(9) 0.3800(4) 0.0522(4) 0.071(3) Uani 1 d . . .
H26 H 0.0802 0.3818 0.0205 0.221(13) Uiso 1 calc R . .
C27 C 0.2977(8) 0.4439(4) 0.0524(4) 0.061(2) Uani 1 d . . .
C28 C 0.2725(9) 0.4862(4) 0.0043(4) 0.062(2) Uani 1 d . . .
H28 H 0.2174 0.5195 0.0116 0.221(13) Uiso 1 calc R . .
C29 C 0.3226(10) 0.4821(5) -0.0519(5) 0.083(3) Uani 1 d . . .
H29 H 0.3008 0.5118 -0.0817 0.221(13) Uiso 1 calc R . .
C30 C 0.4071(11) 0.4335(6) -0.0653(5) 0.085(3) Uani 1 d . . .
H30 H 0.4421 0.4310 -0.1039 0.221(13) Uiso 1 calc R . .
C31 C 0.4388(13) 0.3892(5) -0.0216(7) 0.108(4) Uani 1 d . . .
H31 H 0.4911 0.3556 -0.0306 0.221(13) Uiso 1 calc R . .
C32 C 0.3905(10) 0.3962(4) 0.0362(6) 0.090(3) Uani 1 d . . .
H32 H 0.4196 0.3682 0.0668 0.221(13) Uiso 1 calc R . .
N N 1.0529(7) 0.3476(3) 0.6275(3) 0.069(2) Uani 1 d D . .
C33 C 0.9079(11) 0.3276(6) 0.6113(7) 0.153(4) Uani 1 d DU . .
H33 H 0.9091 0.2840 0.6066 0.221(13) Uiso 1 calc R . .
H33A H 0.8767 0.3445 0.5709 0.221(13) Uiso 1 calc R . .
C34 C 0.8014(12) 0.3426(6) 0.6543(7) 0.153(4) Uani 1 d DU . .
H34 H 0.7124 0.3272 0.6377 0.221(13) Uiso 1 calc R . .
H34A H 0.7958 0.3856 0.6587 0.221(13) Uiso 1 calc R . .
H34B H 0.8272 0.3246 0.6942 0.221(13) Uiso 1 calc R . .
C35 C 1.1395(12) 0.3238(6) 0.5791(6) 0.158(4) Uani 1 d DU . .
H35 H 1.1302 0.2802 0.5791 0.221(13) Uiso 1 calc R . .
H35A H 1.0975 0.3380 0.5392 0.221(13) Uiso 1 calc R . .
C36 C 1.2838(12) 0.3370(6) 0.5818(7) 0.158(4) Uani 1 d DU . .
H36 H 1.3220 0.3196 0.5465 0.221(13) Uiso 1 calc R . .
H36A H 1.3303 0.3204 0.6193 0.221(13) Uiso 1 calc R . .
H36B H 1.2969 0.3800 0.5816 0.221(13) Uiso 1 calc R . .
C37 C 1.1079(14) 0.3224(6) 0.6882(6) 0.180(5) Uani 1 d DU . .
H37 H 1.0492 0.3348 0.7201 0.221(13) Uiso 1 calc R . .
H37A H 1.2014 0.3375 0.6996 0.221(13) Uiso 1 calc R . .
C38 C 1.1104(15) 0.2491(6) 0.6835(8) 0.180(5) Uani 1 d DU . .
H38 H 1.1459 0.2325 0.7229 0.221(13) Uiso 1 calc R . .
H38A H 1.1694 0.2372 0.6522 0.221(13) Uiso 1 calc R . .
H38B H 1.0175 0.2345 0.6725 0.221(13) Uiso 1 calc R . .
C39 C 1.0641(13) 0.4136(4) 0.6289(6) 0.143(4) Uani 1 d DU . .
H39 H 1.0177 0.4273 0.6644 0.221(13) Uiso 1 calc R . .
H39A H 1.1623 0.4232 0.6379 0.221(13) Uiso 1 calc R . .
C40 C 1.0125(14) 0.4506(5) 0.5767(7) 0.143(4) Uani 1 d DU . .
H40 H 1.0319 0.4924 0.5861 0.221(13) Uiso 1 calc R . .
H40A H 0.9136 0.4450 0.5684 0.221(13) Uiso 1 calc R . .
H40B H 1.0577 0.4391 0.5407 0.221(13) Uiso 1 calc R . .

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
Au 0.0592(2) 0.04672(18) 0.0661(2) 0.00561(18) -0.00389(15) 0.00851(16)
Co1 0.0423(6) 0.0442(6) 0.0678(7) 0.0041(5) 0.0038(5) 0.0068(5)
Co2 0.0525(6) 0.0357(6) 0.0725(8) 0.0007(5) 0.0057(5) -0.0055(5)
Co3 0.0441(6) 0.0347(5) 0.0684(7) -0.0028(5) -0.0040(5) 0.0030(4)
Co4 0.0548(6) 0.0643(7) 0.0651(7) -0.0086(6) 0.0013(5) 0.0010(6)
Co5 0.0419(6) 0.0509(6) 0.0780(8) -0.0055(6) -0.0072(5) 0.0062(5)
Co6 0.0449(6) 0.0444(6) 0.0883(9) 0.0182(6) 0.0041(6) -0.0017(5)
O1 0.081(5) 0.117(6) 0.132(7) 0.003(5) 0.033(5) 0.017(5)
C1 0.075(7) 0.061(6) 0.090(8) 0.013(5) -0.013(6) -0.002(5)
O2 0.152(8) 0.092(6) 0.168(8) -0.034(6) 0.066(6) -0.039(6)
C2 0.077(7) 0.062(7) 0.129(9) -0.015(6) 0.014(6) -0.009(5)
O3 0.083(5) 0.079(5) 0.165(8) 0.001(5) 0.037(5) -0.017(4)
C3 0.062(6) 0.063(6) 0.094(7) 0.001(5) 0.008(5) -0.010(5)
O4 0.072(4) 0.069(5) 0.142(7) -0.011(4) 0.020(4) 0.012(4)
C4 0.065(6) 0.059(6) 0.073(6) 0.012(5) -0.014(5) -0.009(5)
O5 0.112(6) 0.065(5) 0.162(8) 0.004(5) 0.013(5) -0.016(4)
C5 0.062(6) 0.053(6) 0.121(9) 0.014(6) -0.012(6) -0.008(5)
O6 0.077(5) 0.102(6) 0.172(8) -0.002(6) 0.023(5) -0.013(5)
C6 0.053(5) 0.061(6) 0.099(7) 0.000(5) 0.005(5) -0.001(5)
O7 0.115(6) 0.085(6) 0.145(7) 0.011(5) 0.027(5) 0.027(5)
C7 0.080(7) 0.064(6) 0.100(8) 0.012(6) 0.001(6) 0.013(5)
O8 0.135(7) 0.112(7) 0.155(8) 0.041(6) -0.011(6) -0.029(6)
C8 0.095(8) 0.067(7) 0.108(9) 0.024(6) -0.022(7) -0.018(6)
C9 0.067(6) 0.044(5) 0.119(9) 0.003(6) -0.013(6) 0.001(5)
O9 0.106(6) 0.082(5) 0.107(6) -0.006(5) 0.019(5) 0.005(4)
O10 0.110(7) 0.156(9) 0.138(8) -0.013(7) -0.007(6) 0.003(6)
C10 0.073(7) 0.101(9) 0.106(9) -0.006(7) -0.005(6) 0.011(6)
O11 0.086(6) 0.144(8) 0.134(7) 0.004(6) -0.008(5) 0.008(5)
C11 0.064(6) 0.092(8) 0.091(8) 0.009(6) -0.014(6) 0.000(5)
O12 0.111(6) 0.124(7) 0.152(8) 0.068(6) -0.018(6) -0.019(5)
C12 0.074(7) 0.062(6) 0.112(9) 0.023(6) 0.005(6) -0.011(5)
O13 0.086(6) 0.110(7) 0.187(9) 0.029(6) 0.040(6) -0.020(5)
C13 0.075(7) 0.068(7) 0.103(8) 0.013(6) 0.000(6) -0.004(5)
C14 0.034(4) 0.034(4) 0.073(5) 0.003(4) -0.007(4) 0.008(3)
P 0.0516(12) 0.0410(11) 0.0582(13) 0.0051(10) 0.0003(10) -0.0009(9)
C15 0.047(4) 0.047(5) 0.061(5) 0.004(4) -0.004(4) 0.001(4)
C16 0.059(5) 0.051(5) 0.116(8) -0.008(5) 0.006(5) 0.007(4)
C17 0.078(7) 0.040(5) 0.133(9) -0.026(6) 0.013(6) -0.007(5)
C18 0.100(8) 0.050(6) 0.115(9) -0.012(6) -0.001(7) 0.012(6)
C19 0.087(7) 0.068(7) 0.113(9) -0.019(6) -0.007(6) 0.030(6)
C20 0.063(6) 0.047(5) 0.145(10) -0.009(6) -0.025(6) 0.012(4)
C21 0.053(4) 0.040(4) 0.061(5) 0.011(4) 0.008(4) 0.000(4)
C22 0.073(6) 0.084(7) 0.083(7) 0.020(6) -0.002(5) -0.005(6)
C23 0.051(5) 0.082(7) 0.097(8) 0.023(6) -0.011(5) -0.015(5)
C24 0.081(7) 0.054(6) 0.140(11) 0.025(7) -0.013(7) -0.025(5)
C25 0.080(7) 0.084(7) 0.092(8) 0.003(6) 0.015(6) -0.045(6)
C26 0.075(6) 0.057(5) 0.078(7) 0.011(5) -0.002(5) -0.016(5)
C27 0.054(5) 0.047(5) 0.081(6) 0.006(4) -0.001(4) -0.018(4)
C28 0.054(5) 0.070(6) 0.060(6) 0.010(5) -0.006(4) -0.004(4)
C29 0.065(6) 0.074(7) 0.107(9) 0.015(6) -0.009(6) -0.005(5)
C30 0.078(7) 0.096(8) 0.084(8) -0.001(7) 0.017(6) -0.023(7)
C31 0.131(11) 0.066(8) 0.132(11) -0.022(7) 0.035(9) 0.005(7)
C32 0.080(7) 0.058(6) 0.134(10) -0.010(6) 0.026(7) 0.009(5)
N 0.089(6) 0.041(4) 0.077(5) 0.008(4) 0.005(4) 0.002(4)
C33 0.131(10) 0.106(8) 0.222(13) 0.050(8) 0.019(8) 0.000(7)
C34 0.131(10) 0.106(8) 0.222(13) 0.051(8) 0.020(8) 0.000(7)
C35 0.108(7) 0.121(8) 0.245(12) 0.047(8) 0.022(9) 0.017(7)
C36 0.108(7) 0.121(8) 0.245(12) 0.047(8) 0.022(9) 0.017(7)
C37 0.140(8) 0.113(8) 0.283(14) 0.093(9) 0.001(9) -0.008(7)
C38 0.140(8) 0.113(8) 0.283(14) 0.093(9) 0.001(9) -0.008(7)
C39 0.139(8) 0.092(7) 0.200(11) 0.048(6) 0.029(8) 0.007(6)
C40 0.139(8) 0.092(7) 0.200(11) 0.049(6) 0.029(8) 0.007(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
Au P 2.310(2) . ?
Au Co3 2.6551(12) . ?
Au Co1 2.6997(15) . ?
Au Co2 2.8499(16) . ?
Co1 C7 1.756(9) . ?
Co1 C6 1.765(9) . ?
Co1 C14 1.859(7) . ?
Co1 C1 2.163(11) . ?
Co1 Co4 2.5039(18) . ?
Co1 Co6 2.6395(16) . ?
Co1 Co2 2.708(2) . ?
Co1 Co3 2.8969(17) . ?
Co2 C8 1.728(10) . ?
Co2 C14 1.839(7) . ?
Co2 C3 1.885(9) . ?
Co2 C2 1.919(11) . ?
Co2 Co5 2.4999(16) . ?
Co2 Co4 2.5205(18) . ?
Co2 Co3 2.8439(16) . ?
Co3 C9 1.693(11) . ?
Co3 C14 1.857(8) . ?
Co3 C5 1.893(9) . ?
Co3 C4 1.984(9) . ?
Co3 Co5 2.4920(18) . ?
Co3 Co6 2.5236(19) . ?
Co4 C10 1.750(11) . ?
Co4 C1 1.852(10) . ?
Co4 C14 1.903(8) . ?
Co4 C2 1.928(10) . ?
Co4 Co6 2.6636(17) . ?
Co4 Co5 2.6817(18) . ?
Co5 C11 1.742(9) . ?
Co5 C14 1.876(7) . ?
Co5 C4 1.908(10) . ?
Co5 C3 1.961(9) . ?
Co5 Co6 2.678(2) . ?
Co6 C12 1.740(10) . ?
Co6 C13 1.755(10) . ?
Co6 C14 1.884(7) . ?
Co6 C5 1.965(10) . ?
O1 C1 1.166(9) . ?
O2 C2 1.173(9) . ?
O3 C3 1.189(8) . ?
O4 C4 1.147(9) . ?
O5 C5 1.186(9) . ?
O6 C6 1.162(8) . ?
O7 C7 1.168(9) . ?
O8 C8 1.172(9) . ?
C9 O9 1.181(9) . ?
O10 C10 1.155(9) . ?
O11 C11 1.157(8) . ?
O12 C12 1.162(9) . ?
O13 C13 1.157(9) . ?
P C27 1.753(9) . ?
P C15 1.823(8) . ?
P C21 1.832(8) . ?
C15 C16 1.346(11) . ?
C15 C20 1.371(10) . ?
C16 C17 1.378(12) . ?
C16 H16 0.9300 . ?
C17 C18 1.377(13) . ?
C17 H17 0.9300 . ?
C18 C19 1.292(13) . ?
C18 H18 0.9300 . ?
C19 C20 1.397(12) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C26 1.357(11) . ?
C21 C22 1.376(12) . ?
C22 C23 1.415(12) . ?
C22 H22 0.9300 . ?
C23 C24 1.355(14) . ?
C23 H23 0.9300 . ?
C24 C25 1.321(14) . ?
C24 H24 0.9300 . ?
C25 C26 1.421(12) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.402(11) . ?
C27 C32 1.448(12) . ?
C28 C29 1.351(13) . ?
C28 H28 0.9300 . ?
C29 C30 1.397(14) . ?
C29 H29 0.9300 . ?
C30 C31 1.375(15) . ?
C30 H30 0.9300 . ?
C31 C32 1.381(15) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
N C39 1.465(10) . ?
N C33 1.475(11) . ?
N C37 1.478(11) . ?
N C35 1.492(11) . ?
C33 C34 1.484(16) . ?
C33 H33 0.9700 . ?
C33 H33A 0.9700 . ?
C34 H34 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C35 C36 1.416(15) . ?
C35 H35 0.9700 . ?
C35 H35A 0.9700 . ?
C36 H36 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C37 C38 1.625(18) . ?
C37 H37 0.9700 . ?
C37 H37A 0.9700 . ?
C38 H38 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C39 C40 1.444(15) . ?
C39 H39 0.9700 . ?
C39 H39A 0.9700 . ?
C40 H40 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?

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
P Au Co3 152.60(6) . . ?
P Au Co1 131.58(7) . . ?
Co3 Au Co1 65.50(4) . . ?
P Au Co2 142.78(6) . . ?
Co3 Au Co2 62.09(4) . . ?
Co1 Au Co2 58.35(4) . . ?
C7 Co1 C6 98.7(4) . . ?
C7 Co1 C14 132.3(4) . . ?
C6 Co1 C14 126.5(4) . . ?
C7 Co1 C1 91.8(4) . . ?
C6 Co1 C1 100.2(4) . . ?
C14 Co1 C1 94.0(3) . . ?
C7 Co1 Co4 113.4(3) . . ?
C6 Co1 Co4 131.4(3) . . ?
C14 Co1 Co4 49.0(2) . . ?
C1 Co1 Co4 46.1(3) . . ?
C7 Co1 Co6 175.7(3) . . ?
C6 Co1 Co6 84.7(3) . . ?
C14 Co1 Co6 45.5(2) . . ?
C1 Co1 Co6 84.8(3) . . ?
Co4 Co1 Co6 62.31(5) . . ?
C7 Co1 Au 71.8(4) . . ?
C6 Co1 Au 103.0(3) . . ?
C14 Co1 Au 82.7(2) . . ?
C1 Co1 Au 153.3(3) . . ?
Co4 Co1 Au 120.78(6) . . ?
Co6 Co1 Au 110.21(5) . . ?
C7 Co1 Co2 89.7(3) . . ?
C6 Co1 Co2 161.3(3) . . ?
C14 Co1 Co2 42.6(2) . . ?
C1 Co1 Co2 96.2(3) . . ?
Co4 Co1 Co2 57.68(5) . . ?
Co6 Co1 Co2 87.98(5) . . ?
Au Co1 Co2 63.60(4) . . ?
C7 Co1 Co3 127.5(4) . . ?
C6 Co1 Co3 101.2(3) . . ?
C14 Co1 Co3 38.8(2) . . ?
C1 Co1 Co3 130.8(3) . . ?
Co4 Co1 Co3 87.66(6) . . ?
Co6 Co1 Co3 53.99(4) . . ?
Au Co1 Co3 56.51(4) . . ?
Co2 Co1 Co3 60.86(5) . . ?
C8 Co2 C14 158.6(4) . . ?
C8 Co2 C3 93.9(5) . . ?
C14 Co2 C3 99.0(3) . . ?
C8 Co2 C2 97.8(5) . . ?
C14 Co2 C2 97.9(4) . . ?
C3 Co2 C2 95.1(4) . . ?
C8 Co2 Co5 142.7(4) . . ?
C14 Co2 Co5 48.3(2) . . ?
C3 Co2 Co5 50.8(3) . . ?
C2 Co2 Co5 97.2(3) . . ?
C8 Co2 Co4 145.1(4) . . ?
C14 Co2 Co4 48.8(2) . . ?
C3 Co2 Co4 99.6(3) . . ?
C2 Co2 Co4 49.2(3) . . ?
Co5 Co2 Co4 64.57(5) . . ?
C8 Co2 Co1 122.6(3) . . ?
C14 Co2 Co1 43.2(2) . . ?
C3 Co2 Co1 142.1(3) . . ?
C2 Co2 Co1 89.9(3) . . ?
Co5 Co2 Co1 91.36(6) . . ?
Co4 Co2 Co1 57.08(5) . . ?
C8 Co2 Co3 123.8(4) . . ?
C14 Co2 Co3 39.9(2) . . ?
C3 Co2 Co3 89.7(3) . . ?
C2 Co2 Co3 137.7(3) . . ?
Co5 Co2 Co3 55.14(4) . . ?
Co4 Co2 Co3 88.52(5) . . ?
Co1 Co2 Co3 62.84(4) . . ?
C8 Co2 Au 79.9(3) . . ?
C14 Co2 Au 78.8(2) . . ?
C3 Co2 Au 128.1(3) . . ?
C2 Co2 Au 136.7(3) . . ?
Co5 Co2 Au 110.72(5) . . ?
Co4 Co2 Au 114.69(5) . . ?
Co1 Co2 Au 58.05(4) . . ?
Co3 Co2 Au 55.59(3) . . ?
C9 Co3 C14 158.3(4) . . ?
C9 Co3 C5 99.3(4) . . ?
C14 Co3 C5 98.4(4) . . ?
C9 Co3 C4 93.5(4) . . ?
C14 Co3 C4 97.3(3) . . ?
C5 Co3 C4 95.6(4) . . ?
C9 Co3 Co5 139.5(3) . . ?
C14 Co3 Co5 48.4(2) . . ?
C5 Co3 Co5 98.9(3) . . ?
C4 Co3 Co5 48.9(3) . . ?
C9 Co3 Co6 148.5(3) . . ?
C14 Co3 Co6 48.0(2) . . ?
C5 Co3 Co6 50.4(3) . . ?
C4 Co3 Co6 97.6(3) . . ?
Co5 Co3 Co6 64.55(5) . . ?
C9 Co3 Au 75.0(3) . . ?
C14 Co3 Au 84.0(2) . . ?
C5 Co3 Au 129.9(3) . . ?
C4 Co3 Au 134.0(3) . . ?
Co5 Co3 Au 117.71(5) . . ?
Co6 Co3 Au 115.46(5) . . ?
C9 Co3 Co2 122.1(3) . . ?
C14 Co3 Co2 39.5(2) . . ?
C5 Co3 Co2 137.8(3) . . ?
C4 Co3 Co2 89.9(3) . . ?
Co5 Co3 Co2 55.40(4) . . ?
Co6 Co3 Co2 87.38(5) . . ?
Au Co3 Co2 62.32(4) . . ?
C9 Co3 Co1 127.1(3) . . ?
C14 Co3 Co1 38.8(2) . . ?
C5 Co3 Co1 93.7(3) . . ?
C4 Co3 Co1 136.0(3) . . ?
Co5 Co3 Co1 87.23(6) . . ?
Co6 Co3 Co1 57.79(4) . . ?
Au Co3 Co1 57.99(4) . . ?
Co2 Co3 Co1 56.29(4) . . ?
C10 Co4 C1 103.2(5) . . ?
C10 Co4 C14 144.8(4) . . ?
C1 Co4 C14 103.5(4) . . ?
C10 Co4 C2 99.8(5) . . ?
C1 Co4 C2 104.2(4) . . ?
C14 Co4 C2 95.5(4) . . ?
C10 Co4 Co1 157.6(4) . . ?
C1 Co4 Co1 57.2(3) . . ?
C14 Co4 Co1 47.5(2) . . ?
C2 Co4 Co1 96.1(3) . . ?
C10 Co4 Co2 137.0(4) . . ?
C1 Co4 Co2 112.0(3) . . ?
C14 Co4 Co2 46.6(2) . . ?
C2 Co4 Co2 48.9(3) . . ?
Co1 Co4 Co2 65.24(5) . . ?
C10 Co4 Co6 112.5(4) . . ?
C1 Co4 Co6 90.6(3) . . ?
C14 Co4 Co6 45.0(2) . . ?
C2 Co4 Co6 140.4(3) . . ?
Co1 Co4 Co6 61.34(4) . . ?
Co2 Co4 Co6 91.50(5) . . ?
C10 Co4 Co5 103.4(4) . . ?
C1 Co4 Co5 146.3(3) . . ?
C14 Co4 Co5 44.4(2) . . ?
C2 Co4 Co5 91.2(3) . . ?
Co1 Co4 Co5 91.90(6) . . ?
Co2 Co4 Co5 57.34(5) . . ?
Co6 Co4 Co5 60.14(5) . . ?
C11 Co5 C14 153.2(4) . . ?
C11 Co5 C4 104.3(4) . . ?
C14 Co5 C4 99.3(4) . . ?
C11 Co5 C3 95.6(4) . . ?
C14 Co5 C3 95.1(3) . . ?
C4 Co5 C3 94.2(4) . . ?
C11 Co5 Co3 152.5(4) . . ?
C14 Co5 Co3 47.8(2) . . ?
C4 Co5 Co3 51.5(3) . . ?
C3 Co5 Co3 99.0(3) . . ?
C11 Co5 Co2 135.9(4) . . ?
C14 Co5 Co2 47.1(2) . . ?
C4 Co5 Co2 102.8(3) . . ?
C3 Co5 Co2 48.2(3) . . ?
Co3 Co5 Co2 69.46(5) . . ?
C11 Co5 Co6 119.9(4) . . ?
C14 Co5 Co6 44.7(2) . . ?
C4 Co5 Co6 94.6(3) . . ?
C3 Co5 Co6 139.8(3) . . ?
Co3 Co5 Co6 58.30(5) . . ?
Co2 Co5 Co6 91.61(5) . . ?
C11 Co5 Co4 109.7(4) . . ?
C14 Co5 Co4 45.2(2) . . ?
C4 Co5 Co4 144.4(3) . . ?
C3 Co5 Co4 92.5(3) . . ?
Co3 Co5 Co4 92.87(6) . . ?
Co2 Co5 Co4 58.09(5) . . ?
Co6 Co5 Co4 59.60(5) . . ?
C12 Co6 C13 95.5(4) . . ?
C12 Co6 C14 109.7(4) . . ?
C13 Co6 C14 146.5(4) . . ?
C12 Co6 C5 110.7(4) . . ?
C13 Co6 C5 96.4(4) . . ?
C14 Co6 C5 95.0(4) . . ?
C12 Co6 Co3 118.6(4) . . ?
C13 Co6 Co3 136.2(3) . . ?
C14 Co6 Co3 47.1(2) . . ?
C5 Co6 Co3 47.9(3) . . ?
C12 Co6 Co1 142.3(3) . . ?
C13 Co6 Co1 102.1(3) . . ?
C14 Co6 Co1 44.8(2) . . ?
C5 Co6 Co1 100.3(3) . . ?
Co3 Co6 Co1 68.22(5) . . ?
C12 Co6 Co4 85.9(3) . . ?
C13 Co6 Co4 118.2(4) . . ?
C14 Co6 Co4 45.6(2) . . ?
C5 Co6 Co4 140.5(3) . . ?
Co3 Co6 Co4 92.59(5) . . ?
Co1 Co6 Co4 56.35(5) . . ?
C12 Co6 Co5 69.9(3) . . ?
C13 Co6 Co5 165.2(3) . . ?
C14 Co6 Co5 44.4(2) . . ?
C5 Co6 Co5 91.2(3) . . ?
Co3 Co6 Co5 57.15(5) . . ?
Co1 Co6 Co5 89.05(5) . . ?
Co4 Co6 Co5 60.27(4) . . ?
O1 C1 Co4 152.1(9) . . ?
O1 C1 Co1 131.1(8) . . ?
Co4 C1 Co1 76.7(4) . . ?
O2 C2 Co2 139.6(10) . . ?
O2 C2 Co4 138.2(10) . . ?
Co2 C2 Co4 81.9(4) . . ?
O3 C3 Co2 141.2(8) . . ?
O3 C3 Co5 137.7(8) . . ?
Co2 C3 Co5 81.1(4) . . ?
O4 C4 Co5 142.4(8) . . ?
O4 C4 Co3 137.9(8) . . ?
Co5 C4 Co3 79.6(4) . . ?
O5 C5 Co3 140.2(10) . . ?
O5 C5 Co6 138.1(9) . . ?
Co3 C5 Co6 81.7(4) . . ?
O6 C6 Co1 176.0(9) . . ?
O7 C7 Co1 171.7(10) . . ?
O8 C8 Co2 169.5(10) . . ?
O9 C9 Co3 171.9(9) . . ?
O10 C10 Co4 172.7(11) . . ?
O11 C11 Co5 175.8(10) . . ?
O12 C12 Co6 168.8(9) . . ?
O13 C13 Co6 178.2(10) . . ?
Co2 C14 Co3 100.6(4) . . ?
Co2 C14 Co1 94.2(3) . . ?
Co3 C14 Co1 102.4(3) . . ?
Co2 C14 Co5 84.6(3) . . ?
Co3 C14 Co5 83.8(3) . . ?
Co1 C14 Co5 173.8(4) . . ?
Co2 C14 Co6 172.5(4) . . ?
Co3 C14 Co6 84.8(3) . . ?
Co1 C14 Co6 89.7(3) . . ?
Co5 C14 Co6 90.9(3) . . ?
Co2 C14 Co4 84.6(3) . . ?
Co3 C14 Co4 171.7(4) . . ?
Co1 C14 Co4 83.4(3) . . ?
Co5 C14 Co4 90.4(3) . . ?
Co6 C14 Co4 89.4(3) . . ?
C27 P C15 104.3(4) . . ?
C27 P C21 104.9(4) . . ?
C15 P C21 104.7(3) . . ?
C27 P Au 116.7(3) . . ?
C15 P Au 114.3(3) . . ?
C21 P Au 110.9(2) . . ?
C16 C15 C20 118.0(8) . . ?
C16 C15 P 119.7(6) . . ?
C20 C15 P 122.3(6) . . ?
C15 C16 C17 121.9(8) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
C18 C17 C16 119.3(9) . . ?
C18 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
C19 C18 C17 119.0(9) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C18 C19 C20 122.9(9) . . ?
C18 C19 H19 118.5 . . ?
C20 C19 H19 118.5 . . ?
C15 C20 C19 118.8(8) . . ?
C15 C20 H20 120.6 . . ?
C19 C20 H20 120.6 . . ?
C26 C21 C22 121.2(8) . . ?
C26 C21 P 120.3(7) . . ?
C22 C21 P 118.5(7) . . ?
C21 C22 C23 119.7(9) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 118.4(10) . . ?
C24 C23 H23 120.8 . . ?
C22 C23 H23 120.8 . . ?
C25 C24 C23 121.5(10) . . ?
C25 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
C24 C25 C26 121.9(10) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 H25 119.1 . . ?
C21 C26 C25 117.2(9) . . ?
C21 C26 H26 121.4 . . ?
C25 C26 H26 121.4 . . ?
C28 C27 C32 112.0(9) . . ?
C28 C27 P 125.7(7) . . ?
C32 C27 P 122.2(7) . . ?
C29 C28 C27 124.7(9) . . ?
C29 C28 H28 117.6 . . ?
C27 C28 H28 117.6 . . ?
C28 C29 C30 120.2(10) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C31 C30 C29 120.1(11) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 118.0(11) . . ?
C30 C31 H31 121.0 . . ?
C32 C31 H31 121.0 . . ?
C31 C32 C27 124.6(11) . . ?
C31 C32 H32 117.7 . . ?
C27 C32 H32 117.7 . . ?
C39 N C33 111.8(7) . . ?
C39 N C37 109.8(8) . . ?
C33 N C37 110.4(7) . . ?
C39 N C35 108.8(7) . . ?
C33 N C35 107.9(8) . . ?
C37 N C35 108.1(7) . . ?
N C33 C34 118.7(11) . . ?
N C33 H33 107.6 . . ?
C34 C33 H33 107.6 . . ?
N C33 H33A 107.6 . . ?
C34 C33 H33A 107.6 . . ?
H33 C33 H33A 107.1 . . ?
C33 C34 H34 109.5 . . ?
C33 C34 H34A 109.5 . . ?
H34 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C36 C35 N 120.6(11) . . ?
C36 C35 H35 107.2 . . ?
N C35 H35 107.2 . . ?
C36 C35 H35A 107.2 . . ?
N C35 H35A 107.2 . . ?
H35 C35 H35A 106.8 . . ?
C35 C36 H36 109.5 . . ?
C35 C36 H36A 109.5 . . ?
H36 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N C37 C38 109.1(10) . . ?
N C37 H37 109.9 . . ?
C38 C37 H37 109.9 . . ?
N C37 H37A 109.9 . . ?
C38 C37 H37A 109.9 . . ?
H37 C37 H37A 108.3 . . ?
C37 C38 H38 109.5 . . ?
C37 C38 H38A 109.5 . . ?
H38 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C40 C39 N 121.9(11) . . ?
C40 C39 H39 106.8 . . ?
N C39 H39 106.8 . . ?
C40 C39 H39A 106.8 . . ?
N C39 H39A 106.8 . . ?
H39 C39 H39A 106.7 . . ?
C39 C40 H40 109.5 . . ?
C39 C40 H40A 109.5 . . ?
H40 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?

_diffrn_measured_fraction_theta_max    0.972
_diffrn_reflns_theta_full              29.97
_diffrn_measured_fraction_theta_full   0.972
_refine_diff_density_max    0.728
_refine_diff_density_min   -0.757
_refine_diff_density_rms    0.146