#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:15:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179404 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/01/4330133.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4330133
loop_
_publ_author_name
'Laura Cherchi'
'Alessandro Fumagalli'
'Serena Fedi'
'Piero Zanello'
'Fabrizia Fabrizi De Biani'
'Franco Laschi'
'Luigi Garlaschelli'
'Piero Macchi'
'Angelo Sironi'
_publ_contact_author_address
;
Department of Structural Chemistry
University of Milan
Via Venezian 21
Milano, Italy
;
_publ_contact_author_email       angelo.sironi@unimi.it
_publ_contact_author_fax         '+39 02 50314454'
_publ_contact_author_name        'Sironi, Angelo'
_publ_contact_author_phone       '+39 02 50314448'
_publ_section_title
;
 Synthesis, Reactivity, Electrochemical Behavior, and Crystal Structure of
 a Family of Multivalent Metal Carbido-Carbonyl Clusters Based on the
 Rh10(C)2Au4-6Framework
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9171
_journal_page_last               9180
_journal_paper_doi               10.1021/ic201613j
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C128 H90 Au6 O18 P6 Rh10, 2(C5 H9 N O)'
_chemical_formula_sum            'C138 H108 Au6 N2 O20 P6 Rh10'
_chemical_formula_weight         4510.98
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-02-19T14:56:18-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.9240(18)
_cell_angle_beta                 97.9550(18)
_cell_angle_gamma                100.3750(18)
_cell_formula_units_Z            1
_cell_length_a                   14.7030(18)
_cell_length_b                   15.0640(19)
_cell_length_c                   15.2830(19)
_cell_measurement_temperature    150(2)
_cell_volume                     3294.7(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            43253
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    8.004
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.680
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.274
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2124
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.774
_refine_diff_density_min         -2.695
_refine_diff_density_rms         0.392
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     787
_refine_ls_number_reflns         15140
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0253
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0485P)²+5.8217P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0721
_refine_ls_wR_factor_ref         0.0818
_reflns_number_gt                13097
_reflns_number_total             15140
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201613j_si_001_1.cif
_cod_data_source_block           fu58
_cod_database_code               4330133
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Au1 Au 0.310346(13) 0.862510(12) 0.055778(12) 0.01902(5) Uani 1 1 d .
Au2 Au 0.327722(13) 1.067665(13) -0.135052(12) 0.01960(5) Uani 1 1 d .
Au3 Au 0.519791(15) 0.771221(14) -0.246861(14) 0.02708(6) Uani 1 1 d .
Rh5 Rh 0.36676(2) 0.88549(2) -0.11253(2) 0.01600(8) Uani 1 1 d .
Rh1 Rh 0.49474(2) 0.93580(2) 0.06065(2) 0.01335(7) Uani 1 1 d .
Rh3 Rh 0.51829(3) 0.94270(2) -0.20250(2) 0.01590(8) Uani 1 1 d .
Rh4 Rh 0.34937(2) 1.05774(2) 0.05178(2) 0.01488(8) Uani 1 1 d .
Rh2 Rh 0.51090(3) 0.79078(2) -0.06626(2) 0.01597(8) Uani 1 1 d .
P1 P 0.20284(9) 0.75719(8) 0.11226(9) 0.0199(2) Uani 1 1 d .
P2 P 0.21836(9) 1.10835(9) -0.24149(8) 0.0207(3) Uani 1 1 d .
P3 P 0.51755(10) 0.65546(9) -0.34231(9) 0.0257(3) Uani 1 1 d .
C C 0.5072(3) 0.9288(3) -0.0692(3) 0.0160(9) Uani 1 1 d .
C1 C 0.4820(4) 0.8657(4) 0.1606(3) 0.0252(11) Uani 1 1 d .
O1 O 0.4731(3) 0.8148(3) 0.2165(3) 0.0340(9) Uani 1 1 d .
C2 C 0.5172(4) 0.6694(3) -0.0400(4) 0.0270(11) Uani 1 1 d .
O2 O 0.5247(3) 0.5984(3) -0.0217(3) 0.0469(12) Uani 1 1 d .
C3 C 0.5281(4) 0.9715(4) -0.3210(3) 0.0274(11) Uani 1 1 d .
O3 O 0.5352(3) 0.9924(3) -0.3918(3) 0.0464(12) Uani 1 1 d .
C4 C 0.2174(4) 1.0282(3) 0.0144(3) 0.0226(10) Uani 1 1 d .
O4 O 0.1383(3) 1.0152(3) -0.0046(3) 0.0324(9) Uani 1 1 d .
C5 C 0.2327(4) 0.8567(4) -0.1280(3) 0.0262(11) Uani 1 1 d .
O5 O 0.1543(3) 0.8339(3) -0.1409(3) 0.0413(11) Uani 1 1 d .
C24 C 0.3469(3) 1.1920(3) 0.0613(3) 0.0204(10) Uani 1 1 d .
O24 O 0.2900(3) 1.2359(2) 0.0698(3) 0.0298(8) Uani 1 1 d .
C25 C 0.3719(3) 0.7511(3) -0.1121(3) 0.0221(10) Uani 1 1 d .
O25 O 0.3179(3) 0.6841(2) -0.1351(3) 0.0341(9) Uani 1 1 d .
C34 C 0.6613(3) 0.9465(3) -0.1829(3) 0.0189(9) Uani 1 1 d .
O34 O 0.7198(3) 0.9418(3) -0.2270(2) 0.0294(8) Uani 1 1 d .
C35 C 0.3728(3) 0.9017(3) -0.2432(3) 0.0212(10) Uani 1 1 d .
O35 O 0.3224(3) 0.8902(3) -0.3099(3) 0.0351(9) Uani 1 1 d .
C111 C 0.2403(4) 0.6489(3) 0.1297(3) 0.0235(10) Uani 1 1 d .
C112 C 0.3061(4) 0.6255(4) 0.0818(4) 0.0380(14) Uani 1 1 d .
H112 H 0.3339 0.6671 0.0447 0.046 Uiso 1 1 calc R
C113 C 0.3315(5) 0.5414(4) 0.0876(5) 0.0444(16) Uani 1 1 d .
H113 H 0.3745 0.5263 0.0534 0.053 Uiso 1 1 calc R
C114 C 0.2927(4) 0.4806(4) 0.1442(4) 0.0367(14) Uani 1 1 d .
H114 H 0.3090 0.4238 0.1485 0.044 Uiso 1 1 calc R
C115 C 0.2300(5) 0.5045(4) 0.1942(4) 0.0373(14) Uani 1 1 d .
H115 H 0.2054 0.4640 0.2339 0.045 Uiso 1 1 calc R
C116 C 0.2025(4) 0.5871(4) 0.1871(4) 0.0304(12) Uani 1 1 d .
H116 H 0.1586 0.6014 0.2208 0.037 Uiso 1 1 calc R
C121 C 0.0914(4) 0.7288(3) 0.0395(3) 0.0231(10) Uani 1 1 d .
C122 C 0.0604(4) 0.6457(4) -0.0036(4) 0.0347(13) Uani 1 1 d .
H122 H 0.0943 0.5996 0.0075 0.042 Uiso 1 1 calc R
C123 C -0.0217(5) 0.6304(5) -0.0640(5) 0.0471(17) Uani 1 1 d .
H123 H -0.0423 0.5742 -0.0931 0.056 Uiso 1 1 calc R
C124 C -0.0725(5) 0.6990(5) -0.0805(4) 0.0419(15) Uani 1 1 d .
H124 H -0.1276 0.6886 -0.1203 0.050 Uiso 1 1 calc R
C125 C -0.0419(4) 0.7817(4) -0.0385(4) 0.0358(13) Uani 1 1 d .
H125 H -0.0755 0.8278 -0.0507 0.043 Uiso 1 1 calc R
C126 C 0.0389(4) 0.7974(4) 0.0222(4) 0.0275(11) Uani 1 1 d .
H126 H 0.0585 0.8536 0.0516 0.033 Uiso 1 1 calc R
C131 C 0.1736(4) 0.7909(3) 0.2185(3) 0.0253(11) Uani 1 1 d .
C132 C 0.2386(4) 0.8532(4) 0.2723(4) 0.0322(12) Uani 1 1 d .
H132 H 0.2954 0.8764 0.2536 0.039 Uiso 1 1 calc R
C133 C 0.2203(5) 0.8818(5) 0.3540(4) 0.0446(16) Uani 1 1 d .
H133 H 0.2637 0.9255 0.3887 0.054 Uiso 1 1 calc R
C134 C 0.1375(6) 0.8449(5) 0.3832(4) 0.0476(17) Uani 1 1 d .
H134 H 0.1255 0.8630 0.4382 0.057 Uiso 1 1 calc R
C135 C 0.0734(5) 0.7821(5) 0.3315(4) 0.0463(17) Uani 1 1 d .
H135 H 0.0182 0.7569 0.3520 0.056 Uiso 1 1 calc R
C136 C 0.0895(4) 0.7554(4) 0.2484(4) 0.0345(13) Uani 1 1 d .
H136 H 0.0444 0.7140 0.2128 0.041 Uiso 1 1 calc R
C211 C 0.2420(4) 1.1042(4) -0.3555(3) 0.0264(11) Uani 1 1 d .
C212 C 0.3331(4) 1.1099(4) -0.3714(4) 0.0350(13) Uani 1 1 d .
H212 H 0.3811 1.1147 -0.3240 0.042 Uiso 1 1 calc R
C213 C 0.3538(5) 1.1085(5) -0.4576(4) 0.0435(16) Uani 1 1 d .
H213 H 0.4152 1.1117 -0.4677 0.052 Uiso 1 1 calc R
C214 C 0.2835(5) 1.1025(4) -0.5273(4) 0.0427(16) Uani 1 1 d .
H214 H 0.2977 1.1030 -0.5847 0.051 Uiso 1 1 calc R
C215 C 0.1926(6) 1.0958(5) -0.5134(4) 0.0465(17) Uani 1 1 d .
H215 H 0.1452 1.0908 -0.5613 0.056 Uiso 1 1 calc R
C216 C 0.1707(5) 1.0965(5) -0.4270(4) 0.0394(14) Uani 1 1 d .
H216 H 0.1090 1.0919 -0.4175 0.047 Uiso 1 1 calc R
C221 C 0.1034(3) 1.0357(3) -0.2472(3) 0.0220(10) Uani 1 1 d .
C222 C 0.0890(4) 0.9511(4) -0.2899(4) 0.0350(13) Uani 1 1 d .
H222 H 0.1364 0.9337 -0.3168 0.042 Uiso 1 1 calc R
C223 C 0.0050(4) 0.8930(4) -0.2926(4) 0.0383(14) Uani 1 1 d .
H223 H -0.0041 0.8367 -0.3216 0.046 Uiso 1 1 calc R
C224 C -0.0660(4) 0.9176(4) -0.2524(4) 0.0349(13) Uani 1 1 d .
H224 H -0.1229 0.8782 -0.2550 0.042 Uiso 1 1 calc R
C225 C -0.0519(4) 1.0013(4) -0.2084(4) 0.0349(13) Uani 1 1 d .
H225 H -0.0991 1.0177 -0.1806 0.042 Uiso 1 1 calc R
C226 C 0.0327(4) 1.0604(4) -0.2059(4) 0.0284(11) Uani 1 1 d .
H226 H 0.0420 1.1166 -0.1766 0.034 Uiso 1 1 calc R
C231 C 0.1971(4) 1.2220(4) -0.2231(4) 0.0248(11) Uani 1 1 d .
C232 C 0.1769(5) 1.2786(4) -0.2919(4) 0.0381(14) Uani 1 1 d .
H232 H 0.1751 1.2590 -0.3503 0.046 Uiso 1 1 calc R
C233 C 0.1595(6) 1.3642(5) -0.2733(5) 0.0508(18) Uani 1 1 d .
H233 H 0.1462 1.4016 -0.3193 0.061 Uiso 1 1 calc R
C234 C 0.1618(5) 1.3940(4) -0.1875(5) 0.0494(18) Uani 1 1 d .
H234 H 0.1496 1.4511 -0.1759 0.059 Uiso 1 1 calc R
C235 C 0.1822(5) 1.3396(4) -0.1184(5) 0.0438(16) Uani 1 1 d .
H235 H 0.1841 1.3600 -0.0603 0.053 Uiso 1 1 calc R
C236 C 0.1998(5) 1.2541(4) -0.1364(4) 0.0352(13) Uani 1 1 d .
H236 H 0.2138 1.2176 -0.0898 0.042 Uiso 1 1 calc R
C311 C 0.4296(5) 0.6595(4) -0.4384(4) 0.0348(13) Uani 1 1 d .
C312 C 0.4308(6) 0.7416(5) -0.4784(5) 0.054(2) Uani 1 1 d .
H312 H 0.4743 0.7920 -0.4552 0.065 Uiso 1 1 calc R
C313 C 0.3683(6) 0.7485(6) -0.5516(6) 0.064(2) Uani 1 1 d .
H313 H 0.3706 0.8030 -0.5798 0.077 Uiso 1 1 calc R
C314 C 0.3015(6) 0.6740(6) -0.5836(5) 0.061(2) Uani 1 1 d .
H314 H 0.2582 0.6788 -0.6329 0.073 Uiso 1 1 calc R
C315 C 0.2987(6) 0.5953(5) -0.5443(5) 0.059(2) Uani 1 1 d .
H315 H 0.2532 0.5459 -0.5663 0.071 Uiso 1 1 calc R
C316 C 0.3627(5) 0.5864(5) -0.4713(5) 0.0448(16) Uani 1 1 d .
H316 H 0.3605 0.5312 -0.4446 0.054 Uiso 1 1 calc R
C321 C 0.6275(4) 0.6615(4) -0.3858(4) 0.0318(12) Uani 1 1 d .
C322 C 0.7101(4) 0.6861(4) -0.3292(5) 0.0389(14) Uani 1 1 d .
H322 H 0.7084 0.7000 -0.2701 0.047 Uiso 1 1 calc R
C323 C 0.7952(6) 0.6904(5) -0.3586(6) 0.057(2) Uani 1 1 d .
H323 H 0.8505 0.7052 -0.3195 0.069 Uiso 1 1 calc R
C324 C 0.7967(6) 0.6718(5) -0.4491(7) 0.064(3) Uani 1 1 d .
H324 H 0.8535 0.6737 -0.4699 0.077 Uiso 1 1 calc R
C325 C 0.7131(6) 0.6506(5) -0.5075(6) 0.061(2) Uani 1 1 d .
H325 H 0.7139 0.6405 -0.5676 0.073 Uiso 1 1 calc R
C326 C 0.6304(5) 0.6450(4) -0.4751(4) 0.0439(16) Uani 1 1 d .
H326 H 0.5747 0.6297 -0.5136 0.053 Uiso 1 1 calc R
C331 C 0.4905(4) 0.5431(4) -0.2997(4) 0.0283(11) Uani 1 1 d .
C332 C 0.4300(5) 0.5305(4) -0.2371(4) 0.0379(14) Uani 1 1 d .
H332 H 0.4050 0.5788 -0.2184 0.045 Uiso 1 1 calc R
C333 C 0.4062(5) 0.4462(5) -0.2021(5) 0.0487(17) Uani 1 1 d .
H333 H 0.3653 0.4378 -0.1604 0.058 Uiso 1 1 calc R
C334 C 0.4444(5) 0.3746(4) -0.2302(5) 0.0432(16) Uani 1 1 d .
H334 H 0.4296 0.3181 -0.2068 0.052 Uiso 1 1 calc R
C335 C 0.5042(5) 0.3874(4) -0.2929(4) 0.0428(15) Uani 1 1 d .
H335 H 0.5286 0.3391 -0.3124 0.051 Uiso 1 1 calc R
C336 C 0.5279(5) 0.4717(4) -0.3271(4) 0.0362(14) Uani 1 1 d .
H336 H 0.5692 0.4801 -0.3684 0.043 Uiso 1 1 calc R
N1S N 0.0539(19) 0.5917(18) 0.6306(16) 0.276(11) Uiso 1 1 d D
C3S C 0.1437(13) 0.7194(14) 0.5908(13) 0.180(8) Uiso 1 1 d D
H3S1 H 0.1805 0.7210 0.5427 0.216 Uiso 1 1 calc R
H3S2 H 0.1321 0.7795 0.6029 0.216 Uiso 1 1 calc R
O1S O 0.004(2) 0.6541(19) 0.504(2) 0.45(2) Uiso 1 1 d D
C4S C 0.0617(18) 0.6569(15) 0.5736(19) 0.279(15) Uiso 1 1 d D
C2S C 0.1860(16) 0.6840(16) 0.6660(15) 0.212(10) Uiso 1 1 d D
H2S1 H 0.2204 0.7319 0.7072 0.254 Uiso 1 1 calc R
H2S2 H 0.2287 0.6460 0.6505 0.254 Uiso 1 1 calc R
C1S C 0.1061(17) 0.6289(17) 0.7057(17) 0.227(11) Uiso 1 1 d D
H1S1 H 0.1268 0.5837 0.7443 0.272 Uiso 1 1 calc R
H1S2 H 0.0736 0.6667 0.7375 0.272 Uiso 1 1 calc R
C5S C -0.023(2) 0.523(2) 0.646(2) 0.307(17) Uiso 1 1 d D
H5S1 H -0.0044 0.4908 0.6970 0.460 Uiso 1 1 calc R
H5S2 H -0.0414 0.4824 0.5954 0.460 Uiso 1 1 calc R
H5S3 H -0.0746 0.5511 0.6564 0.460 Uiso 1 1 calc R
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 0 '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 0.006 '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'
Rh Rh -1.1178 0.9187 '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'
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
P1 Au1 Rh1 146.16(3) . .
P1 Au1 Rh5 133.75(3) . .
Rh1 Au1 Rh5 66.152(12) . .
P1 Au1 Rh4 135.52(3) . .
Rh1 Au1 Rh4 65.606(11) . .
Rh5 Au1 Rh4 79.342(11) . .
P2 Au2 Rh1 153.26(3) . 2_675
P2 Au2 Rh4 135.55(3) . .
Rh1 Au2 Rh4 66.371(11) 2_675 .
P2 Au2 Rh5 125.51(4) . .
Rh1 Au2 Rh5 66.415(11) 2_675 .
Rh4 Au2 Rh5 78.627(11) . .
P3 Au3 Rh3 154.48(4) . .
P3 Au3 Rh2 135.81(4) . .
Rh3 Au3 Rh2 69.565(11) . .
C5 Rh5 C35 94.0(2) . .
C5 Rh5 C25 89.9(2) . .
C35 Rh5 C25 97.2(2) . .
C5 Rh5 C 167.2(2) . .
C35 Rh5 C 96.85(19) . .
C25 Rh5 C 95.50(19) . .
C5 Rh5 Rh2 135.44(16) . .
C35 Rh5 Rh2 101.38(14) . .
C25 Rh5 Rh2 47.12(14) . .
C Rh5 Rh2 48.39(12) . .
C5 Rh5 Rh3 142.79(15) . .
C35 Rh5 Rh3 49.06(14) . .
C25 Rh5 Rh3 98.26(14) . .
C Rh5 Rh3 47.81(13) . .
Rh2 Rh5 Rh3 68.006(15) . .
C5 Rh5 Au1 71.89(15) . .
C35 Rh5 Au1 165.63(14) . .
C25 Rh5 Au1 85.85(14) . .
C Rh5 Au1 96.84(13) . .
Rh2 Rh5 Au1 90.995(14) . .
Rh3 Rh5 Au1 144.579(16) . .
C5 Rh5 Au2 81.29(17) . .
C35 Rh5 Au2 78.09(14) . .
C25 Rh5 Au2 169.57(14) . .
C Rh5 Au2 94.29(12) . .
Rh2 Rh5 Au2 142.629(16) . .
Rh3 Rh5 Au2 85.704(13) . .
Au1 Rh5 Au2 96.535(12) . .
C5 Rh5 Rh1 126.28(16) . .
C35 Rh5 Rh1 137.50(14) . .
C25 Rh5 Rh1 95.97(15) . .
C Rh5 Rh1 41.63(13) . .
Rh2 Rh5 Rh1 61.132(13) . .
Rh3 Rh5 Rh1 89.103(17) . .
Au1 Rh5 Rh1 55.489(13) . .
Au2 Rh5 Rh1 93.735(13) . .
C5 Rh5 Rh1 131.81(17) . 2_675
C35 Rh5 Rh1 92.21(14) . 2_675
C25 Rh5 Rh1 136.52(14) . 2_675
C Rh5 Rh1 41.12(12) . 2_675
Rh2 Rh5 Rh1 89.417(16) . 2_675
Rh3 Rh5 Rh1 58.033(13) . 2_675
Au1 Rh5 Rh1 95.235(13) . 2_675
Au2 Rh5 Rh1 53.527(12) . 2_675
Rh1 Rh5 Rh1 52.393(13) . 2_675
C1 Rh1 C 143.1(2) . .
C1 Rh1 C 120.0(2) . 2_675
C Rh1 C 96.85(17) . 2_675
C1 Rh1 Rh1 167.88(17) . 2_675
C Rh1 Rh1 48.84(12) . 2_675
C Rh1 Rh1 48.01(13) 2_675 2_675
C1 Rh1 Au2 75.29(16) . 2_675
C Rh1 Au2 100.87(13) . 2_675
C Rh1 Au2 101.15(13) 2_675 2_675
Rh1 Rh1 Au2 106.724(19) 2_675 2_675
C1 Rh1 Au1 71.77(16) . .
C Rh1 Au1 100.73(13) . .
C Rh1 Au1 101.78(13) 2_675 .
Rh1 Rh1 Au1 107.110(19) 2_675 .
Au2 Rh1 Au1 146.160(15) 2_675 .
C1 Rh1 Rh3 73.54(17) . 2_675
C Rh1 Rh3 143.30(12) . 2_675
C Rh1 Rh3 46.45(13) 2_675 2_675
Rh1 Rh1 Rh3 94.46(2) 2_675 2_675
Au2 Rh1 Rh3 88.358(14) 2_675 2_675
Au1 Rh1 Rh3 89.671(13) . 2_675
C1 Rh1 Rh2 98.32(17) . .
C Rh1 Rh2 44.87(12) . .
C Rh1 Rh2 141.71(13) 2_675 .
Rh1 Rh1 Rh2 93.71(2) 2_675 .
Au2 Rh1 Rh2 88.144(13) 2_675 .
Au1 Rh1 Rh2 89.073(13) . .
Rh3 Rh1 Rh2 171.743(16) 2_675 .
C1 Rh1 Rh5 121.40(16) . .
C Rh1 Rh5 42.67(13) . .
C Rh1 Rh5 99.65(13) 2_675 .
Rh1 Rh1 Rh5 64.952(17) 2_675 .
Au2 Rh1 Rh5 139.968(15) 2_675 .
Au1 Rh1 Rh5 58.360(12) . .
Rh3 Rh1 Rh5 129.997(16) 2_675 .
Rh2 Rh1 Rh5 55.328(13) . .
C1 Rh1 Rh4 124.98(16) . 2_675
C Rh1 Rh4 42.40(13) . 2_675
C Rh1 Rh4 98.56(13) 2_675 2_675
Rh1 Rh1 Rh4 63.899(15) 2_675 2_675
Au2 Rh1 Rh4 58.856(13) 2_675 2_675
Au1 Rh1 Rh4 139.939(16) . 2_675
Rh3 Rh1 Rh4 128.569(16) 2_675 2_675
Rh2 Rh1 Rh4 54.874(12) . 2_675
Rh5 Rh1 Rh4 84.496(16) . 2_675
C1 Rh1 Rh4 107.12(16) . .
C Rh1 Rh4 98.80(13) . .
C Rh1 Rh4 42.23(13) 2_675 .
Rh1 Rh1 Rh4 63.453(15) 2_675 .
Au2 Rh1 Rh4 140.347(16) 2_675 .
Au1 Rh1 Rh4 59.869(13) . .
Rh3 Rh1 Rh4 56.482(12) 2_675 .
Rh2 Rh1 Rh4 129.079(16) . .
Rh5 Rh1 Rh4 73.787(14) . .
Rh4 Rh1 Rh4 127.352(13) 2_675 .
C1 Rh1 Rh5 110.13(16) . 2_675
C Rh1 Rh5 98.36(13) . 2_675
C Rh1 Rh5 41.47(13) 2_675 2_675
Rh1 Rh1 Rh5 62.656(16) 2_675 2_675
Au2 Rh1 Rh5 60.057(12) 2_675 2_675
Au1 Rh1 Rh5 140.500(15) . 2_675
Rh3 Rh1 Rh5 55.796(13) 2_675 2_675
Rh2 Rh1 Rh5 127.900(16) . 2_675
Rh5 Rh1 Rh5 127.609(13) . 2_675
Rh4 Rh1 Rh5 73.101(14) 2_675 2_675
Rh4 Rh1 Rh5 83.279(16) . 2_675
C3 Rh3 C34 87.9(2) . .
C3 Rh3 C 172.5(2) . .
C34 Rh3 C 93.32(18) . .
C3 Rh3 C35 87.2(2) . .
C34 Rh3 C35 162.62(19) . .
C Rh3 C35 93.65(18) . .
C3 Rh3 Au3 88.57(17) . .
C34 Rh3 Au3 80.81(13) . .
C Rh3 Au3 98.91(12) . .
C35 Rh3 Au3 82.39(14) . .
C3 Rh3 Rh5 133.25(17) . .
C34 Rh3 Rh5 137.67(13) . .
C Rh3 Rh5 47.36(13) . .
C35 Rh3 Rh5 46.31(13) . .
Au3 Rh3 Rh5 89.643(14) . .
C3 Rh3 Rh4 133.15(17) . 2_675
C34 Rh3 Rh4 46.34(13) . 2_675
C Rh3 Rh4 47.12(13) . 2_675
C35 Rh3 Rh4 139.33(13) . 2_675
Au3 Rh3 Rh4 92.495(14) . 2_675
Rh5 Rh3 Rh4 93.598(17) . 2_675
C3 Rh3 Rh1 126.91(17) . 2_675
C34 Rh3 Rh1 99.43(13) . 2_675
C Rh3 Rh1 45.61(12) . 2_675
C35 Rh3 Rh1 96.82(14) . 2_675
Au3 Rh3 Rh1 144.507(16) . 2_675
Rh5 Rh3 Rh1 66.171(14) . 2_675
Rh4 Rh3 Rh1 65.121(14) 2_675 2_675
C3 Rh3 Rh2 145.71(17) . .
C34 Rh3 Rh2 85.20(13) . .
C Rh3 Rh2 41.77(12) . .
C35 Rh3 Rh2 89.44(13) . .
Au3 Rh3 Rh2 57.179(13) . .
Rh5 Rh3 Rh2 55.837(13) . .
Rh4 Rh3 Rh2 55.395(13) 2_675 .
Rh1 Rh3 Rh2 87.371(16) 2_675 .
C4 Rh4 C24 92.3(2) . .
C4 Rh4 C34 94.5(2) . 2_675
C24 Rh4 C34 87.62(19) . 2_675
C4 Rh4 C 167.6(2) . 2_675
C24 Rh4 C 96.08(19) . 2_675
C34 Rh4 C 94.99(18) 2_675 2_675
C4 Rh4 Rh2 137.83(15) . 2_675
C24 Rh4 Rh2 47.63(14) . 2_675
C34 Rh4 Rh2 95.87(13) 2_675 2_675
C Rh4 Rh2 48.69(12) 2_675 2_675
C4 Rh4 Rh3 140.59(15) . 2_675
C24 Rh4 Rh3 95.64(14) . 2_675
C34 Rh4 Rh3 47.53(14) 2_675 2_675
C Rh4 Rh3 47.60(13) 2_675 2_675
Rh2 Rh4 Rh3 68.060(14) 2_675 2_675
C4 Rh4 Au2 75.10(15) . .
C24 Rh4 Au2 89.00(14) . .
C34 Rh4 Au2 168.96(14) 2_675 .
C Rh4 Au2 95.82(13) 2_675 .
Rh2 Rh4 Au2 89.582(13) 2_675 .
Rh3 Rh4 Au2 143.382(16) 2_675 .
C4 Rh4 Au1 76.87(15) . .
C24 Rh4 Au1 165.99(14) . .
C34 Rh4 Au1 84.48(13) 2_675 .
C Rh4 Au1 96.12(12) 2_675 .
Rh2 Rh4 Au1 144.786(16) 2_675 .
Rh3 Rh4 Au1 87.535(13) 2_675 .
Au2 Rh4 Au1 96.595(12) . .
C4 Rh4 Rh1 128.05(16) . 2_675
C24 Rh4 Rh1 99.01(14) . 2_675
C34 Rh4 Rh1 136.20(14) 2_675 2_675
C Rh4 Rh1 41.40(13) 2_675 2_675
Rh2 Rh4 Rh1 61.146(13) 2_675 2_675
Rh3 Rh4 Rh1 88.666(17) 2_675 2_675
Au2 Rh4 Rh1 54.773(11) . 2_675
Au1 Rh4 Rh1 94.690(12) . 2_675
C4 Rh4 Rh1 129.18(15) . .
C24 Rh4 Rh1 137.97(14) . .
C34 Rh4 Rh1 94.65(13) 2_675 .
C Rh4 Rh1 41.89(12) 2_675 .
Rh2 Rh4 Rh1 90.484(17) 2_675 .
Rh3 Rh4 Rh1 58.396(13) 2_675 .
Au2 Rh4 Rh1 94.898(13) . .
Au1 Rh4 Rh1 54.525(12) . .
Rh1 Rh4 Rh1 52.648(14) 2_675 .
C2 Rh2 C25 89.0(2) . .
C2 Rh2 C24 85.3(2) . 2_675
C25 Rh2 C24 159.8(2) . 2_675
C2 Rh2 C 169.1(2) . .
C25 Rh2 C 94.53(18) . .
C24 Rh2 C 94.65(18) 2_675 .
C2 Rh2 Rh4 130.18(17) . 2_675
C25 Rh2 Rh4 140.64(14) . 2_675
C24 Rh2 Rh4 47.12(13) 2_675 2_675
C Rh2 Rh4 47.77(13) . 2_675
C2 Rh2 Rh5 134.84(17) . .
C25 Rh2 Rh5 47.03(14) . .
C24 Rh2 Rh5 139.34(13) 2_675 .
C Rh2 Rh5 47.52(13) . .
Rh4 Rh2 Rh5 94.664(17) 2_675 .
C2 Rh2 Au3 96.07(17) . .
C25 Rh2 Au3 80.42(15) . .
C24 Rh2 Au3 80.95(14) 2_675 .
C Rh2 Au3 94.66(12) . .
Rh4 Rh2 Au3 90.561(14) 2_675 .
Rh5 Rh2 Au3 87.259(14) . .
C2 Rh2 Rh1 126.31(17) . .
C25 Rh2 Rh1 97.91(14) . .
C24 Rh2 Rh1 101.06(14) 2_675 .
C Rh2 Rh1 43.01(12) . .
Rh4 Rh2 Rh1 63.981(14) 2_675 .
Rh5 Rh2 Rh1 63.541(14) . .
Au3 Rh2 Rh1 137.609(15) . .
C2 Rh2 Rh3 149.16(17) . .
C25 Rh2 Rh3 88.67(14) . .
C24 Rh2 Rh3 86.40(13) 2_675 .
C Rh2 Rh3 41.43(12) . .
Rh4 Rh2 Rh3 56.545(13) 2_675 .
Rh5 Rh2 Rh3 56.157(13) . .
Au3 Rh2 Rh3 53.256(12) . .
Rh1 Rh2 Rh3 84.439(16) . .
C131 P1 C121 105.3(2) . .
C131 P1 C111 105.2(2) . .
C121 P1 C111 104.3(2) . .
C131 P1 Au1 114.52(18) . .
C121 P1 Au1 113.12(16) . .
C111 P1 Au1 113.35(17) . .
C231 P2 C211 105.0(2) . .
C231 P2 C221 104.6(2) . .
C211 P2 C221 103.0(2) . .
C231 P2 Au2 113.41(18) . .
C211 P2 Au2 116.74(18) . .
C221 P2 Au2 112.83(16) . .
C321 P3 C331 106.4(3) . .
C321 P3 C311 105.6(3) . .
C331 P3 C311 106.4(3) . .
C321 P3 Au3 112.62(19) . .
C331 P3 Au3 115.80(19) . .
C311 P3 Au3 109.44(19) . .
Rh1 C Rh1 83.15(17) . 2_675
Rh1 C Rh5 95.70(19) . .
Rh1 C Rh5 97.41(19) 2_675 .
Rh1 C Rh4 96.20(19) . 2_675
Rh1 C Rh4 95.88(19) 2_675 2_675
Rh5 C Rh4 163.1(2) . 2_675
Rh1 C Rh3 171.1(2) . .
Rh1 C Rh3 87.94(17) 2_675 .
Rh5 C Rh3 84.82(17) . .
Rh4 C Rh3 85.29(17) 2_675 .
Rh1 C Rh2 92.12(18) . .
Rh1 C Rh2 175.2(3) 2_675 .
Rh5 C Rh2 84.09(17) . .
Rh4 C Rh2 83.53(16) 2_675 .
Rh3 C Rh2 96.80(19) . .
O1 C1 Rh1 173.1(5) . .
O2 C2 Rh2 176.8(6) . .
O3 C3 Rh3 177.3(5) . .
O4 C4 Rh4 175.6(5) . .
O5 C5 Rh5 174.5(5) . .
O24 C24 Rh4 135.6(4) . .
O24 C24 Rh2 138.7(4) . 2_675
Rh4 C24 Rh2 85.25(18) . 2_675
O25 C25 Rh5 134.8(4) . .
O25 C25 Rh2 139.1(4) . .
Rh5 C25 Rh2 85.85(19) . .
O34 C34 Rh4 136.2(4) . 2_675
O34 C34 Rh3 137.1(4) . .
Rh4 C34 Rh3 86.13(18) 2_675 .
O35 C35 Rh5 138.5(4) . .
O35 C35 Rh3 136.8(4) . .
Rh5 C35 Rh3 84.63(19) . .
C112 C111 C116 118.2(5) . .
C112 C111 P1 119.3(4) . .
C116 C111 P1 122.4(4) . .
C111 C112 C113 121.5(5) . .
C114 C113 C112 119.6(6) . .
C115 C114 C113 119.3(5) . .
C114 C115 C116 121.6(6) . .
C115 C116 C111 119.8(6) . .
C122 C121 C126 119.0(5) . .
C122 C121 P1 122.9(4) . .
C126 C121 P1 117.9(4) . .
C121 C122 C123 120.3(6) . .
C124 C123 C122 120.0(6) . .
C125 C124 C123 120.1(6) . .
C124 C125 C126 120.5(6) . .
C125 C126 C121 120.2(5) . .
C132 C131 C136 118.7(5) . .
C132 C131 P1 118.2(4) . .
C136 C131 P1 123.1(5) . .
C133 C132 C131 121.0(6) . .
C134 C133 C132 119.6(6) . .
C135 C134 C133 120.1(6) . .
C134 C135 C136 120.7(6) . .
C135 C136 C131 119.8(6) . .
C212 C211 C216 119.0(5) . .
C212 C211 P2 119.2(4) . .
C216 C211 P2 121.8(5) . .
C211 C212 C213 120.7(6) . .
C214 C213 C212 119.8(6) . .
C215 C214 C213 120.7(6) . .
C214 C215 C216 120.1(6) . .
C211 C216 C215 119.7(6) . .
C222 C221 C226 119.4(5) . .
C222 C221 P2 118.5(4) . .
C226 C221 P2 122.1(4) . .
C223 C222 C221 120.3(6) . .
C222 C223 C224 120.6(6) . .
C225 C224 C223 119.6(6) . .
C224 C225 C226 120.0(6) . .
C225 C226 C221 120.1(5) . .
C232 C231 C236 118.2(5) . .
C232 C231 P2 123.0(4) . .
C236 C231 P2 118.7(4) . .
C233 C232 C231 120.1(6) . .
C234 C233 C232 120.6(6) . .
C235 C234 C233 120.4(6) . .
C234 C235 C236 119.4(6) . .
C235 C236 C231 121.3(6) . .
C316 C311 C312 119.3(6) . .
C316 C311 P3 123.4(5) . .
C312 C311 P3 117.3(5) . .
C313 C312 C311 120.2(7) . .
C312 C313 C314 119.5(7) . .
C315 C314 C313 120.6(7) . .
C314 C315 C316 120.7(7) . .
C311 C316 C315 119.7(7) . .
C322 C321 C326 119.1(6) . .
C322 C321 P3 119.0(5) . .
C326 C321 P3 121.8(5) . .
C323 C322 C321 121.3(7) . .
C322 C323 C324 118.7(8) . .
C323 C324 C325 120.2(7) . .
C326 C325 C324 119.0(8) . .
C325 C326 C321 121.6(8) . .
C336 C331 C332 119.7(5) . .
C336 C331 P3 122.5(5) . .
C332 C331 P3 117.8(4) . .
C331 C332 C333 120.6(6) . .
C332 C333 C334 119.2(6) . .
C335 C334 C333 120.0(6) . .
C334 C335 C336 120.5(6) . .
C331 C336 C335 120.0(6) . .
C4S N1S C1S 104(3) . .
C4S N1S C5S 133(3) . .
C1S N1S C5S 113(2) . .
C2S C3S C4S 100(2) . .
O1S C4S N1S 121(2) . .
O1S C4S C3S 124(2) . .
N1S C4S C3S 114(3) . .
O1S C4S C2S 162.6(19) . .
N1S C4S C2S 74.1(19) . .
C3S C4S C2S 40.2(12) . .
C3S C2S C1S 105(2) . .
C3S C2S C4S 39.9(11) . .
C1S C2S C4S 68.5(14) . .
N1S C1S C2S 99(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.2978(12) .
Au1 Rh1 2.7273(5) .
Au1 Rh5 2.8178(5) .
Au1 Rh4 2.8965(5) .
Au2 P2 2.2957(13) .
Au2 Rh1 2.7090(5) 2_675
Au2 Rh4 2.8384(5) .
Au2 Rh5 2.9193(5) .
Au3 P3 2.2481(14) .
Au3 Rh3 2.6648(5) .
Au3 Rh2 2.7947(5) .
Rh5 C5 1.921(5) .
Rh5 C35 2.027(5) .
Rh5 C25 2.040(5) .
Rh5 C 2.062(5) .
Rh5 Rh2 2.7809(6) .
Rh5 Rh3 2.7914(6) .
Rh5 Rh1 3.0272(6) .
Rh5 Rh1 3.0875(6) 2_675
Rh1 C1 1.882(5) .
Rh1 C 2.021(5) .
Rh1 C 2.047(4) 2_675
Rh1 Rh1 2.6998(7) 2_675
Rh1 Au2 2.7091(5) 2_675
Rh1 Rh3 2.8634(6) 2_675
Rh1 Rh2 2.9612(6) .
Rh1 Rh4 3.0383(6) 2_675
Rh1 Rh4 3.0500(5) .
Rh1 Rh5 3.0875(6) 2_675
Rh3 C3 1.888(5) .
Rh3 C34 2.072(5) .
Rh3 C 2.077(5) .
Rh3 C35 2.118(5) .
Rh3 Rh4 2.8029(6) 2_675
Rh3 Rh1 2.8634(5) 2_675
Rh3 Rh2 3.1162(6) .
Rh4 C4 1.914(5) .
Rh4 C24 2.033(5) .
Rh4 C34 2.032(5) 2_675
Rh4 C 2.061(5) 2_675
Rh4 Rh2 2.7652(6) 2_675
Rh4 Rh3 2.8029(6) 2_675
Rh4 Rh1 3.0383(6) 2_675
Rh2 C2 1.894(5) .
Rh2 C25 2.043(5) .
Rh2 C24 2.050(5) 2_675
Rh2 C 2.090(4) .
Rh2 Rh4 2.7652(6) 2_675
P1 C131 1.823(5) .
P1 C121 1.825(5) .
P1 C111 1.825(5) .
P2 C231 1.819(5) .
P2 C211 1.825(5) .
P2 C221 1.830(5) .
P3 C321 1.819(6) .
P3 C331 1.820(5) .
P3 C311 1.827(6) .
C Rh1 2.047(4) 2_675
C Rh4 2.061(5) 2_675
C1 O1 1.162(6) .
C2 O2 1.130(6) .
C3 O3 1.145(7) .
C4 O4 1.140(6) .
C5 O5 1.130(7) .
C24 O24 1.175(6) .
C24 Rh2 2.050(5) 2_675
C25 O25 1.181(6) .
C34 O34 1.175(6) .
C34 Rh4 2.032(5) 2_675
C35 O35 1.166(6) .
C111 C112 1.381(8) .
C111 C116 1.386(7) .
C112 C113 1.384(8) .
C113 C114 1.373(9) .
C114 C115 1.367(9) .
C115 C116 1.378(8) .
C121 C122 1.376(8) .
C121 C126 1.405(7) .
C122 C123 1.394(9) .
C123 C124 1.388(9) .
C124 C125 1.363(9) .
C125 C126 1.383(8) .
C131 C132 1.379(8) .
C131 C136 1.397(8) .
C132 C133 1.390(8) .
C133 C134 1.380(10) .
C134 C135 1.363(10) .
C135 C136 1.389(9) .
C211 C212 1.382(8) .
C211 C216 1.393(8) .
C212 C213 1.393(8) .
C213 C214 1.367(10) .
C214 C215 1.369(10) .
C215 C216 1.401(9) .
C221 C222 1.391(8) .
C221 C226 1.390(7) .
C222 C223 1.373(8) .
C223 C224 1.384(9) .
C224 C225 1.387(9) .
C225 C226 1.389(8) .
C231 C232 1.398(8) .
C231 C236 1.395(8) .
C232 C233 1.392(9) .
C233 C234 1.373(11) .
C234 C235 1.380(10) .
C235 C236 1.389(9) .
C311 C316 1.374(9) .
C311 C312 1.387(9) .
C312 C313 1.364(10) .
C313 C314 1.384(11) .
C314 C315 1.335(11) .
C315 C316 1.381(10) .
C321 C322 1.377(9) .
C321 C326 1.391(8) .
C322 C323 1.378(10) .
C323 C324 1.410(12) .
C324 C325 1.399(13) .
C325 C326 1.365(10) .
C331 C336 1.378(8) .
C331 C332 1.387(8) .
C332 C333 1.391(9) .
C333 C334 1.389(10) .
C334 C335 1.381(10) .
C335 C336 1.385(8) .
N1S C4S 1.323(19) .
N1S C1S 1.342(18) .
N1S C5S 1.434(18) .
C3S C2S 1.390(17) .
C3S C4S 1.381(19) .
O1S C4S 1.260(18) .
C4S C2S 2.12(4) .
C2S C1S 1.517(18) .
