#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:15:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179404 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/01/4330134.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_4330134
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
'C92 H60 Au4 O18 P4 Rh10, 2(C16 H36 N), 2(C4 H8 O)'
_chemical_formula_sum            'C132 H148 Au4 N2 O20 P4 Rh10'
_chemical_formula_weight         4023.37
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-02-19T14:58:27-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 113.049(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.675(3)
_cell_length_b                   27.297(5)
_cell_length_c                   17.166(3)
_cell_measurement_temperature    293(2)
_cell_volume                     6759(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  area
_diffrn_measurement_method       w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_unetI/netI     0.0557
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            56807
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    5.618
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.589
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.977
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3880
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.747
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     745
_refine_ls_number_reflns         15498
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.036
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0104P)²+20.7718P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0588
_refine_ls_wR_factor_ref         0.0674
_reflns_number_gt                11194
_reflns_number_total             15498
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201613j_si_001_2.cif
_cod_data_source_block           fu40b
_cod_database_code               4330134
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Rh1 Rh 0.94053(3) 0.467841(14) 0.00721(2) 0.02113(9) Uani 1 1 d .
Rh2 Rh 1.03138(3) 0.380387(15) -0.01886(3) 0.02872(10) Uani 1 1 d .
Rh3 Rh 0.81520(3) 0.536720(16) 0.03248(3) 0.02997(10) Uani 1 1 d .
Rh4 Rh 0.85428(3) 0.558725(15) -0.10706(2) 0.02449(9) Uani 1 1 d .
Rh5 Rh 0.99789(3) 0.550057(15) 0.14318(2) 0.02610(10) Uani 1 1 d .
C C 0.9409(3) 0.54241(18) 0.0142(3) 0.0228(11) Uiso 1 1 d .
C1 C 0.8459(4) 0.4302(2) 0.0181(3) 0.0378(14) Uani 1 1 d .
C2 C 0.9993(5) 0.3152(2) -0.0205(4) 0.0518(18) Uani 1 1 d .
C3 C 0.7090(5) 0.5163(3) 0.0468(4) 0.0500(17) Uani 1 1 d .
C4 C 0.7772(4) 0.5577(2) -0.2240(4) 0.0381(14) Uani 1 1 d .
C5 C 1.0584(4) 0.5398(2) 0.2617(4) 0.0361(14) Uani 1 1 d .
C24 C 0.8825(4) 0.6308(2) -0.1049(4) 0.0381(14) Uani 1 1 d .
C25 C 1.0316(4) 0.6219(2) 0.1484(4) 0.0358(14) Uani 1 1 d .
C34 C 0.7403(4) 0.5702(2) -0.0755(4) 0.0370(14) Uani 1 1 d .
C35 C 0.8688(4) 0.5659(2) 0.1489(4) 0.0396(15) Uani 1 1 d .
O1 O 0.7905(3) 0.40330(17) 0.0219(3) 0.0564(13) Uani 1 1 d .
O2 O 0.9758(4) 0.27557(19) -0.0187(4) 0.096(2) Uani 1 1 d .
O4 O 0.7255(3) 0.55906(17) -0.2929(3) 0.0649(14) Uani 1 1 d .
O3 O 0.6451(4) 0.5024(2) 0.0567(4) 0.093(2) Uani 1 1 d .
O5 O 1.0923(3) 0.53559(17) 0.3332(2) 0.0579(13) Uani 1 1 d .
O24 O 0.8552(3) 0.66356(15) -0.1518(3) 0.0621(14) Uani 1 1 d .
O25 O 1.0634(3) 0.65080(15) 0.2022(3) 0.0534(12) Uani 1 1 d .
O34 O 0.6689(3) 0.58951(17) -0.1087(3) 0.0544(12) Uani 1 1 d .
O35 O 0.8445(3) 0.58507(19) 0.1973(3) 0.0666(15) Uani 1 1 d .
Au1 Au 0.819215(15) 0.457533(8) -0.154857(13) 0.03035(6) Uani 1 1 d .
P1 P 0.68776(10) 0.42285(5) -0.25302(9) 0.0314(3) Uani 1 1 d .
C111 C 0.6809(4) 0.3563(2) -0.2429(3) 0.0340(13) Uani 1 1 d .
C112 C 0.7365(4) 0.3347(2) -0.1680(4) 0.0457(16) Uani 1 1 d .
H112 H 0.7771 0.3537 -0.1242 0.055 Uiso 1 1 calc R
C113 C 0.7322(5) 0.2847(2) -0.1577(4) 0.061(2) Uani 1 1 d .
H113 H 0.7701 0.2703 -0.1067 0.073 Uiso 1 1 calc R
C114 C 0.6738(5) 0.2564(2) -0.2207(5) 0.059(2) Uani 1 1 d .
H114 H 0.6723 0.2227 -0.2134 0.07 Uiso 1 1 calc R
C115 C 0.6171(5) 0.2775(3) -0.2948(5) 0.059(2) Uani 1 1 d .
H115 H 0.5754 0.2584 -0.3378 0.071 Uiso 1 1 calc R
C116 C 0.6217(5) 0.3276(2) -0.3061(4) 0.0478(17) Uani 1 1 d .
H116 H 0.584 0.3417 -0.3574 0.057 Uiso 1 1 calc R
C121 C 0.5798(4) 0.4448(2) -0.2490(3) 0.0351(13) Uani 1 1 d .
C122 C 0.4930(4) 0.4332(2) -0.3071(4) 0.0500(17) Uani 1 1 d .
H122 H 0.4873 0.4142 -0.3539 0.06 Uiso 1 1 calc R
C123 C 0.4147(5) 0.4489(3) -0.2977(4) 0.059(2) Uani 1 1 d .
H123 H 0.3566 0.4398 -0.3371 0.07 Uiso 1 1 calc R
C124 C 0.4215(5) 0.4779(3) -0.2301(5) 0.065(2) Uani 1 1 d .
H124 H 0.3684 0.4894 -0.2245 0.078 Uiso 1 1 calc R
C125 C 0.5069(5) 0.4897(3) -0.1715(5) 0.077(3) Uani 1 1 d .
H125 H 0.5122 0.509 -0.1252 0.093 Uiso 1 1 calc R
C126 C 0.5855(5) 0.4732(3) -0.1806(4) 0.060(2) Uani 1 1 d .
H126 H 0.6434 0.4814 -0.14 0.072 Uiso 1 1 calc R
C131 C 0.6741(4) 0.4306(2) -0.3627(3) 0.0370(14) Uani 1 1 d .
C132 C 0.6226(4) 0.4696(2) -0.4110(4) 0.0462(16) Uani 1 1 d .
H132 H 0.5904 0.4905 -0.3894 0.055 Uiso 1 1 calc R
C133 C 0.6204(5) 0.4765(3) -0.4917(4) 0.059(2) Uani 1 1 d .
H133 H 0.5864 0.5026 -0.5239 0.071 Uiso 1 1 calc R
C134 C 0.6658(6) 0.4467(3) -0.5249(5) 0.073(3) Uani 1 1 d .
H134 H 0.6623 0.4518 -0.5797 0.088 Uiso 1 1 calc R
C135 C 0.7172(6) 0.4088(3) -0.4774(5) 0.068(2) Uani 1 1 d .
H135 H 0.749 0.3881 -0.4999 0.082 Uiso 1 1 calc R
C136 C 0.7220(5) 0.4010(2) -0.3968(4) 0.0501(17) Uani 1 1 d .
H136 H 0.758 0.3754 -0.3648 0.06 Uiso 1 1 calc R
Au2 Au 1.009171(16) 0.444349(8) 0.174027(13) 0.03357(6) Uani 1 1 d .
P2 P 0.99192(11) 0.40115(6) 0.28198(9) 0.0346(4) Uani 1 1 d .
C211 C 0.9245(4) 0.3454(2) 0.2463(4) 0.0412(15) Uani 1 1 d .
C212 C 0.9172(5) 0.3242(2) 0.1711(4) 0.0539(18) Uani 1 1 d .
H212 H 0.9441 0.3395 0.138 0.065 Uiso 1 1 calc R
C213 C 0.8708(6) 0.2808(3) 0.1443(5) 0.074(2) Uani 1 1 d .
H213 H 0.8676 0.2671 0.0937 0.088 Uiso 1 1 calc R
C214 C 0.8290(6) 0.2572(3) 0.1904(6) 0.079(3) Uani 1 1 d .
H214 H 0.797 0.228 0.1713 0.095 Uiso 1 1 calc R
C215 C 0.8357(6) 0.2779(3) 0.2656(6) 0.075(2) Uani 1 1 d .
H215 H 0.8085 0.2621 0.2982 0.089 Uiso 1 1 calc R
C216 C 0.8819(5) 0.3216(3) 0.2937(5) 0.0564(19) Uani 1 1 d .
H216 H 0.8846 0.3353 0.3443 0.068 Uiso 1 1 calc R
C221 C 1.0970(4) 0.3805(2) 0.3689(3) 0.0374(14) Uani 1 1 d .
C222 C 1.1101(5) 0.3329(2) 0.3994(4) 0.0503(17) Uani 1 1 d .
H222 H 1.0654 0.3092 0.3732 0.06 Uiso 1 1 calc R
C223 C 1.1895(5) 0.3205(3) 0.4688(4) 0.061(2) Uani 1 1 d .
H223 H 1.1977 0.2884 0.4886 0.073 Uiso 1 1 calc R
C224 C 1.2554(5) 0.3545(3) 0.5083(4) 0.062(2) Uani 1 1 d .
H224 H 1.308 0.3458 0.5553 0.074 Uiso 1 1 calc R
C225 C 1.2441(5) 0.4018(3) 0.4783(4) 0.0582(19) Uani 1 1 d .
H225 H 1.2893 0.4252 0.5046 0.07 Uiso 1 1 calc R
C226 C 1.1646(5) 0.4144(3) 0.4083(4) 0.0503(17) Uani 1 1 d .
H226 H 1.1573 0.4464 0.3881 0.06 Uiso 1 1 calc R
C231 C 0.9345(4) 0.4362(2) 0.3378(4) 0.0381(14) Uani 1 1 d .
C232 C 0.9496(5) 0.4281(3) 0.4222(4) 0.059(2) Uani 1 1 d .
H232 H 0.9892 0.4031 0.452 0.071 Uiso 1 1 calc R
C233 C 0.9067(5) 0.4566(3) 0.4620(5) 0.070(2) Uani 1 1 d .
H233 H 0.9162 0.4503 0.5181 0.083 Uiso 1 1 calc R
C234 C 0.8504(5) 0.4938(3) 0.4194(5) 0.068(2) Uani 1 1 d .
H234 H 0.8221 0.5133 0.4467 0.082 Uiso 1 1 calc R
C235 C 0.8350(5) 0.5030(3) 0.3367(5) 0.059(2) Uani 1 1 d .
H235 H 0.7971 0.5289 0.3081 0.071 Uiso 1 1 calc R
C236 C 0.8762(4) 0.4736(2) 0.2960(4) 0.0469(16) Uani 1 1 d .
H236 H 0.8642 0.4792 0.2392 0.056 Uiso 1 1 calc R
N1 N 0.5347(3) 0.71345(17) 0.7941(3) 0.0398(12) Uani 1 1 d .
C11N C 0.6245(4) 0.7160(2) 0.8713(4) 0.0476(17) Uani 1 1 d .
H11A H 0.6098 0.7158 0.9212 0.057 Uiso 1 1 calc R
H11B H 0.6597 0.6865 0.873 0.057 Uiso 1 1 calc R
C12N C 0.6857(5) 0.7594(3) 0.8772(5) 0.062(2) Uani 1 1 d .
H12A H 0.6526 0.7893 0.878 0.075 Uiso 1 1 calc R
H12B H 0.7012 0.7603 0.8277 0.075 Uiso 1 1 calc R
C13N C 0.7735(6) 0.7566(3) 0.9561(5) 0.083(3) Uani 1 1 d .
H13A H 0.8046 0.726 0.9554 0.1 Uiso 1 1 calc R
H13B H 0.8143 0.783 0.9546 0.1 Uiso 1 1 calc R
C14N C 0.7599(9) 0.7598(6) 1.0364(6) 0.196(8) Uani 1 1 d .
H14A H 0.8188 0.7574 1.0832 0.294 Uiso 1 1 calc R
H14B H 0.7206 0.7335 1.0392 0.294 Uiso 1 1 calc R
H14C H 0.7315 0.7906 1.0389 0.294 Uiso 1 1 calc R
C21N C 0.4766(5) 0.7590(2) 0.7848(4) 0.0462(16) Uani 1 1 d .
H21A H 0.4226 0.7567 0.732 0.055 Uiso 1 1 calc R
H21B H 0.5125 0.7871 0.7804 0.055 Uiso 1 1 calc R
C22N C 0.4439(6) 0.7686(3) 0.8554(5) 0.066(2) Uani 1 1 d .
H22A H 0.4957 0.7656 0.9095 0.079 Uiso 1 1 calc R
H22B H 0.3978 0.7443 0.8533 0.079 Uiso 1 1 calc R
C23N C 0.4017(6) 0.8200(3) 0.8471(6) 0.079(3) Uani 1 1 d .
H23A H 0.3607 0.8256 0.7886 0.094 Uiso 1 1 calc R
H23B H 0.3649 0.8218 0.8811 0.094 Uiso 1 1 calc R
C24N C 0.4728(7) 0.8590(3) 0.8743(6) 0.105(4) Uani 1 1 d .
H24A H 0.443 0.8904 0.8668 0.158 Uiso 1 1 calc R
H24B H 0.5095 0.8574 0.8409 0.158 Uiso 1 1 calc R
H24C H 0.512 0.8545 0.9329 0.158 Uiso 1 1 calc R
C31N C 0.4843(4) 0.6679(2) 0.8047(4) 0.0465(16) Uani 1 1 d .
H31A H 0.5237 0.6398 0.8093 0.056 Uiso 1 1 calc R
H31B H 0.4763 0.6707 0.8578 0.056 Uiso 1 1 calc R
C32N C 0.3903(5) 0.6580(3) 0.7350(4) 0.0573(19) Uani 1 1 d .
H32A H 0.3488 0.685 0.7316 0.069 Uiso 1 1 calc R
H32B H 0.3968 0.6557 0.6811 0.069 Uiso 1 1 calc R
C33N C 0.3491(6) 0.6108(3) 0.7513(6) 0.081(3) Uani 1 1 d .
H33A H 0.2898 0.6053 0.705 0.097 Uiso 1 1 calc R
H33B H 0.3896 0.5839 0.7519 0.097 Uiso 1 1 calc R
C34N C 0.3351(7) 0.6105(4) 0.8321(6) 0.108(4) Uani 1 1 d .
H34A H 0.3096 0.5795 0.8385 0.163 Uiso 1 1 calc R
H34B H 0.2932 0.6363 0.8314 0.163 Uiso 1 1 calc R
H34C H 0.3936 0.6154 0.8786 0.163 Uiso 1 1 calc R
C41N C 0.5538(4) 0.7103(2) 0.7138(4) 0.0439(16) Uani 1 1 d .
H41A H 0.4949 0.7073 0.6659 0.053 Uiso 1 1 calc R
H41B H 0.582 0.7408 0.7074 0.053 Uiso 1 1 calc R
C42N C 0.6155(5) 0.6686(3) 0.7103(4) 0.060(2) Uani 1 1 d .
H42A H 0.6776 0.6738 0.7526 0.072 Uiso 1 1 calc R
H42B H 0.5923 0.6381 0.7234 0.072 Uiso 1 1 calc R
C43N C 0.6196(5) 0.6646(3) 0.6245(4) 0.0575(19) Uani 1 1 d .
H43A H 0.6295 0.6971 0.6067 0.069 Uiso 1 1 calc R
H43B H 0.6729 0.6448 0.6297 0.069 Uiso 1 1 calc R
C44N C 0.5364(6) 0.6433(4) 0.5573(6) 0.106(4) Uani 1 1 d .
H44A H 0.5449 0.6426 0.5049 0.159 Uiso 1 1 calc R
H44B H 0.4831 0.6628 0.5506 0.159 Uiso 1 1 calc R
H44C H 0.5271 0.6105 0.5728 0.159 Uiso 1 1 calc R
O1S O 0.5400(7) 0.6897(4) 0.0279(6) 0.169(4) Uiso 1 1 d D
C2S C 0.4655(14) 0.6890(9) 0.0532(14) 0.307(12) Uiso 1 1 d D
H2S1 H 0.4546 0.7213 0.0711 0.368 Uiso 1 1 calc R
H2S2 H 0.4094 0.6777 0.0078 0.368 Uiso 1 1 calc R
C3S C 0.4943(15) 0.6561(8) 0.1208(13) 0.260(10) Uiso 1 1 d D
H3S1 H 0.4548 0.6274 0.1059 0.312 Uiso 1 1 calc R
H3S2 H 0.489 0.6713 0.1698 0.312 Uiso 1 1 calc R
C4S C 0.5972(18) 0.6407(11) 0.1428(15) 0.419(19) Uiso 1 1 d D
H4S1 H 0.6417 0.6649 0.1765 0.503 Uiso 1 1 calc R
H4S2 H 0.6122 0.6087 0.1692 0.503 Uiso 1 1 calc R
C5S C 0.5860(14) 0.6405(7) 0.0582(13) 0.259(10) Uiso 1 1 d D
H5S1 H 0.5466 0.6137 0.0274 0.311 Uiso 1 1 calc R
H5S2 H 0.6452 0.6383 0.0528 0.311 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
C1 Rh1 C 121.8(2) . .
C1 Rh1 C 138.7(2) . 3_765
C Rh1 C 99.48(18) . 3_765
C1 Rh1 Rh1 171.63(18) . 3_765
C Rh1 Rh1 49.91(14) . 3_765
C Rh1 Rh1 49.57(13) 3_765 3_765
C1 Rh1 Au1 77.28(17) . .
C Rh1 Au1 98.59(13) . .
C Rh1 Au1 97.08(13) 3_765 .
Rh1 Rh1 Au1 102.17(2) 3_765 .
C1 Rh1 Au2 76.54(17) . .
C Rh1 Au2 100.55(13) . .
C Rh1 Au2 98.30(13) 3_765 .
Rh1 Rh1 Au2 104.67(2) 3_765 .
Au1 Rh1 Au2 153.036(18) . .
C1 Rh1 Rh3 74.28(18) . .
C Rh1 Rh3 47.48(14) . .
C Rh1 Rh3 146.95(14) 3_765 .
Rh1 Rh1 Rh3 97.39(3) 3_765 .
Au1 Rh1 Rh3 88.646(18) . .
Au2 Rh1 Rh3 90.420(17) . .
C1 Rh1 Rh2 91.11(18) . .
C Rh1 Rh2 147.11(14) . .
C Rh1 Rh2 47.63(13) 3_765 .
Rh1 Rh1 Rh2 97.20(3) 3_765 .
Au1 Rh1 Rh2 86.882(17) . .
Au2 Rh1 Rh2 87.281(16) . .
Rh3 Rh1 Rh2 165.34(2) . .
C1 Rh1 Rh4 120.69(18) . 3_765
C Rh1 Rh4 102.92(13) . 3_765
C Rh1 Rh4 41.01(13) 3_765 3_765
Rh1 Rh1 Rh4 65.62(2) 3_765 3_765
Au1 Rh1 Rh4 135.181(17) . 3_765
Au2 Rh1 Rh4 57.371(12) . 3_765
Rh3 Rh1 Rh4 134.173(19) . 3_765
Rh2 Rh1 Rh4 54.825(15) . 3_765
C1 Rh1 Rh5 109.21(17) . .
C Rh1 Rh5 40.64(13) . .
C Rh1 Rh5 102.56(13) 3_765 .
Rh1 Rh1 Rh5 65.359(19) 3_765 .
Au1 Rh1 Rh5 136.825(18) . .
Au2 Rh1 Rh5 59.934(16) . .
Rh3 Rh1 Rh5 55.073(16) . .
Rh2 Rh1 Rh5 134.015(19) . .
Rh4 Rh1 Rh5 79.631(16) 3_765 .
C1 Rh1 Rh4 109.48(18) . .
C Rh1 Rh4 40.05(13) . .
C Rh1 Rh4 101.29(13) 3_765 .
Rh1 Rh1 Rh4 63.97(2) 3_765 .
Au1 Rh1 Rh4 58.577(14) . .
Au2 Rh1 Rh4 138.258(17) . .
Rh3 Rh1 Rh4 54.646(16) . .
Rh2 Rh1 Rh4 132.40(2) . .
Rh4 Rh1 Rh4 129.592(15) 3_765 .
Rh5 Rh1 Rh4 79.91(2) . .
C1 Rh1 Rh5 120.58(17) . 3_765
C Rh1 Rh5 102.10(14) . 3_765
C Rh1 Rh5 40.21(13) 3_765 3_765
Rh1 Rh1 Rh5 64.499(18) 3_765 3_765
Au1 Rh1 Rh5 56.901(18) . 3_765
Au2 Rh1 Rh5 135.35(2) . 3_765
Rh3 Rh1 Rh5 132.620(18) . 3_765
Rh2 Rh1 Rh5 54.258(14) . 3_765
Rh4 Rh1 Rh5 80.222(19) 3_765 3_765
Rh5 Rh1 Rh5 129.858(17) . 3_765
Rh4 Rh1 Rh5 78.657(18) . 3_765
C2 Rh2 C24 86.4(2) . 3_765
C2 Rh2 C25 86.6(2) . 3_765
C24 Rh2 C25 164.5(2) 3_765 3_765
C2 Rh2 C 175.2(3) . 3_765
C24 Rh2 C 93.8(2) 3_765 3_765
C25 Rh2 C 94.3(2) 3_765 3_765
C2 Rh2 Rh5 133.62(19) . 3_765
C24 Rh2 Rh5 138.46(16) 3_765 3_765
C25 Rh2 Rh5 47.01(16) 3_765 3_765
C Rh2 Rh5 47.38(12) 3_765 3_765
C2 Rh2 Rh4 133.01(19) . 3_765
C24 Rh2 Rh4 46.67(16) 3_765 3_765
C25 Rh2 Rh4 139.22(16) 3_765 3_765
C Rh2 Rh4 47.13(12) 3_765 3_765
Rh5 Rh2 Rh4 92.96(2) 3_765 3_765
C2 Rh2 Rh1 130.4(2) . .
C24 Rh2 Rh1 97.29(16) 3_765 .
C25 Rh2 Rh1 97.77(16) 3_765 .
C Rh2 Rh1 44.86(13) 3_765 .
Rh5 Rh2 Rh1 67.048(18) 3_765 .
Rh4 Rh2 Rh1 65.874(18) 3_765 .
C3 Rh3 C34 91.6(3) . .
C3 Rh3 C35 92.0(3) . .
C34 Rh3 C35 127.7(2) . .
C3 Rh3 C 166.7(3) . .
C34 Rh3 C 94.2(2) . .
C35 Rh3 C 93.9(2) . .
C3 Rh3 Rh4 133.9(2) . .
C34 Rh3 Rh4 48.80(18) . .
C35 Rh3 Rh4 129.01(18) . .
C Rh3 Rh4 47.20(13) . .
C3 Rh3 Rh5 133.3(2) . .
C34 Rh3 Rh5 130.85(17) . .
C35 Rh3 Rh5 49.23(18) . .
C Rh3 Rh5 47.22(13) . .
Rh4 Rh3 Rh5 92.62(2) . .
C3 Rh3 Rh1 121.6(2) . .
C34 Rh3 Rh1 110.47(18) . .
C35 Rh3 Rh1 111.47(18) . .
C Rh3 Rh1 45.16(13) . .
Rh4 Rh3 Rh1 67.304(17) . .
Rh5 Rh3 Rh1 66.759(19) . .
C4 Rh4 C24 94.5(2) . .
C4 Rh4 C 166.2(2) . .
C24 Rh4 C 98.1(2) . .
C4 Rh4 C34 91.3(2) . .
C24 Rh4 C34 93.0(2) . .
C Rh4 C34 93.6(2) . .
C4 Rh4 Rh2 142.02(17) . 3_765
C24 Rh4 Rh2 47.64(17) . 3_765
C Rh4 Rh2 50.46(14) . 3_765
C34 Rh4 Rh2 93.78(16) . 3_765
C4 Rh4 Rh3 130.52(19) . .
C24 Rh4 Rh3 108.53(18) . .
C Rh4 Rh3 49.65(14) . .
C34 Rh4 Rh3 45.80(16) . .
Rh2 Rh4 Rh3 75.41(2) 3_765 .
C4 Rh4 Au2 80.65(19) . 3_765
C24 Rh4 Au2 80.77(18) . 3_765
C Rh4 Au2 95.84(14) . 3_765
C34 Rh4 Au2 169.31(16) . 3_765
Rh2 Rh4 Au2 88.46(2) 3_765 3_765
Rh3 Rh4 Au2 144.567(18) . 3_765
C4 Rh4 Au1 73.23(17) . .
C24 Rh4 Au1 163.93(18) . .
C Rh4 Au1 93.33(14) . .
C34 Rh4 Au1 97.52(16) . .
Rh2 Rh4 Au1 142.745(18) 3_765 .
Rh3 Rh4 Au1 87.477(17) . .
Au2 Rh4 Au1 86.871(14) 3_765 .
C4 Rh4 Rh1 132.81(19) . 3_765
C24 Rh4 Rh1 92.64(17) . 3_765
C Rh4 Rh1 41.23(14) . 3_765
C34 Rh4 Rh1 134.84(16) . 3_765
Rh2 Rh4 Rh1 59.304(16) 3_765 3_765
Rh3 Rh4 Rh1 90.230(19) . 3_765
Au2 Rh4 Rh1 54.684(17) 3_765 3_765
Au1 Rh4 Rh1 88.506(15) . 3_765
C4 Rh4 Rh1 126.36(17) . .
C24 Rh4 Rh1 136.60(17) . .
C Rh4 Rh1 40.02(13) . .
C34 Rh4 Rh1 99.22(16) . .
Rh2 Rh4 Rh1 89.87(2) 3_765 .
Rh3 Rh4 Rh1 58.050(16) . .
Au2 Rh4 Rh1 91.232(17) 3_765 .
Au1 Rh4 Rh1 53.341(15) . .
Rh1 Rh4 Rh1 50.406(15) 3_765 .
C5 Rh5 C25 94.8(2) . .
C5 Rh5 C 165.1(2) . .
C25 Rh5 C 98.2(2) . .
C5 Rh5 C35 93.8(2) . .
C25 Rh5 C35 92.2(2) . .
C Rh5 C35 92.9(2) . .
C5 Rh5 Rh2 142.44(17) . 3_765
C25 Rh5 Rh2 47.81(16) . 3_765
C Rh5 Rh2 50.47(14) . 3_765
C35 Rh5 Rh2 91.32(16) . 3_765
C5 Rh5 Rh3 131.60(17) . .
C25 Rh5 Rh3 109.85(17) . .
C Rh5 Rh3 49.42(14) . .
C35 Rh5 Rh3 46.09(16) . .
Rh2 Rh5 Rh3 75.265(18) 3_765 .
C5 Rh5 Au1 81.04(17) . 3_765
C25 Rh5 Au1 79.99(17) . 3_765
C Rh5 Au1 94.04(14) . 3_765
C35 Rh5 Au1 170.16(16) . 3_765
Rh2 Rh5 Au1 87.808(16) 3_765 3_765
Rh3 Rh5 Au1 142.44(2) . 3_765
C5 Rh5 Au2 72.01(17) . .
C25 Rh5 Au2 162.01(17) . .
C Rh5 Au2 93.73(13) . .
C35 Rh5 Au2 100.67(17) . .
Rh2 Rh5 Au2 143.026(18) 3_765 .
Rh3 Rh5 Au2 88.142(16) . .
Au1 Rh5 Au2 85.786(13) 3_765 .
C5 Rh5 Rh1 125.06(17) . .
C25 Rh5 Rh1 136.63(16) . .
C Rh5 Rh1 40.42(13) . .
C35 Rh5 Rh1 100.53(16) . .
Rh2 Rh5 Rh1 90.25(2) 3_765 .
Rh3 Rh5 Rh1 58.169(15) . .
Au1 Rh5 Rh1 89.275(15) 3_765 .
Au2 Rh5 Rh1 53.333(15) . .
C5 Rh5 Rh1 132.43(18) . 3_765
C25 Rh5 Rh1 91.61(16) . 3_765
C Rh5 Rh1 40.24(14) . 3_765
C35 Rh5 Rh1 133.03(16) . 3_765
Rh2 Rh5 Rh1 58.695(17) 3_765 3_765
Rh3 Rh5 Rh1 89.05(2) . 3_765
Au1 Rh5 Rh1 53.835(12) 3_765 3_765
Au2 Rh5 Rh1 88.797(14) . 3_765
Rh1 Rh5 Rh1 50.142(16) . 3_765
Rh1 C Rh4 99.9(2) . .
Rh1 C Rh5 98.9(2) . .
Rh4 C Rh5 156.2(3) . .
Rh1 C Rh1 80.52(18) . 3_765
Rh4 C Rh1 97.8(2) . 3_765
Rh5 C Rh1 99.5(2) . 3_765
Rh1 C Rh3 87.36(18) . .
Rh4 C Rh3 83.15(17) . .
Rh5 C Rh3 83.36(18) . .
Rh1 C Rh3 167.8(3) 3_765 .
Rh1 C Rh2 168.0(3) . 3_765
Rh4 C Rh2 82.41(17) . 3_765
Rh5 C Rh2 82.16(17) . 3_765
Rh1 C Rh2 87.51(18) 3_765 3_765
Rh3 C Rh2 104.6(2) . 3_765
O1 C1 Rh1 173.7(6) . .
O2 C2 Rh2 175.5(7) . .
O3 C3 Rh3 177.9(7) . .
O4 C4 Rh4 174.4(6) . .
O5 C5 Rh5 176.6(6) . .
O24 C24 Rh4 135.9(5) . .
O24 C24 Rh2 138.2(5) . 3_765
Rh4 C24 Rh2 85.7(2) . 3_765
O25 C25 Rh5 135.5(5) . .
O25 C25 Rh2 138.9(5) . 3_765
Rh5 C25 Rh2 85.2(2) . 3_765
O34 C34 Rh3 140.3(5) . .
O34 C34 Rh4 134.2(5) . .
Rh3 C34 Rh4 85.4(2) . .
O35 C35 Rh3 139.7(5) . .
O35 C35 Rh5 135.5(5) . .
Rh3 C35 Rh5 84.7(2) . .
P1 Au1 Rh1 150.16(4) . .
P1 Au1 Rh5 128.43(4) . 3_765
Rh1 Au1 Rh5 69.264(16) . 3_765
P1 Au1 Rh4 128.54(4) . .
Rh1 Au1 Rh4 68.082(12) . .
Rh5 Au1 Rh4 88.548(14) 3_765 .
C121 P1 C131 105.4(3) . .
C121 P1 C111 103.4(3) . .
C131 P1 C111 103.1(3) . .
C121 P1 Au1 114.67(19) . .
C131 P1 Au1 114.81(19) . .
C111 P1 Au1 114.12(19) . .
C116 C111 C112 118.7(5) . .
C116 C111 P1 122.8(5) . .
C112 C111 P1 118.5(4) . .
C111 C112 C113 120.1(6) . .
C114 C113 C112 120.9(7) . .
C113 C114 C115 119.7(6) . .
C114 C115 C116 119.8(6) . .
C111 C116 C115 120.8(6) . .
C122 C121 C126 117.6(6) . .
C122 C121 P1 124.6(5) . .
C126 C121 P1 117.7(4) . .
C123 C122 C121 121.4(6) . .
C122 C123 C124 120.2(6) . .
C125 C124 C123 119.3(7) . .
C124 C125 C126 120.3(7) . .
C125 C126 C121 121.2(6) . .
C136 C131 C132 118.6(6) . .
C136 C131 P1 120.4(5) . .
C132 C131 P1 120.7(5) . .
C133 C132 C131 118.8(7) . .
C134 C133 C132 122.0(7) . .
C133 C134 C135 119.4(7) . .
C134 C135 C136 120.4(8) . .
C135 C136 C131 120.8(7) . .
P2 Au2 Rh1 148.07(4) . .
P2 Au2 Rh4 131.72(4) . 3_765
Rh1 Au2 Rh4 67.946(16) . 3_765
P2 Au2 Rh5 129.30(4) . .
Rh1 Au2 Rh5 66.733(12) . .
Rh4 Au2 Rh5 87.535(13) 3_765 .
C211 P2 C231 106.0(3) . .
C211 P2 C221 103.7(3) . .
C231 P2 C221 101.9(3) . .
C211 P2 Au2 113.2(2) . .
C231 P2 Au2 113.2(2) . .
C221 P2 Au2 117.6(2) . .
C212 C211 C216 117.8(6) . .
C212 C211 P2 119.5(5) . .
C216 C211 P2 122.7(5) . .
C213 C212 C211 121.0(7) . .
C214 C213 C212 121.6(8) . .
C213 C214 C215 118.1(8) . .
C214 C215 C216 121.3(7) . .
C215 C216 C211 120.1(7) . .
C226 C221 C222 118.5(6) . .
C226 C221 P2 118.0(5) . .
C222 C221 P2 123.4(5) . .
C221 C222 C223 120.2(7) . .
C224 C223 C222 120.9(7) . .
C223 C224 C225 119.6(7) . .
C224 C225 C226 119.7(7) . .
C221 C226 C225 121.0(6) . .
C236 C231 C232 118.0(6) . .
C236 C231 P2 118.7(5) . .
C232 C231 P2 123.2(5) . .
C233 C232 C231 120.9(7) . .
C234 C233 C232 119.8(7) . .
C233 C234 C235 120.8(7) . .
C234 C235 C236 119.4(7) . .
C231 C236 C235 121.1(6) . .
C21N N1 C11N 111.8(5) . .
C21N N1 C31N 111.5(5) . .
C11N N1 C31N 106.3(4) . .
C21N N1 C41N 105.9(4) . .
C11N N1 C41N 110.5(5) . .
C31N N1 C41N 110.9(5) . .
C12N C11N N1 116.5(5) . .
C11N C12N C13N 110.7(6) . .
C14N C13N C12N 114.9(9) . .
N1 C21N C22N 115.8(5) . .
C21N C22N C23N 110.6(6) . .
C24N C23N C22N 112.7(8) . .
C32N C31N N1 116.2(5) . .
C33N C32N C31N 111.0(6) . .
C34N C33N C32N 114.1(7) . .
C42N C41N N1 115.8(5) . .
C43N C42N C41N 111.6(6) . .
C44N C43N C42N 115.5(7) . .
C2S O1S C5S 102.9(14) . .
C3S C2S O1S 103.3(17) . .
C2S C3S C4S 109.9(19) . .
C5S C4S C3S 93.0(18) . .
C4S C5S O1S 101.7(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C1 1.873(7) .
Rh1 C 2.039(5) .
Rh1 C 2.049(5) 3_765
Rh1 Rh1 2.6420(9) 3_765
Rh1 Au1 2.7005(6) .
Rh1 Au2 2.7123(7) .
Rh1 Rh3 2.8723(7) .
Rh1 Rh2 2.9026(7) .
Rh1 Rh4 3.0808(7) 3_765
Rh1 Rh5 3.1064(7) .
Rh1 Rh4 3.1230(7) .
Rh1 Rh5 3.1283(7) 3_765
Rh2 C2 1.847(7) .
Rh2 C24 2.045(6) 3_765
Rh2 C25 2.050(6) 3_765
Rh2 C 2.147(5) 3_765
Rh2 Rh5 2.7574(7) 3_765
Rh2 Rh4 2.7593(6) 3_765
Rh3 C3 1.862(7) .
Rh3 C34 1.986(6) .
Rh3 C35 2.005(6) .
Rh3 C 2.119(5) .
Rh3 Rh4 2.7609(7) .
Rh3 Rh5 2.7718(7) .
Rh4 C4 1.895(6) .
Rh4 C24 2.013(6) .
Rh4 C 2.040(5) .
Rh4 C34 2.084(6) .
Rh4 Rh2 2.7592(6) 3_765
Rh4 Au2 2.7994(6) 3_765
Rh4 Au1 2.8726(7) .
Rh4 Rh1 3.0808(8) 3_765
Rh5 C5 1.898(6) .
Rh5 C25 2.024(6) .
Rh5 C 2.048(5) .
Rh5 C35 2.108(6) .
Rh5 Rh2 2.7575(7) 3_765
Rh5 Au1 2.8023(7) 3_765
Rh5 Au2 2.9264(7) .
Rh5 Rh1 3.1283(7) 3_765
C Rh1 2.049(5) 3_765
C Rh2 2.147(5) 3_765
C1 O1 1.159(7) .
C2 O2 1.146(7) .
C3 O3 1.143(7) .
C4 O4 1.143(6) .
C5 O5 1.137(6) .
C24 O24 1.167(6) .
C24 Rh2 2.045(6) 3_765
C25 O25 1.167(6) .
C25 Rh2 2.050(6) 3_765
C34 O34 1.165(6) .
C35 O35 1.165(7) .
Au1 P1 2.2940(14) .
Au1 Rh5 2.8022(7) 3_765
P1 C121 1.822(6) .
P1 C131 1.822(6) .
P1 C111 1.831(6) .
C111 C116 1.367(7) .
C111 C112 1.373(8) .
C112 C113 1.379(8) .
C113 C114 1.353(9) .
C114 C115 1.363(9) .
C115 C116 1.384(9) .
C121 C122 1.372(8) .
C121 C126 1.381(8) .
C122 C123 1.369(9) .
C123 C124 1.374(10) .
C124 C125 1.361(9) .
C125 C126 1.376(9) .
C131 C136 1.382(9) .
C131 C132 1.394(8) .
C132 C133 1.385(9) .
C133 C134 1.348(11) .
C134 C135 1.368(11) .
C135 C136 1.372(9) .
Au2 P2 2.3000(15) .
Au2 Rh4 2.7994(6) 3_765
P2 C211 1.816(6) .
P2 C231 1.821(6) .
P2 C221 1.826(6) .
C211 C212 1.378(8) .
C211 C216 1.399(8) .
C212 C213 1.372(9) .
C213 C214 1.369(11) .
C214 C215 1.375(11) .
C215 C216 1.382(10) .
C221 C226 1.371(9) .
C221 C222 1.385(8) .
C222 C223 1.388(9) .
C223 C224 1.356(10) .
C224 C225 1.377(10) .
C225 C226 1.393(9) .
C231 C236 1.371(8) .
C231 C232 1.391(8) .
C232 C233 1.372(9) .
C233 C234 1.358(10) .
C234 C235 1.366(10) .
C235 C236 1.380(9) .
N1 C21N 1.513(7) .
N1 C11N 1.511(7) .
N1 C31N 1.520(7) .
N1 C41N 1.523(7) .
C11N C12N 1.504(9) .
C12N C13N 1.509(10) .
C13N C14N 1.477(13) .
C21N C22N 1.512(9) .
C22N C23N 1.535(10) .
C23N C24N 1.477(11) .
C31N C32N 1.516(8) .
C32N C33N 1.516(10) .
C33N C34N 1.486(12) .
C41N C42N 1.511(9) .
C42N C43N 1.502(9) .
C43N C44N 1.481(10) .
O1S C2S 1.396(15) .
O1S C5S 1.517(14) .
C2S C3S 1.395(16) .
C3S C4S 1.565(17) .
C4S C5S 1.392(17) .
