#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:28:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179379 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/76/4327672.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_4327672
loop_
_publ_author_name
'Alessandro Fumagalli'
'Mascia Bianchi'
'Maria Carlotta Malatesta'
'Gianfranco Ciani'
'Massimo Moret'
'Angelo Sironi'
_publ_section_title
;
 Mixed Ruthenium-Rhodium Carbonyl Cluster Complexes. Synthesis of the
 Anions [Ru3Rh(CO)13]- and [RuRh3(CO)12]- and Crystal Structures of Their
 [N(PPh3)2]+ Salts 1
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1324
_journal_page_last               1328
_journal_paper_doi               10.1021/ic970862+
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C49 H30 N O13 P2 Rh Ru3'
_chemical_formula_weight         1308.80
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_method           SHELXL
_cell_angle_alpha                110.53(1)
_cell_angle_beta                 99.79(2)
_cell_angle_gamma                91.85(2)
_cell_formula_units_Z            2
_cell_length_a                   9.827(2)
_cell_length_b                   14.911(2)
_cell_length_c                   18.735(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2520.9(8)
_computing_structure_refinement  SHELXL-93
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_method       'w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0112
_diffrn_reflns_av_sigmaI/netI    0.0128
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8800
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         3
_diffrn_standards_decay_%        3%
_exptl_absorpt_coefficient_mu    1.329
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_F_000             1284
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.060
_refine_diff_density_min         -0.646
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.026
_refine_ls_goodness_of_fit_obs   1.026
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         7257
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_restrained_S_obs      1.026
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_obs          0.0342
_refine_ls_shift/esd_max         0.052
_refine_ls_shift/esd_mean        0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[s²(Fo²)+(0.0557P)²+3.7112P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0983
_refine_ls_wR_factor_obs         0.0926
_reflns_number_observed          7257
_reflns_number_total             7272
_reflns_observed_criterion       I>3s(I)
_cod_data_source_file            ic9708622B_1.cif
_cod_data_source_block           fu6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'w=1/[s^2^(Fo^2^)+(0.0557P)^2^+3.7112P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[s^2^(Fo^2^)+(0.0557P)^2^+3.7112P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2520.9(7)
_cod_database_code               4327672
#BEGIN Tags that were not found in dictionaries:
_exptl_absorpt_correction_nazim  3
_diffrn_measurement_domega       '1.0 + 0.35 tan q'
_diffrn_measurement_rtime        60
#END Tags that were not found in dictionaries
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Rh Rh -0.08440(4) 0.73139(3) 0.30428(2) 0.05497(11) Uani 1 d .
Ru1 Ru -0.04030(4) 0.59263(3) 0.17109(2) 0.05529(11) Uani 1 d .
Ru2 Ru -0.05569(4) 0.55125(3) 0.30781(2) 0.05429(11) Uani 1 d .
Ru3 Ru -0.30184(4) 0.59211(3) 0.22139(2) 0.06419(13) Uani 1 d .
C1 C -0.0530(8) 0.8635(4) 0.3655(4) 0.088(2) Uani 1 d .
O1 O -0.0353(8) 0.9410(4) 0.4036(4) 0.155(3) Uani 1 d .
C11 C 0.1520(6) 0.6187(4) 0.1794(4) 0.085(2) Uani 1 d .
O11 O 0.2669(5) 0.6338(4) 0.1842(4) 0.147(2) Uani 1 d .
C12 C -0.0917(7) 0.5832(5) 0.0655(4) 0.092(2) Uani 1 d .
O12 O -0.1221(7) 0.5718(5) 0.0023(3) 0.149(3) Uani 1 d .
C13 C -0.0226(6) 0.4590(4) 0.1499(3) 0.0693(13) Uani 1 d .
O13 O -0.0067(5) 0.3793(3) 0.1285(3) 0.0996(13) Uani 1 d .
C21 C -0.0963(6) 0.5651(4) 0.4063(3) 0.0736(14) Uani 1 d .
O21 O -0.1203(6) 0.5723(4) 0.4650(3) 0.117(2) Uani 1 d .
C22 C 0.1058(6) 0.4873(3) 0.3169(3) 0.0647(12) Uani 1 d .
O22 O 0.2012(4) 0.4464(3) 0.3210(3) 0.0932(12) Uani 1 d .
C23 C -0.1907(6) 0.4402(4) 0.2539(3) 0.0719(14) Uani 1 d .
O23 O -0.2528(5) 0.3673(3) 0.2303(3) 0.0946(13) Uani 1 d .
C31 C -0.4011(6) 0.6729(6) 0.1762(4) 0.088(2) Uani 1 d .
O31 O -0.4611(5) 0.7216(5) 0.1506(3) 0.125(2) Uani 1 d .
C32 C -0.4519(6) 0.5459(5) 0.2561(3) 0.0775(15) Uani 1 d .
O32 O -0.5412(5) 0.5182(4) 0.2751(3) 0.113(2) Uani 1 d .
C33 C -0.3182(6) 0.4894(6) 0.1234(4) 0.088(2) Uani 1 d .
O33 O -0.3451(5) 0.4267(5) 0.0657(3) 0.128(2) Uani 1 d .
CB1 C -0.0741(6) 0.7423(4) 0.2004(3) 0.075(2) Uani 1 d .
OB1 O -0.0812(7) 0.8017(4) 0.1741(3) 0.124(2) Uani 1 d .
CB2 C 0.0806(5) 0.6847(3) 0.3583(3) 0.0634(12) Uani 1 d .
OB2 O 0.1887(4) 0.7149(3) 0.3935(3) 0.0937(13) Uani 1 d .
CB3 C -0.2663(5) 0.7061(4) 0.3332(3) 0.0691(13) Uani 1 d .
OB3 O -0.3196(4) 0.7393(3) 0.3866(2) 0.0937(13) Uani 1 d .
P1 P 0.35138(10) 0.09654(7) 0.16627(6) 0.0444(2) Uani 1 d .
P2 P 0.31648(11) 0.16307(7) 0.33081(6) 0.0440(2) Uani 1 d .
N N 0.2969(4) 0.1529(3) 0.2427(2) 0.0523(8) Uani 1 d .
C111 C 0.3489(4) 0.1727(3) 0.1107(2) 0.0473(9) Uani 1 d .
C112 C 0.3281(5) 0.2688(3) 0.1420(3) 0.0586(11) Uani 1 d .
H112 H 0.3120(5) 0.2943(3) 0.1925(3) 0.070 Uiso 1 calc R
C113 C 0.3310(6) 0.3273(4) 0.0989(3) 0.0747(14) Uani 1 d .
H113 H 0.3170(6) 0.3919(4) 0.1203(3) 0.090 Uiso 1 calc R
C114 C 0.3547(6) 0.2896(5) 0.0244(3) 0.078(2) Uani 1 d .
H114 H 0.3585(6) 0.3293(5) -0.0042(3) 0.094 Uiso 1 calc R
C115 C 0.3726(6) 0.1951(5) -0.0077(3) 0.078(2) Uani 1 d .
H115 H 0.3870(6) 0.1701(5) -0.0585(3) 0.094 Uiso 1 calc R
C116 C 0.3698(5) 0.1357(4) 0.0342(3) 0.0651(12) Uani 1 d .
H116 H 0.3819(5) 0.0709(4) 0.0116(3) 0.078 Uiso 1 calc R
C121 C 0.2372(4) -0.0098(3) 0.1074(2) 0.0532(10) Uani 1 d .
C122 C 0.0993(5) -0.0083(4) 0.1087(3) 0.0700(13) Uani 1 d .
H122 H 0.0678(5) 0.0461(4) 0.1416(3) 0.084 Uiso 1 calc R
C123 C 0.0050(6) -0.0860(5) 0.0620(4) 0.088(2) Uani 1 d .
H123 H -0.0888(6) -0.0838(5) 0.0641(4) 0.105 Uiso 1 calc R
C124 C 0.0491(7) -0.1650(5) 0.0135(4) 0.101(2) Uani 1 d .
H124 H -0.0141(7) -0.2175(5) -0.0177(4) 0.121 Uiso 1 calc R
C125 C 0.1851(8) -0.1678(5) 0.0102(5) 0.123(3) Uani 1 d .
H125 H 0.2146(8) -0.2223(5) -0.0237(5) 0.148 Uiso 1 calc R
C126 C 0.2823(6) -0.0901(4) 0.0569(4) 0.102(2) Uani 1 d .
H126 H 0.3757(6) -0.0925(4) 0.0540(4) 0.122 Uiso 1 calc R
C131 C 0.5261(4) 0.0631(3) 0.1805(2) 0.0497(10) Uani 1 d .
C132 C 0.6353(5) 0.1158(4) 0.1700(3) 0.0658(12) Uani 1 d .
H132 H 0.6180(5) 0.1659(4) 0.1521(3) 0.079 Uiso 1 calc R
C133 C 0.7696(5) 0.0935(5) 0.1864(4) 0.085(2) Uani 1 d .
H133 H 0.8425(5) 0.1277(5) 0.1782(4) 0.102 Uiso 1 calc R
C134 C 0.7959(6) 0.0218(5) 0.2144(4) 0.087(2) Uani 1 d .
H134 H 0.8869(6) 0.0085(5) 0.2263(4) 0.105 Uiso 1 calc R
C135 C 0.6909(6) -0.0306(5) 0.2251(3) 0.082(2) Uani 1 d .
H135 H 0.7101(6) -0.0794(5) 0.2444(3) 0.098 Uiso 1 calc R
C136 C 0.5541(5) -0.0108(4) 0.2071(3) 0.0680(13) Uani 1 d .
H136 H 0.4816(5) -0.0476(4) 0.2130(3) 0.082 Uiso 1 calc R
C211 C 0.1536(4) 0.1869(3) 0.3620(2) 0.0453(9) Uani 1 d .
C212 C 0.1155(5) 0.1565(3) 0.4178(3) 0.0603(11) Uani 1 d .
H212 H 0.1735(5) 0.1206(3) 0.4392(3) 0.072 Uiso 1 calc R
C213 C -0.0082(6) 0.1788(4) 0.4423(3) 0.0688(13) Uani 1 d .
H213 H -0.0337(6) 0.1567(4) 0.4792(3) 0.083 Uiso 1 calc R
C214 C -0.0924(5) 0.2325(4) 0.4129(3) 0.0681(13) Uani 1 d .
H214 H -0.1751(5) 0.2479(4) 0.4300(3) 0.082 Uiso 1 calc R
C215 C -0.0550(5) 0.2641(4) 0.3577(3) 0.0732(14) Uani 1 d .
H215 H -0.1125(5) 0.3017(4) 0.3379(3) 0.088 Uiso 1 calc R
C216 C 0.0662(5) 0.2409(3) 0.3313(3) 0.0586(11) Uani 1 d .
H216 H 0.0894(5) 0.2615(3) 0.2931(3) 0.070 Uiso 1 calc R
C221 C 0.4409(4) 0.2628(3) 0.3912(2) 0.0461(9) Uani 1 d .
C222 C 0.5203(5) 0.3102(3) 0.3585(3) 0.0553(10) Uani 1 d .
H222 H 0.5103(5) 0.2898(3) 0.3047(3) 0.066 Uiso 1 calc R
C223 C 0.6135(5) 0.3872(4) 0.4051(3) 0.0686(13) Uani 1 d .
H223 H 0.6665(5) 0.4186(4) 0.3826(3) 0.082 Uiso 1 calc R
C224 C 0.6300(5) 0.4187(4) 0.4843(3) 0.0693(13) Uani 1 d .
H224 H 0.6932(5) 0.4714(4) 0.5152(3) 0.083 Uiso 1 calc R
C225 C 0.5541(6) 0.3729(4) 0.5174(3) 0.0748(14) Uani 1 d .
H225 H 0.5671(6) 0.3933(4) 0.5713(3) 0.090 Uiso 1 calc R
C226 C 0.4564(5) 0.2952(4) 0.4714(3) 0.0648(12) Uani 1 d .
H226 H 0.4021(5) 0.2655(4) 0.4945(3) 0.078 Uiso 1 calc R
C231 C 0.3682(5) 0.0568(3) 0.3492(3) 0.0597(11) Uani 1 d .
C232 C 0.2754(6) -0.0261(4) 0.3141(4) 0.079(2) Uani 1 d .
H232 H 0.1895(6) -0.0240(4) 0.2851(4) 0.095 Uiso 1 calc R
C233 C 0.3110(9) -0.1107(5) 0.3224(5) 0.109(2) Uani 1 d .
H233 H 0.2490(9) -0.1659(5) 0.2989(5) 0.131 Uiso 1 calc R
C234 C 0.4345(10) -0.1140(6) 0.3641(6) 0.117(3) Uani 1 d .
H234 H 0.4574(10) -0.1719(6) 0.3689(6) 0.141 Uiso 1 calc R
C235 C 0.5265(9) -0.0349(6) 0.3993(5) 0.108(2) Uani 1 d .
H235 H 0.6113(9) -0.0387(6) 0.4283(5) 0.129 Uiso 1 calc R
C236 C 0.4943(6) 0.0542(5) 0.3920(3) 0.081(2) Uani 1 d .
H236 H 0.5571(6) 0.1090(5) 0.4157(3) 0.097 Uiso 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 0.0000 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'
Ru Ru -1.2594 0.8363 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C1 Rh CB3 96.9(3) y
C1 Rh CB1 97.9(2) y
CB3 Rh CB1 122.1(2) y
C1 Rh CB2 98.9(3) y
CB3 Rh CB2 114.2(2) y
CB1 Rh CB2 118.0(2) y
C1 Rh Ru2 143.6(2) y
CB3 Rh Ru2 80.5(2) y
CB1 Rh Ru2 114.3(2) y
CB2 Rh Ru2 51.75(14) y
C1 Rh Ru1 144.7(2) y
CB3 Rh Ru1 113.4(2) y
CB1 Rh Ru1 51.2(2) y
CB2 Rh Ru1 85.1(2) y
Ru2 Rh Ru1 63.12(2) y
C1 Rh Ru3 139.8(2) y
CB3 Rh Ru3 50.6(2) y
CB1 Rh Ru3 85.1(2) y
CB2 Rh Ru3 115.01(14) y
Ru2 Rh Ru3 63.28(2) y
Ru1 Rh Ru3 63.29(2) y
C11 Ru1 C12 96.0(3) y
C11 Ru1 C13 91.6(2) y
C12 Ru1 C13 96.8(3) y
C11 Ru1 CB1 92.4(2) y
C12 Ru1 CB1 85.6(3) y
C13 Ru1 CB1 175.1(2) y
C11 Ru1 Rh 101.1(2) y
C12 Ru1 Rh 129.8(2) y
C13 Ru1 Rh 129.1(2) y
CB1 Ru1 Rh 47.11(14) y
C11 Ru1 Ru2 103.1(2) y
C12 Ru1 Ru2 157.3(2) y
C13 Ru1 Ru2 70.8(2) y
CB1 Ru1 Ru2 105.44(14) y
Rh Ru1 Ru2 58.34(2) y
C11 Ru1 Ru3 158.0(2) y
C12 Ru1 Ru3 103.8(2) y
C13 Ru1 Ru3 95.4(2) y
CB1 Ru1 Ru3 79.83(14) y
Rh Ru1 Ru3 58.70(2) y
Ru2 Ru1 Ru3 60.16(2) y
C22 Ru2 C21 96.7(2) y
C22 Ru2 C23 99.1(2) y
C21 Ru2 C23 93.1(2) y
C22 Ru2 CB2 86.8(2) y
C21 Ru2 CB2 91.0(2) y
C23 Ru2 CB2 172.4(2) y
C22 Ru2 Rh 130.03(14) y
C21 Ru2 Rh 101.9(2) y
C23 Ru2 Rh 125.3(2) y
CB2 Ru2 Rh 47.39(13) y
C22 Ru2 Ru1 100.8(2) y
C21 Ru2 Ru1 159.6(2) y
C23 Ru2 Ru1 94.37(15) y
CB2 Ru2 Ru1 79.70(14) y
Rh Ru2 Ru1 58.55(2) y
C22 Ru2 Ru3 153.4(2) y
C21 Ru2 Ru3 105.9(2) y
C23 Ru2 Ru3 66.5(2) y
CB2 Ru2 Ru3 106.18(13) y
Rh Ru2 Ru3 58.82(2) y
Ru1 Ru2 Ru3 60.29(2) y
C31 Ru3 C33 92.9(3) y
C31 Ru3 C32 97.7(2) y
C33 Ru3 C32 98.1(3) y
C31 Ru3 CB3 90.1(3) y
C33 Ru3 CB3 175.5(2) y
C32 Ru3 CB3 84.8(2) y
C31 Ru3 Rh 94.2(2) y
C33 Ru3 Rh 129.8(2) y
C32 Ru3 Rh 129.7(2) y
CB3 Ru3 Rh 46.43(14) y
C31 Ru3 Ru2 151.5(2) y
C33 Ru3 Ru2 100.8(2) y
C32 Ru3 Ru2 104.7(2) y
CB3 Ru3 Ru2 75.02(14) y
Rh Ru3 Ru2 57.90(2) y
C31 Ru3 Ru1 102.4(2) y
C33 Ru3 Ru1 72.0(2) y
C32 Ru3 Ru1 157.8(2) y
CB3 Ru3 Ru1 104.07(14) y
Rh Ru3 Ru1 58.00(2) y
Ru2 Ru3 Ru1 59.55(2) y
O1 C1 Rh 177.8(6) y
O11 C11 Ru1 179.7(7) y
O12 C12 Ru1 175.8(7) y
O13 C13 Ru1 170.9(5) y
O21 C21 Ru2 179.2(5) y
O22 C22 Ru2 178.1(5) y
O23 C23 Ru2 166.7(5) y
O31 C31 Ru3 178.7(6) y
O32 C32 Ru3 178.7(5) y
O33 C33 Ru3 171.3(6) y
OB1 CB1 Rh 137.1(5) y
OB1 CB1 Ru1 141.2(5) y
Rh CB1 Ru1 81.7(2) y
OB2 CB2 Rh 137.8(4) y
OB2 CB2 Ru2 141.2(4) y
Rh CB2 Ru2 80.9(2) y
OB3 CB3 Rh 136.3(5) y
OB3 CB3 Ru3 140.7(5) y
Rh CB3 Ru3 83.0(2) y
N P1 C111 107.7(2) ?
N P1 C121 111.0(2) ?
C111 P1 C121 106.8(2) ?
N P1 C131 115.7(2) ?
C111 P1 C131 106.8(2) ?
C121 P1 C131 108.5(2) ?
N P2 C221 110.9(2) ?
N P2 C211 108.6(2) ?
C221 P2 C211 107.4(2) ?
N P2 C231 114.4(2) ?
C221 P2 C231 108.5(2) ?
C211 P2 C231 106.8(2) ?
P1 N P2 140.6(2) ?
C112 C111 C116 118.6(4) ?
C112 C111 P1 121.3(3) ?
C116 C111 P1 120.1(4) ?
C113 C112 C111 120.4(5) ?
C113 C112 H112 119.8(3) ?
C111 C112 H112 119.8(3) ?
C114 C113 C112 119.8(5) ?
C114 C113 H113 120.1(4) ?
C112 C113 H113 120.1(3) ?
C115 C114 C113 120.4(5) ?
C115 C114 H114 119.8(3) ?
C113 C114 H114 119.8(4) ?
C114 C115 C116 120.6(5) ?
C114 C115 H115 119.7(3) ?
C116 C115 H115 119.7(3) ?
C115 C116 C111 120.1(5) ?
C115 C116 H116 120.0(3) ?
C111 C116 H116 120.0(3) ?
C122 C121 C126 118.7(4) ?
C122 C121 P1 118.4(4) ?
C126 C121 P1 122.7(4) ?
C121 C122 C123 121.4(5) ?
C121 C122 H122 119.3(3) ?
C123 C122 H122 119.3(4) ?
C124 C123 C122 119.9(6) ?
C124 C123 H123 120.1(4) ?
C122 C123 H123 120.1(4) ?
C123 C124 C125 120.0(6) ?
C123 C124 H124 120.0(4) ?
C125 C124 H124 120.0(4) ?
C124 C125 C126 121.1(6) ?
C124 C125 H125 119.4(4) ?
C126 C125 H125 119.4(4) ?
C121 C126 C125 118.9(6) ?
C121 C126 H126 120.6(3) ?
C125 C126 H126 120.6(4) ?
C136 C131 C132 119.1(4) ?
C136 C131 P1 120.3(4) ?
C132 C131 P1 120.5(4) ?
C133 C132 C131 119.8(5) ?
C133 C132 H132 120.1(4) ?
C131 C132 H132 120.1(3) ?
C134 C133 C132 120.4(6) ?
C134 C133 H133 119.8(3) ?
C132 C133 H133 119.8(4) ?
C135 C134 C133 120.9(5) ?
C135 C134 H134 119.5(4) ?
C133 C134 H134 119.5(3) ?
C134 C135 C136 119.6(6) ?
C134 C135 H135 120.2(4) ?
C136 C135 H135 120.2(4) ?
C131 C136 C135 120.2(5) ?
C131 C136 H136 119.9(3) ?
C135 C136 H136 119.9(4) ?
C212 C211 C216 118.7(4) ?
C212 C211 P2 122.0(3) ?
C216 C211 P2 119.2(3) ?
C211 C212 C213 120.5(4) ?
C211 C212 H212 119.7(3) ?
C213 C212 H212 119.7(3) ?
C214 C213 C212 120.5(5) ?
C214 C213 H213 119.7(3) ?
C212 C213 H213 119.7(3) ?
C213 C214 C215 119.5(5) ?
C213 C214 H214 120.2(3) ?
C215 C214 H214 120.2(3) ?
C214 C215 C216 120.8(5) ?
C214 C215 H215 119.6(3) ?
C216 C215 H215 119.6(3) ?
C215 C216 C211 119.8(4) ?
C215 C216 H216 120.1(3) ?
C211 C216 H216 120.1(2) ?
C222 C221 C226 119.0(4) ?
C222 C221 P2 120.5(3) ?
C226 C221 P2 120.5(3) ?
C223 C222 C221 120.1(4) ?
C223 C222 H222 120.0(3) ?
C221 C222 H222 120.0(3) ?
C224 C223 C222 121.1(5) ?
C224 C223 H223 119.5(3) ?
C222 C223 H223 119.5(3) ?
C225 C224 C223 119.7(5) ?
C225 C224 H224 120.1(3) ?
C223 C224 H224 120.1(3) ?
C224 C225 C226 120.5(5) ?
C224 C225 H225 119.7(3) ?
C226 C225 H225 119.7(3) ?
C221 C226 C225 119.6(5) ?
C221 C226 H226 120.2(3) ?
C225 C226 H226 120.2(3) ?
C236 C231 C232 120.3(5) ?
C236 C231 P2 122.9(4) ?
C232 C231 P2 116.8(4) ?
C233 C232 C231 119.9(6) ?
C233 C232 H232 120.1(5) ?
C231 C232 H232 120.1(3) ?
C234 C233 C232 120.3(7) ?
C234 C233 H233 119.8(5) ?
C232 C233 H233 119.8(5) ?
C233 C234 C235 121.3(7) ?
C233 C234 H234 119.4(5) ?
C235 C234 H234 119.4(4) ?
C234 C235 C236 120.3(7) ?
C234 C235 H235 119.8(4) ?
C236 C235 H235 119.8(5) ?
C231 C236 C235 117.9(7) ?
C231 C236 H236 121.0(3) ?
C235 C236 H236 121.0(5) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Rh C1 1.884(6) y
Rh CB3 2.014(5) y
Rh CB1 2.028(5) y
Rh CB2 2.037(5) y
Rh Ru2 2.7324(6) y
Rh Ru1 2.7385(7) y
Rh Ru3 2.7592(10) y
Ru1 C11 1.886(6) y
Ru1 C12 1.910(6) y
Ru1 C13 1.911(6) y
Ru1 CB1 2.155(5) y
Ru1 Ru2 2.8633(6) y
Ru1 Ru3 2.8846(8) y
Ru2 C22 1.892(6) y
Ru2 C21 1.896(6) y
Ru2 C23 1.937(6) y
Ru2 CB2 2.173(5) y
Ru2 Ru3 2.8809(8) y
Ru3 C31 1.905(7) y
Ru3 C33 1.911(7) y
Ru3 C32 1.910(6) y
Ru3 CB3 2.148(6) y
C1 O1 1.114(7) y
C11 O11 1.126(7) y
C12 O12 1.121(7) y
C13 O13 1.138(6) y
C21 O21 1.132(6) y
C22 O22 1.140(6) y
C23 O23 1.130(6) y
C31 O31 1.132(7) y
C32 O32 1.120(6) y
C33 O33 1.136(8) y
CB1 OB1 1.152(6) y
CB2 OB2 1.135(6) y
CB3 OB3 1.171(6) y
P1 N 1.577(3) ?
P1 C111 1.789(4) ?
P1 C121 1.796(4) ?
P1 C131 1.806(4) ?
P2 N 1.582(4) ?
P2 C221 1.794(4) ?
P2 C211 1.799(4) ?
P2 C231 1.807(4) ?
C111 C112 1.381(6) ?
C111 C116 1.397(6) ?
C112 C113 1.383(7) ?
C112 H112 0.93 ?
C113 C114 1.374(8) ?
C113 H113 0.93 ?
C114 C115 1.355(8) ?
C114 H114 0.93 ?
C115 C116 1.376(8) ?
C115 H115 0.93 ?
C116 H116 0.93 ?
C121 C122 1.360(6) ?
C121 C126 1.381(7) ?
C122 C123 1.382(7) ?
C122 H122 0.93 ?
C123 C124 1.348(9) ?
C123 H123 0.93 ?
C124 C125 1.349(10) ?
C124 H124 0.93 ?
C125 C126 1.397(8) ?
C125 H125 0.93 ?
C126 H126 0.93 ?
C131 C136 1.376(7) ?
C131 C132 1.390(6) ?
C132 C133 1.382(7) ?
C132 H132 0.93 ?
C133 C134 1.359(9) ?
C133 H133 0.93 ?
C134 C135 1.358(9) ?
C134 H134 0.93 ?
C135 C136 1.397(7) ?
C135 H135 0.93 ?
C136 H136 0.93 ?
C211 C212 1.377(6) ?
C211 C216 1.385(6) ?
C212 C213 1.381(7) ?
C212 H212 0.93 ?
C213 C214 1.351(7) ?
C213 H213 0.93 ?
C214 C215 1.374(7) ?
C214 H214 0.93 ?
C215 C216 1.374(7) ?
C215 H215 0.93 ?
C216 H216 0.93 ?
C221 C222 1.384(6) ?
C221 C226 1.387(6) ?
C222 C223 1.370(7) ?
C222 H222 0.93 ?
C223 C224 1.368(7) ?
C223 H223 0.93 ?
C224 C225 1.353(8) ?
C224 H224 0.93 ?
C225 C226 1.398(7) ?
C225 H225 0.93 ?
C226 H226 0.93 ?
C231 C236 1.366(7) ?
C231 C232 1.394(7) ?
C232 C233 1.374(8) ?
C232 H232 0.93 ?
C233 C234 1.340(11) ?
C233 H233 0.93 ?
C234 C235 1.353(11) ?
C234 H234 0.93 ?
C235 C236 1.421(9) ?
C235 H235 0.93 ?
C236 H236 0.93 ?
