#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:34:13 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178657 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/68/4076841.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_4076841
loop_
_publ_author_name
'Rowsell, Bryan D.'
'Trepanier, Steven J.'
'Lam, Robert'
'McDonald, Robert'
'Cowie, Martin'
_publ_section_title
;
 Methylene-Bridged Complexes of Rhodium/Ruthenium as Models for Bimetallic
 Fischer−Tropsch Catalysts:  Comparisons with the Rh/Os and
 Ir/Ru Analogues
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3228
_journal_paper_doi               10.1021/om020118j
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C54 H44 B F4 O4 P4 Rh Ru'
_chemical_formula_weight         1171.56
_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_method           'manual editing of SHELXL template'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.6645(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.5765(6)
_cell_length_b                   12.7577(7)
_cell_length_c                   17.4006(10)
_cell_measurement_reflns_used    4710
_cell_measurement_temperature    193(2)
_cell_volume                     2516.8(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_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  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13316
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.815
_exptl_absorpt_correction_T_max  0.9085
_exptl_absorpt_correction_T_min  0.7416
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1180
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         5141
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0255
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0368P)²+1.1895P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0690
_reflns_number_gt                4489
_reflns_number_total             5141
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om020118j.cif
_cod_data_source_block           compound_2b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4076841
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
Rh Rh 0.094288(13) -0.002639(11) -0.038652(8) 0.02288(6) Uani 0.50 1 d P
Ru Ru 0.094288(13) -0.002639(11) -0.038652(8) 0.02288(6) Uani 0.50 1 d P
P1 P 0.20020(4) -0.11951(4) 0.05260(3) 0.02239(11) Uani 1 1 d .
P2 P -0.00818(4) -0.12006(4) 0.13246(3) 0.02159(11) Uani 1 1 d .
O1 O 0.2966(2) -0.01098(19) -0.12337(15) 0.0798(8) Uani 1 1 d .
O2 O 0.10482(18) 0.17554(14) 0.08966(10) 0.0590(5) Uani 1 1 d .
C1 C 0.2209(2) -0.00812(18) -0.09170(14) 0.0409(6) Uani 1 1 d .
C2 C 0.0258(4) 0.1115(3) 0.0724(2) 0.0312(9) Uani 0.50 1 d P
C3 C -0.1067(4) -0.1074(3) -0.0404(2) 0.0305(8) Uani 0.50 1 d P
C4 C 0.10559(16) -0.20039(15) 0.10147(11) 0.0241(4) Uani 1 1 d .
H4A H 0.0676 -0.2557 0.0651 0.029 Uiso 1 1 calc R
H4B H 0.1543 -0.2350 0.1479 0.029 Uiso 1 1 calc R
C11 C 0.28286(16) -0.21666(15) 0.00833(10) 0.0257(4) Uani 1 1 d .
C12 C 0.22077(19) -0.28753(16) -0.04547(12) 0.0329(4) Uani 1 1 d .
H12 H 0.1370 -0.2869 -0.0562 0.040 Uiso 1 1 calc R
C13 C 0.2797(2) -0.35885(18) -0.08345(13) 0.0402(5) Uani 1 1 d .
H13 H 0.2365 -0.4076 -0.1194 0.048 Uiso 1 1 calc R
C14 C 0.4011(2) -0.3591(2) -0.06909(13) 0.0452(6) Uani 1 1 d .
H14 H 0.4418 -0.4078 -0.0953 0.054 Uiso 1 1 calc R
C15 C 0.4631(2) -0.2891(2) -0.01694(14) 0.0492(7) Uani 1 1 d .
H15 H 0.5469 -0.2896 -0.0074 0.059 Uiso 1 1 calc R
C16 C 0.40543(18) -0.2170(2) 0.02248(12) 0.0379(5) Uani 1 1 d .
H16 H 0.4494 -0.1687 0.0585 0.045 Uiso 1 1 calc R
C21 C 0.31039(16) -0.06003(17) 0.12960(12) 0.0296(4) Uani 1 1 d .
C22 C 0.3495(2) -0.1088(2) 0.20145(13) 0.0422(5) Uani 1 1 d .
H22 H 0.3174 -0.1747 0.2117 0.051 Uiso 1 1 calc R
C23 C 0.4357(2) -0.0618(3) 0.25861(15) 0.0568(7) Uani 1 1 d .
H23 H 0.4602 -0.0944 0.3083 0.068 Uiso 1 1 calc R
C24 C 0.4853(2) 0.0322(3) 0.24308(17) 0.0578(7) Uani 1 1 d .
H24 H 0.5438 0.0645 0.2821 0.069 Uiso 1 1 calc R
C25 C 0.4500(2) 0.0787(2) 0.17137(17) 0.0552(7) Uani 1 1 d .
H25 H 0.4863 0.1420 0.1601 0.066 Uiso 1 1 calc R
C26 C 0.3616(2) 0.0342(2) 0.11485(15) 0.0428(5) Uani 1 1 d .
H26 H 0.3362 0.0684 0.0659 0.051 Uiso 1 1 calc R
C31 C -0.11634(16) -0.21559(15) 0.15159(11) 0.0241(4) Uani 1 1 d .
C32 C -0.16145(16) -0.28896(16) 0.09419(11) 0.0287(4) Uani 1 1 d .
H32 H -0.1312 -0.2926 0.0474 0.034 Uiso 1 1 calc R
C33 C -0.25024(18) -0.35661(17) 0.10508(13) 0.0348(5) Uani 1 1 d .
H33 H -0.2801 -0.4069 0.0658 0.042 Uiso 1 1 calc R
C34 C -0.2956(2) -0.3516(2) 0.17235(14) 0.0443(6) Uani 1 1 d .
H34 H -0.3567 -0.3981 0.1795 0.053 Uiso 1 1 calc R
C35 C -0.2518(2) -0.2787(2) 0.22919(15) 0.0489(6) Uani 1 1 d .
H35 H -0.2831 -0.2750 0.2756 0.059 Uiso 1 1 calc R
C36 C -0.16270(19) -0.21064(19) 0.21940(12) 0.0367(5) Uani 1 1 d .
H36 H -0.1332 -0.1606 0.2589 0.044 Uiso 1 1 calc R
C41 C 0.06078(17) -0.07102(17) 0.22903(11) 0.0289(4) Uani 1 1 d .
C42 C 0.1227(2) -0.1384(2) 0.28587(12) 0.0421(5) Uani 1 1 d .
H42 H 0.1264 -0.2112 0.2752 0.051 Uiso 1 1 calc R
C43 C 0.1791(2) -0.0989(3) 0.35822(13) 0.0575(8) Uani 1 1 d .
H43 H 0.2230 -0.1447 0.3963 0.069 Uiso 1 1 calc R
C44 C 0.1718(3) 0.0056(3) 0.37513(16) 0.0629(9) Uani 1 1 d .
H44 H 0.2109 0.0322 0.4246 0.075 Uiso 1 1 calc R
C45 C 0.1083(3) 0.0709(3) 0.32057(17) 0.0602(8) Uani 1 1 d .
H45 H 0.1017 0.1430 0.3328 0.072 Uiso 1 1 calc R
C46 C 0.0529(2) 0.0339(2) 0.24721(14) 0.0416(5) Uani 1 1 d .
H46 H 0.0097 0.0807 0.2096 0.050 Uiso 1 1 calc R
F1 F -0.1135(3) 0.5116(3) -0.0035(4) 0.0937(15) Uani 0.50 1 d P
F2 F 0.0593(3) 0.5668(2) 0.0640(2) 0.0623(9) Uani 0.50 1 d P
F3 F 0.0340(3) 0.3962(2) 0.03663(16) 0.0502(7) Uani 0.50 1 d P
F4 F 0.0532(6) 0.5093(3) -0.0583(3) 0.1017(17) Uani 0.50 1 d P
B B 0.0000 0.5000 0.0000 0.0479(10) Uani 1 2 d S
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Rh C3 114.73(15) . 3
C1 Rh C2 113.57(14) . 3
C3 Rh C2 131.69(17) 3 3
C1 Rh P2 86.96(7) . 3
C3 Rh P2 88.32(12) 3 3
C2 Rh P2 95.05(12) 3 3
C1 Rh P1 87.47(7) . .
C3 Rh P1 91.51(12) 3 .
C2 Rh P1 89.71(12) 3 .
P2 Rh P1 173.781(17) 3 .
C1 Rh Ru 179.13(8) . 3
C3 Rh Ru 66.13(12) 3 3
C2 Rh Ru 65.56(12) 3 3
P2 Rh Ru 93.203(13) 3 3
P1 Rh Ru 92.409(13) . 3
C1 Rh Rh 179.13(8) . 3
C3 Rh Rh 66.13(12) 3 3
C2 Rh Rh 65.56(12) 3 3
P2 Rh Rh 93.203(13) 3 3
P1 Rh Rh 92.409(13) . 3
Ru Rh Rh 0.000(4) 3 3
C21 P1 C11 104.15(9) . .
C21 P1 C4 106.79(9) . .
C11 P1 C4 103.09(9) . .
C21 P1 Rh 115.34(7) . .
C11 P1 Rh 113.18(6) . .
C4 P1 Rh 113.17(6) . .
C41 P2 C31 104.49(9) . .
C41 P2 C4 104.87(9) . .
C31 P2 C4 103.91(8) . .
C41 P2 Ru 117.44(7) . 3
C31 P2 Ru 111.32(6) . 3
C4 P2 Ru 113.56(6) . 3
C41 P2 Rh 117.44(7) . 3
C31 P2 Rh 111.32(6) . 3
C4 P2 Rh 113.56(6) . 3
Ru P2 Rh 0.000(10) 3 3
C2 O2 C3 58.0(3) . 3
O1 C1 Rh 179.7(3) . .
O2 C2 Ru 175.3(3) . 3
O2 C2 Rh 175.3(3) . 3
Ru C2 Rh 0.000(13) 3 3
O2 C3 Rh 174.8(3) 3 3
O2 C3 Ru 174.8(3) 3 3
Rh C3 Ru 0.000(8) 3 3
P2 C4 P1 110.71(10) . .
C16 C11 C12 119.14(19) . .
C16 C11 P1 121.98(16) . .
C12 C11 P1 118.72(15) . .
C13 C12 C11 120.7(2) . .
C14 C13 C12 119.9(2) . .
C15 C14 C13 119.9(2) . .
C14 C15 C16 121.2(2) . .
C11 C16 C15 119.2(2) . .
C26 C21 C22 118.8(2) . .
C26 C21 P1 119.20(16) . .
C22 C21 P1 121.93(17) . .
C21 C22 C23 120.4(2) . .
C24 C23 C22 120.0(2) . .
C25 C24 C23 119.7(2) . .
C24 C25 C26 120.7(3) . .
C21 C26 C25 120.3(2) . .
C32 C31 C36 119.06(18) . .
C32 C31 P2 119.34(14) . .
C36 C31 P2 121.34(15) . .
C33 C32 C31 120.17(18) . .
C34 C33 C32 120.6(2) . .
C35 C34 C33 119.5(2) . .
C34 C35 C36 120.7(2) . .
C35 C36 C31 120.0(2) . .
C46 C41 C42 118.8(2) . .
C46 C41 P2 120.49(17) . .
C42 C41 P2 120.67(17) . .
C43 C42 C41 120.0(3) . .
C44 C43 C42 120.6(3) . .
C45 C44 C43 119.6(2) . .
C44 C45 C46 121.1(3) . .
C41 C46 C45 120.0(3) . .
F4 B F1 125.7(4) . .
F4 B F2 108.7(3) . .
F1 B F2 106.4(2) . .
F4 B F3 106.9(2) . .
F1 B F3 107.2(3) . .
F2 B F3 98.63(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh C1 1.885(2) .
Rh C3 1.950(4) 3
Rh C2 1.969(4) 3
Rh P2 2.3346(5) 3
Rh P1 2.3368(5) .
Rh Ru 2.7870(3) 3
Rh Rh 2.7870(3) 3
P1 C21 1.8185(19) .
P1 C11 1.8285(19) .
P1 C4 1.8342(19) .
P2 C41 1.8193(19) .
P2 C31 1.8255(19) .
P2 C4 1.8337(19) .
P2 Ru 2.3346(5) 3
P2 Rh 2.3346(5) 3
O1 C1 1.126(3) .
O2 C2 1.218(4) .
O2 C3 1.224(4) 3
C2 Ru 1.969(4) 3
C2 Rh 1.969(4) 3
C3 O2 1.224(4) 3
C3 Rh 1.950(4) 3
C3 Ru 1.950(4) 3
C11 C16 1.390(3) .
C11 C12 1.392(3) .
C12 C13 1.383(3) .
C13 C14 1.377(3) .
C14 C15 1.368(4) .
C15 C16 1.396(3) .
C21 C26 1.387(3) .
C21 C22 1.388(3) .
C22 C23 1.394(3) .
C23 C24 1.379(4) .
C24 C25 1.367(4) .
C25 C26 1.389(3) .
C31 C32 1.391(3) .
C31 C36 1.393(3) .
C32 C33 1.384(3) .
C33 C34 1.378(3) .
C34 C35 1.378(4) .
C35 C36 1.385(3) .
C41 C46 1.383(3) .
C41 C42 1.394(3) .
C42 C43 1.390(3) .
C43 C44 1.371(4) .
C44 C45 1.362(5) .
C45 C46 1.390(3) .
F1 B 1.311(4) .
F2 B 1.459(3) .
F3 B 1.488(3) .
F4 B 1.295(4) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 Rh P1 C21 83.39(11) . . . .
C3 Rh P1 C21 -31.30(14) 3 . . .
C2 Rh P1 C21 -163.00(14) 3 . . .
P2 Rh P1 C21 57.00(17) 3 . . .
Ru Rh P1 C21 -97.48(7) 3 . . .
Rh Rh P1 C21 -97.48(7) 3 . . .
C1 Rh P1 C11 -36.41(11) . . . .
C3 Rh P1 C11 -151.10(14) 3 . . .
C2 Rh P1 C11 77.20(14) 3 . . .
P2 Rh P1 C11 -62.80(18) 3 . . .
Ru Rh P1 C11 142.73(7) 3 . . .
Rh Rh P1 C11 142.73(7) 3 . . .
C1 Rh P1 C4 -153.23(11) . . . .
C3 Rh P1 C4 92.08(14) 3 . . .
C2 Rh P1 C4 -39.62(14) 3 . . .
P2 Rh P1 C4 -180(12) 3 . . .
Ru Rh P1 C4 25.91(7) 3 . . .
Rh Rh P1 C4 25.91(7) 3 . . .
C3 Rh C1 O1 -34(54) 3 . . .
C2 Rh C1 O1 147(100) 3 . . .
P2 Rh C1 O1 52(54) 3 . . .
P1 Rh C1 O1 -125(54) . . . .
Ru Rh C1 O1 153(100) 3 . . .
Rh Rh C1 O1 153(100) 3 . . .
C3 O2 C2 Ru 2(4) 3 . . 3
C3 O2 C2 Rh 2(4) 3 . . 3
C41 P2 C4 P1 -86.98(11) . . . .
C31 P2 C4 P1 163.60(9) . . . .
Ru P2 C4 P1 42.50(11) 3 . . .
Rh P2 C4 P1 42.50(11) 3 . . .
C21 P1 C4 P2 82.72(11) . . . .
C11 P1 C4 P2 -167.87(9) . . . .
Rh P1 C4 P2 -45.25(11) . . . .
C21 P1 C11 C16 -14.15(19) . . . .
C4 P1 C11 C16 -125.52(17) . . . .
Rh P1 C11 C16 111.86(16) . . . .
C21 P1 C11 C12 170.53(16) . . . .
C4 P1 C11 C12 59.16(17) . . . .
Rh P1 C11 C12 -63.45(16) . . . .
C16 C11 C12 C13 1.2(3) . . . .
P1 C11 C12 C13 176.65(16) . . . .
C11 C12 C13 C14 -1.0(3) . . . .
C12 C13 C14 C15 0.3(3) . . . .
C13 C14 C15 C16 0.1(4) . . . .
C12 C11 C16 C15 -0.7(3) . . . .
P1 C11 C16 C15 -176.01(17) . . . .
C14 C15 C16 C11 0.0(4) . . . .
C11 P1 C21 C26 97.48(19) . . . .
C4 P1 C21 C26 -153.86(17) . . . .
Rh P1 C21 C26 -27.16(19) . . . .
C11 P1 C21 C22 -78.99(19) . . . .
C4 P1 C21 C22 29.7(2) . . . .
Rh P1 C21 C22 156.37(16) . . . .
C26 C21 C22 C23 2.4(4) . . . .
P1 C21 C22 C23 178.84(19) . . . .
C21 C22 C23 C24 -2.1(4) . . . .
C22 C23 C24 C25 -0.2(5) . . . .
C23 C24 C25 C26 2.3(5) . . . .
C22 C21 C26 C25 -0.3(4) . . . .
P1 C21 C26 C25 -176.93(19) . . . .
C24 C25 C26 C21 -2.0(4) . . . .
C41 P2 C31 C32 -162.02(15) . . . .
C4 P2 C31 C32 -52.32(17) . . . .
Ru P2 C31 C32 70.27(16) 3 . . .
Rh P2 C31 C32 70.27(16) 3 . . .
C41 P2 C31 C36 23.93(19) . . . .
C4 P2 C31 C36 133.62(17) . . . .
Ru P2 C31 C36 -103.79(16) 3 . . .
Rh P2 C31 C36 -103.79(16) 3 . . .
C36 C31 C32 C33 -0.7(3) . . . .
P2 C31 C32 C33 -174.90(15) . . . .
C31 C32 C33 C34 0.6(3) . . . .
C32 C33 C34 C35 -0.1(4) . . . .
C33 C34 C35 C36 -0.1(4) . . . .
C34 C35 C36 C31 -0.1(4) . . . .
C32 C31 C36 C35 0.5(3) . . . .
P2 C31 C36 C35 174.54(19) . . . .
C31 P2 C41 C46 -118.52(17) . . . .
C4 P2 C41 C46 132.48(17) . . . .
Ru P2 C41 C46 5.34(19) 3 . . .
Rh P2 C41 C46 5.34(19) 3 . . .
C31 P2 C41 C42 61.70(18) . . . .
C4 P2 C41 C42 -47.30(19) . . . .
Ru P2 C41 C42 -174.44(15) 3 . . .
Rh P2 C41 C42 -174.44(15) 3 . . .
C46 C41 C42 C43 -2.5(3) . . . .
P2 C41 C42 C43 177.29(18) . . . .
C41 C42 C43 C44 1.7(4) . . . .
C42 C43 C44 C45 0.3(4) . . . .
C43 C44 C45 C46 -1.5(4) . . . .
C42 C41 C46 C45 1.3(3) . . . .
P2 C41 C46 C45 -178.49(19) . . . .
C44 C45 C46 C41 0.7(4) . . . .
P1 Rh Ru C1 98(5) . . 3 3
P1 Rh Ru C2 91.41(13) . . 3 .
P1 Rh Ru C3 -89.42(13) . . 3 .
P2 Rh Ru C1 -80(5) 3 . 3 3
P2 Rh Ru C2 -85.91(13) 3 . 3 .
P2 Rh Ru C3 93.26(13) 3 . 3 .
C1 Rh Ru C2 174(20) . . 3 .
C1 Rh Ru C3 -7(5) . . 3 .
Ru Rh P2 C4 20.55(7) 3 . 3 3
Ru Rh P2 C31 137.40(7) 3 . 3 3
Ru Rh P2 C41 -102.26(7) 3 . 3 3
P1 Rh P2 C4 -133.91(16) . . 3 3
P1 Rh P2 C31 -17.06(18) . . 3 3
P1 Rh P2 C41 103.29(17) . . 3 3
C1 Rh P2 C4 -160.31(11) . . 3 3
C1 Rh P2 C31 -43.46(11) . . 3 3
C1 Rh P2 C41 76.89(11) . . 3 3
C2 Ru P2 C4 -86.28(14) . 3 . .
C2 Ru P2 C31 156.87(14) . 3 . .
C2 Ru P2 C41 36.52(14) . 3 . .
C3 Ru P2 C4 45.43(14) . 3 . .
C3 Ru P2 C31 -71.42(14) . 3 . .
C3 Ru P2 C41 168.24(14) . 3 . .
