#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:12:27 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179831 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/27/7012762.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_7012762
loop_
_publ_author_name
'Sergey P. Tunik'
'Igor O. Koshevoy'
'Anthony J. Poë'
'David H. Farrar'
'Ebbe Nordlander'
'Matti Haukka'
'Tapani A. Pakkanen'
_publ_section_title
;
 Chiral hexarhodium carbonyl clusters containing heterobidentate
 phosphine ligands; a structural and reactivity study
;
_journal_issue                   12
_journal_name_full               'Dalton Trans.'
_journal_page_first              2457
_journal_page_last               2467
_journal_paper_doi               10.1039/b300951c
_journal_year                    2003
_chemical_formula_sum            'C31 H14 N O14 P Rh6'
_chemical_formula_weight         1272.86
_chemical_name_common            Rh6(CO)14(PPh2(NC5H5))
_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-97
_cell_angle_alpha                91.53(3)
_cell_angle_beta                 94.34(3)
_cell_angle_gamma                105.66(3)
_cell_formula_units_Z            2
_cell_length_a                   9.906(2)
_cell_length_b                   11.924(2)
_cell_length_c                   15.821(3)
_cell_measurement_reflns_used    27652
_cell_measurement_temperature    100(2)
_cell_volume                     1792.1(6)
_computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'KappaCCD server software (Nonius, 1997)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL V5.1'
_computing_publication_material  'Bruker SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offsets'
_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  0.1310
_diffrn_reflns_av_sigmaI/netI    0.1617
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27652
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         4.17
_exptl_absorpt_coefficient_mu    2.811
_exptl_absorpt_correction_T_max  0.8959
_exptl_absorpt_correction_T_min  0.7290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Denzo-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.098
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.176
_refine_ls_extinction_coef       0.00050(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.919
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         8196
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.919
_refine_ls_R_factor_all          0.1490
_refine_ls_R_factor_gt           0.0503
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0276P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.1050
_reflns_number_gt                3849
_reflns_number_total             8196
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b300951c.txt
_cod_data_source_block           structure_12
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1792.2(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012762
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh10 Rh -0.02949(8) 0.17381(6) 0.26578(4) 0.0323(2) Uani 1 1 d . . .
Rh20 Rh 0.20650(8) 0.30494(6) 0.19436(4) 0.02909(19) Uani 1 1 d . . .
Rh21 Rh 0.21416(8) 0.28593(6) 0.36445(4) 0.0308(2) Uani 1 1 d . . .
Rh30 Rh 0.12887(8) 0.06165(6) 0.17536(4) 0.0314(2) Uani 1 1 d . . .
Rh31 Rh 0.13170(8) 0.04948(6) 0.35096(4) 0.0324(2) Uani 1 1 d . . .
Rh40 Rh 0.36854(8) 0.17453(6) 0.27439(4) 0.0311(2) Uani 1 1 d . . .
C10 C 0.3841(10) 0.3602(8) 0.2907(5) 0.037(2) Uani 1 1 d . . .
O10 O 0.4849(6) 0.4417(5) 0.3024(3) 0.0337(15) Uani 1 1 d . . .
C20 C 0.0172(10) 0.1949(7) 0.1323(5) 0.035(2) Uani 1 1 d . . .
O20 O -0.0516(6) 0.1915(5) 0.0695(3) 0.0364(15) Uani 1 1 d . . .
C21 C 0.0275(9) 0.1811(8) 0.4040(5) 0.036(2) Uani 1 1 d . . .
O21 O -0.0387(6) 0.1821(5) 0.4623(3) 0.0410(17) Uani 1 1 d . . .
C30 C 0.2580(10) -0.0112(9) 0.2637(5) 0.039(2) Uani 1 1 d . . .
O30 O 0.3002(7) -0.0946(6) 0.2610(3) 0.0394(16) Uani 1 1 d . . .
C40 C -0.1943(11) 0.0451(8) 0.2517(5) 0.041(2) Uani 1 1 d . . .
O40 O -0.2943(7) -0.0319(6) 0.2444(4) 0.061(2) Uani 1 1 d . . .
C50 C -0.1423(10) 0.2760(8) 0.2799(5) 0.036(2) Uani 1 1 d . . .
O50 O -0.2275(7) 0.3231(5) 0.2941(4) 0.0422(17) Uani 1 1 d . . .
C60 C 0.3054(9) 0.3449(7) 0.0971(5) 0.035(2) Uani 1 1 d . . .
O60 O 0.3688(7) 0.3695(6) 0.0390(3) 0.0462(18) Uani 1 1 d . . .
C61 C 0.3297(10) 0.3017(8) 0.4672(6) 0.039(2) Uani 1 1 d . . .
O61 O 0.4046(7) 0.3135(6) 0.5282(4) 0.0545(19) Uani 1 1 d . . .
C70 C -0.0129(10) -0.0804(8) 0.1441(5) 0.037(2) Uani 1 1 d . . .
O70 O -0.0951(7) -0.1645(6) 0.1263(4) 0.0517(19) Uani 1 1 d . . .
C71 C -0.0084(10) -0.0912(8) 0.3528(5) 0.038(2) Uani 1 1 d . . .
O71 O -0.0927(7) -0.1809(6) 0.3537(3) 0.0479(18) Uani 1 1 d . . .
C80 C 0.2156(10) 0.0577(7) 0.0736(6) 0.037(2) Uani 1 1 d . . .
O80 O 0.2640(7) 0.0552(6) 0.0098(4) 0.0472(18) Uani 1 1 d . . .
C81 C 0.2236(10) 0.0334(8) 0.4557(6) 0.041(3) Uani 1 1 d . . .
O81 O 0.2843(7) 0.0296(6) 0.5218(4) 0.0496(18) Uani 1 1 d . . .
C91 C 0.5063(10) 0.1645(8) 0.3625(6) 0.037(2) Uani 1 1 d . . .
O91 O 0.5856(7) 0.1514(6) 0.4148(4) 0.0522(19) Uani 1 1 d . . .
C90 C 0.4884(9) 0.1741(8) 0.1881(5) 0.036(2) Uani 1 1 d . . .
O90 O 0.5633(7) 0.1747(6) 0.1358(4) 0.0472(18) Uani 1 1 d . . .
P1 P 0.1623(2) 0.4840(2) 0.21294(13) 0.0315(6) Uani 1 1 d . . .
C111 C -0.0145(9) 0.4982(7) 0.1867(5) 0.032(2) Uani 1 1 d . . .
C112 C -0.0808(10) 0.5617(8) 0.2370(6) 0.041(2) Uani 1 1 d . . .
H112 H -0.0320 0.5994 0.2885 0.049 Uiso 1 1 calc R . .
C113 C -0.2124(10) 0.5717(8) 0.2153(5) 0.040(2) Uani 1 1 d . . .
H113 H -0.2553 0.6132 0.2522 0.048 Uiso 1 1 calc R . .
C114 C -0.2843(10) 0.5207(8) 0.1384(5) 0.043(3) Uani 1 1 d . . .
H114 H -0.3751 0.5292 0.1218 0.052 Uiso 1 1 calc R . .
C115 C -0.2208(10) 0.4573(8) 0.0865(5) 0.042(2) Uani 1 1 d . . .
H115 H -0.2694 0.4213 0.0345 0.050 Uiso 1 1 calc R . .
C116 C -0.0850(9) 0.4460(8) 0.1103(5) 0.037(2) Uani 1 1 d . . .
H116 H -0.0421 0.4030 0.0745 0.045 Uiso 1 1 calc R . .
C121 C 0.2690(9) 0.6088(7) 0.1603(5) 0.029(2) Uani 1 1 d . . .
C122 C 0.2097(10) 0.6816(7) 0.1111(5) 0.035(2) Uani 1 1 d . . .
H122 H 0.1102 0.6658 0.1028 0.041 Uiso 1 1 calc R . .
C123 C 0.2937(10) 0.7762(8) 0.0744(5) 0.039(2) Uani 1 1 d . . .
H123 H 0.2527 0.8248 0.0403 0.047 Uiso 1 1 calc R . .
C124 C 0.4386(10) 0.7994(8) 0.0879(5) 0.042(2) Uani 1 1 d . . .
H124 H 0.4967 0.8639 0.0620 0.051 Uiso 1 1 calc R . .
C125 C 0.4999(10) 0.7317(8) 0.1375(5) 0.040(2) Uani 1 1 d . . .
H125 H 0.5993 0.7503 0.1477 0.048 Uiso 1 1 calc R . .
C126 C 0.4155(10) 0.6362(8) 0.1727(5) 0.043(3) Uani 1 1 d . . .
H126 H 0.4580 0.5879 0.2061 0.051 Uiso 1 1 calc R . .
C131 C 0.1954(9) 0.5372(8) 0.3252(5) 0.032(2) Uani 1 1 d . . .
C132 C 0.2243(9) 0.6543(8) 0.3464(5) 0.035(2) Uani 1 1 d . . .
H132 H 0.2430 0.7097 0.3037 0.042 Uiso 1 1 calc R . .
C133 C 0.2258(9) 0.6911(8) 0.4301(5) 0.042(3) Uani 1 1 d . . .
H133 H 0.2470 0.7719 0.4457 0.051 Uiso 1 1 calc R . .
C134 C 0.1967(10) 0.6102(9) 0.4900(6) 0.044(3) Uani 1 1 d . . .
H134 H 0.1898 0.6331 0.5472 0.053 Uiso 1 1 calc R . .
C135 C 0.1770(10) 0.4932(8) 0.4661(5) 0.044(3) Uani 1 1 d . . .
H135 H 0.1614 0.4375 0.5087 0.053 Uiso 1 1 calc R . .
N1 N 0.1792(7) 0.4555(6) 0.3854(4) 0.0293(17) Uani 1 1 d . . .
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'
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
_geom_angle_publ_flag
C50 Rh10 C40 90.0(4) . . ?
C50 Rh10 C20 102.3(3) . . ?
C40 Rh10 C20 99.7(3) . . ?
C50 Rh10 C21 91.3(4) . . ?
C40 Rh10 C21 102.3(3) . . ?
C20 Rh10 C21 154.1(3) . . ?
C50 Rh10 Rh31 144.1(2) . . ?
C40 Rh10 Rh31 94.2(3) . . ?
C20 Rh10 Rh31 112.1(3) . . ?
C21 Rh10 Rh31 53.0(3) . . ?
C50 Rh10 Rh21 101.9(3) . . ?
C40 Rh10 Rh21 147.5(3) . . ?
C20 Rh10 Rh21 107.0(2) . . ?
C21 Rh10 Rh21 48.0(2) . . ?
Rh31 Rh10 Rh21 58.85(3) . . ?
C50 Rh10 Rh30 154.8(2) . . ?
C40 Rh10 Rh30 93.8(3) . . ?
C20 Rh10 Rh30 52.6(2) . . ?
C21 Rh10 Rh30 112.2(3) . . ?
Rh31 Rh10 Rh30 60.47(3) . . ?
Rh21 Rh10 Rh30 88.11(4) . . ?
C50 Rh10 Rh20 105.1(3) . . ?
C40 Rh10 Rh20 147.0(3) . . ?
C20 Rh10 Rh20 49.0(2) . . ?
C21 Rh10 Rh20 106.4(2) . . ?
Rh31 Rh10 Rh20 90.37(4) . . ?
Rh21 Rh10 Rh20 58.44(3) . . ?
Rh30 Rh10 Rh20 60.54(3) . . ?
C60 Rh20 C20 97.9(3) . . ?
C60 Rh20 C10 98.5(4) . . ?
C20 Rh20 C10 157.3(3) . . ?
C60 Rh20 P1 94.8(3) . . ?
C20 Rh20 P1 105.0(3) . . ?
C10 Rh20 P1 89.2(2) . . ?
C60 Rh20 Rh21 148.6(3) . . ?
C20 Rh20 Rh21 111.4(2) . . ?
C10 Rh20 Rh21 50.3(2) . . ?
P1 Rh20 Rh21 88.72(6) . . ?
C60 Rh20 Rh10 149.0(2) . . ?
C20 Rh20 Rh10 51.3(2) . . ?
C10 Rh20 Rh10 110.3(2) . . ?
P1 Rh20 Rh10 97.01(7) . . ?
Rh21 Rh20 Rh10 60.51(4) . . ?
C60 Rh20 Rh40 99.8(3) . . ?
C20 Rh20 Rh40 111.1(3) . . ?
C10 Rh20 Rh40 50.5(2) . . ?
P1 Rh20 Rh40 138.55(7) . . ?
Rh21 Rh20 Rh40 59.70(3) . . ?
Rh10 Rh20 Rh40 90.06(4) . . ?
C60 Rh20 Rh30 100.8(3) . . ?
C20 Rh20 Rh30 52.5(3) . . ?
C10 Rh20 Rh30 108.7(2) . . ?
P1 Rh20 Rh30 153.99(7) . . ?
Rh21 Rh20 Rh30 88.73(4) . . ?
Rh10 Rh20 Rh30 59.60(4) . . ?
Rh40 Rh20 Rh30 58.82(4) . . ?
C61 Rh21 C21 99.2(3) . . ?
C61 Rh21 C10 94.3(4) . . ?
C21 Rh21 C10 162.8(3) . . ?
C61 Rh21 N1 92.3(3) . . ?
C21 Rh21 N1 99.6(3) . . ?
C10 Rh21 N1 90.4(3) . . ?
C61 Rh21 Rh20 146.0(3) . . ?
C21 Rh21 Rh20 113.0(2) . . ?
C10 Rh21 Rh20 52.1(2) . . ?
N1 Rh21 Rh20 92.63(16) . . ?
C61 Rh21 Rh31 97.4(3) . . ?
C21 Rh21 Rh31 54.7(3) . . ?
C10 Rh21 Rh31 113.2(2) . . ?
N1 Rh21 Rh31 153.58(18) . . ?
Rh20 Rh21 Rh31 92.96(4) . . ?
C61 Rh21 Rh40 95.4(3) . . ?
C21 Rh21 Rh40 116.1(3) . . ?
C10 Rh21 Rh40 51.6(2) . . ?
N1 Rh21 Rh40 141.66(17) . . ?
Rh20 Rh21 Rh40 61.59(3) . . ?
Rh31 Rh21 Rh40 61.87(4) . . ?
C61 Rh21 Rh10 149.9(3) . . ?
C21 Rh21 Rh10 52.0(2) . . ?
C10 Rh21 Rh10 112.6(2) . . ?
N1 Rh21 Rh10 100.38(18) . . ?
Rh20 Rh21 Rh10 61.05(4) . . ?
Rh31 Rh21 Rh10 60.56(4) . . ?
Rh40 Rh21 Rh10 91.44(4) . . ?
C80 Rh30 C70 92.7(4) . . ?
C80 Rh30 C30 102.1(4) . . ?
C70 Rh30 C30 97.1(4) . . ?
C80 Rh30 C20 94.5(3) . . ?
C70 Rh30 C20 101.0(4) . . ?
C30 Rh30 C20 154.7(3) . . ?
C80 Rh30 Rh40 96.4(3) . . ?
C70 Rh30 Rh40 148.2(3) . . ?
C30 Rh30 Rh40 51.2(3) . . ?
C20 Rh30 Rh40 108.5(2) . . ?
C80 Rh30 Rh10 144.8(3) . . ?
C70 Rh30 Rh10 98.8(3) . . ?
C30 Rh30 Rh10 109.3(2) . . ?
C20 Rh30 Rh10 50.7(2) . . ?
Rh40 Rh30 Rh10 91.12(4) . . ?
C80 Rh30 Rh31 150.8(3) . . ?
C70 Rh30 Rh31 98.6(2) . . ?
C30 Rh30 Rh31 50.0(2) . . ?
C20 Rh30 Rh31 109.5(2) . . ?
Rh40 Rh30 Rh31 60.89(4) . . ?
Rh10 Rh30 Rh31 59.63(3) . . ?
C80 Rh30 Rh20 94.6(3) . . ?
C70 Rh30 Rh20 149.0(3) . . ?
C30 Rh30 Rh20 110.7(3) . . ?
C20 Rh30 Rh20 48.4(2) . . ?
Rh40 Rh30 Rh20 60.36(4) . . ?
Rh10 Rh30 Rh20 59.87(3) . . ?
Rh31 Rh30 Rh20 89.50(4) . . ?
C71 Rh31 C81 95.0(4) . . ?
C71 Rh31 C30 96.8(4) . . ?
C81 Rh31 C30 101.5(4) . . ?
C71 Rh31 C21 102.6(4) . . ?
C81 Rh31 C21 93.8(4) . . ?
C30 Rh31 C21 154.1(3) . . ?
C71 Rh31 Rh21 150.3(3) . . ?
C81 Rh31 Rh21 93.8(3) . . ?
C30 Rh31 Rh21 109.2(3) . . ?
C21 Rh31 Rh21 48.4(2) . . ?
C71 Rh31 Rh10 97.6(3) . . ?
C81 Rh31 Rh10 144.4(3) . . ?
C30 Rh31 Rh10 109.9(2) . . ?
C21 Rh31 Rh10 51.0(2) . . ?
Rh21 Rh31 Rh10 60.59(4) . . ?
C71 Rh31 Rh30 97.3(3) . . ?
C81 Rh31 Rh30 150.3(3) . . ?
C30 Rh31 Rh30 50.3(2) . . ?
C21 Rh31 Rh30 109.6(2) . . ?
Rh21 Rh31 Rh30 88.76(4) . . ?
Rh10 Rh31 Rh30 59.91(3) . . ?
C71 Rh31 Rh40 146.5(3) . . ?
C81 Rh31 Rh40 97.5(3) . . ?
C30 Rh31 Rh40 50.3(3) . . ?
C21 Rh31 Rh40 107.4(2) . . ?
Rh21 Rh31 Rh40 59.38(4) . . ?
Rh10 Rh31 Rh40 90.03(4) . . ?
Rh30 Rh31 Rh40 58.76(4) . . ?
C90 Rh40 C91 93.7(4) . . ?
C90 Rh40 C10 101.5(4) . . ?
C91 Rh40 C10 98.7(4) . . ?
C90 Rh40 C30 97.4(4) . . ?
C91 Rh40 C30 96.5(4) . . ?
C10 Rh40 C30 154.8(4) . . ?
C90 Rh40 Rh21 149.9(3) . . ?
C91 Rh40 Rh21 99.2(3) . . ?
C10 Rh40 Rh21 49.8(2) . . ?
C30 Rh40 Rh21 108.0(3) . . ?
C90 Rh40 Rh30 94.4(3) . . ?
C91 Rh40 Rh30 147.2(3) . . ?
C10 Rh40 Rh30 110.6(2) . . ?
C30 Rh40 Rh30 51.0(3) . . ?
Rh21 Rh40 Rh30 89.33(4) . . ?
C90 Rh40 Rh20 97.5(3) . . ?
C91 Rh40 Rh20 148.7(3) . . ?
C10 Rh40 Rh20 50.4(2) . . ?
C30 Rh40 Rh20 110.9(3) . . ?
Rh21 Rh40 Rh20 58.72(3) . . ?
Rh30 Rh40 Rh20 60.82(3) . . ?
C90 Rh40 Rh31 146.2(3) . . ?
C91 Rh40 Rh31 97.3(2) . . ?
C10 Rh40 Rh31 108.3(2) . . ?
C30 Rh40 Rh31 49.7(2) . . ?
Rh21 Rh40 Rh31 58.74(3) . . ?
Rh30 Rh40 Rh31 60.35(3) . . ?
Rh20 Rh40 Rh31 89.46(4) . . ?
O10 C10 Rh21 133.3(6) . . ?
O10 C10 Rh20 135.7(7) . . ?
Rh21 C10 Rh20 77.7(3) . . ?
O10 C10 Rh40 130.2(7) . . ?
Rh21 C10 Rh40 78.6(3) . . ?
Rh20 C10 Rh40 79.1(3) . . ?
O20 C20 Rh20 137.7(7) . . ?
O20 C20 Rh10 133.6(7) . . ?
Rh20 C20 Rh10 79.7(3) . . ?
O20 C20 Rh30 127.0(7) . . ?
Rh20 C20 Rh30 79.1(3) . . ?
Rh10 C20 Rh30 76.7(3) . . ?
O21 C21 Rh21 135.7(7) . . ?
O21 C21 Rh10 131.8(7) . . ?
Rh21 C21 Rh10 80.0(3) . . ?
O21 C21 Rh31 133.2(7) . . ?
Rh21 C21 Rh31 76.9(3) . . ?
Rh10 C21 Rh31 76.0(3) . . ?
O30 C30 Rh31 132.6(7) . . ?
O30 C30 Rh30 133.8(7) . . ?
Rh31 C30 Rh30 79.8(4) . . ?
O30 C30 Rh40 131.3(8) . . ?
Rh31 C30 Rh40 80.1(4) . . ?
Rh30 C30 Rh40 77.8(3) . . ?
O40 C40 Rh10 178.9(9) . . ?
O50 C50 Rh10 168.5(8) . . ?
O60 C60 Rh20 178.3(8) . . ?
O61 C61 Rh21 177.3(8) . . ?
O70 C70 Rh30 179.1(9) . . ?
O71 C71 Rh31 177.9(9) . . ?
O80 C80 Rh30 177.5(8) . . ?
O81 C81 Rh31 176.4(8) . . ?
O91 C91 Rh40 175.9(8) . . ?
O90 C90 Rh40 179.1(8) . . ?
C111 P1 C121 101.3(4) . . ?
C111 P1 C131 101.6(4) . . ?
C121 P1 C131 101.5(4) . . ?
C111 P1 Rh20 119.7(3) . . ?
C121 P1 Rh20 118.5(3) . . ?
C131 P1 Rh20 111.5(3) . . ?
C116 C111 C112 118.4(9) . . ?
C116 C111 P1 117.6(7) . . ?
C112 C111 P1 124.0(7) . . ?
C113 C112 C111 122.6(8) . . ?
C112 C113 C114 119.8(9) . . ?
C115 C114 C113 119.0(10) . . ?
C114 C115 C116 120.8(8) . . ?
C111 C116 C115 119.4(8) . . ?
C122 C121 C126 117.9(8) . . ?
C122 C121 P1 122.6(7) . . ?
C126 C121 P1 119.4(7) . . ?
C123 C122 C121 120.8(9) . . ?
C122 C123 C124 119.2(9) . . ?
C125 C124 C123 121.4(9) . . ?
C124 C125 C126 119.1(9) . . ?
C125 C126 C121 121.5(9) . . ?
N1 C131 C132 122.0(7) . . ?
N1 C131 P1 117.4(6) . . ?
C132 C131 P1 120.4(6) . . ?
C131 C132 C133 119.6(8) . . ?
C134 C133 C132 119.2(9) . . ?
C133 C134 C135 118.9(8) . . ?
N1 C135 C134 122.9(8) . . ?
C135 N1 C131 117.0(7) . . ?
C135 N1 Rh21 117.7(6) . . ?
C131 N1 Rh21 123.1(5) . . ?
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
Rh10 C50 1.882(10) . ?
Rh10 C40 1.909(10) . ?
Rh10 C20 2.202(8) . ?
Rh10 C21 2.209(8) . ?
Rh10 Rh31 2.7608(13) . ?
Rh10 Rh21 2.7615(15) . ?
Rh10 Rh30 2.7688(13) . ?
Rh10 Rh20 2.7763(14) . ?
Rh20 C60 1.889(8) . ?
Rh20 C20 2.128(9) . ?
Rh20 C10 2.183(9) . ?
Rh20 P1 2.308(3) . ?
Rh20 Rh21 2.7036(10) . ?
Rh20 Rh40 2.7825(13) . ?
Rh20 Rh30 2.7949(12) . ?
Rh21 C61 1.890(10) . ?
Rh21 C21 2.084(8) . ?
Rh21 C10 2.128(9) . ?
Rh21 N1 2.162(7) . ?
Rh21 Rh31 2.7130(13) . ?
Rh21 Rh40 2.7312(13) . ?
Rh30 C80 1.886(9) . ?
Rh30 C70 1.911(9) . ?
Rh30 C30 2.176(10) . ?
Rh30 C20 2.259(10) . ?
Rh30 Rh40 2.7390(15) . ?
Rh30 Rh31 2.7843(11) . ?
Rh31 C71 1.869(9) . ?
Rh31 C81 1.869(10) . ?
Rh31 C30 2.166(10) . ?
Rh31 C21 2.273(10) . ?
Rh31 Rh40 2.7989(14) . ?
Rh40 C90 1.877(8) . ?
Rh40 C91 1.906(10) . ?
Rh40 C10 2.185(9) . ?
Rh40 C30 2.185(10) . ?
C10 O10 1.189(9) . ?
C20 O20 1.155(9) . ?
C21 O21 1.173(9) . ?
C30 O30 1.179(10) . ?
C40 O40 1.151(10) . ?
C50 O50 1.164(10) . ?
C60 O60 1.153(8) . ?
C61 O61 1.153(10) . ?
C70 O70 1.122(9) . ?
C71 O71 1.167(9) . ?
C80 O80 1.153(9) . ?
C81 O81 1.174(10) . ?
C91 O91 1.140(10) . ?
C90 O90 1.150(9) . ?
P1 C111 1.823(9) . ?
P1 C121 1.838(8) . ?
P1 C131 1.845(8) . ?
C111 C116 1.389(11) . ?
C111 C112 1.399(12) . ?
C112 C113 1.360(12) . ?
C113 C114 1.396(11) . ?
C114 C115 1.395(11) . ?
C115 C116 1.412(12) . ?
C121 C122 1.395(11) . ?
C121 C126 1.396(12) . ?
C122 C123 1.380(10) . ?
C123 C124 1.385(12) . ?
C124 C125 1.365(12) . ?
C125 C126 1.376(11) . ?
C131 N1 1.367(10) . ?
C131 C132 1.375(11) . ?
C132 C133 1.382(10) . ?
C133 C134 1.361(12) . ?
C134 C135 1.394(12) . ?
C135 N1 1.347(9) . ?
