#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:18:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179809 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/05/7010525.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_7010525
loop_
_publ_author_name
'Farrar, David H.'
'Grachova, Elena V.'
'Lough, Alan'
'Patirana, Charles'
'Poë, Anthony J.'
'Tunik, Sergey P.'
_publ_section_title
;
 Ligand effects on the structures of Rh6(CO)15L clusters
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2015
_journal_paper_doi               10.1039/b010109p
_journal_year                    2001
_chemical_formula_sum            'C23 H14 O15 Rh6'
_chemical_formula_weight         1147.80
_chemical_name_common            '9  Rh6(CO)15(C8H14)'
_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                103.07(2)
_cell_angle_beta                 94.50(3)
_cell_angle_gamma                98.62(3)
_cell_formula_units_Z            2
_cell_length_a                   9.466(2)
_cell_length_b                   9.832(3)
_cell_length_c                   16.608(4)
_cell_measurement_reflns_used    33
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      9.92
_cell_measurement_theta_min      0.44
_cell_volume                     1478.5(7)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω 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  0.0620
_diffrn_reflns_av_sigmaI/netI    0.1353
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6809
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.54
_diffrn_standards_decay_%        13.93
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.341
_exptl_absorpt_correction_T_max  0.782
_exptl_absorpt_correction_T_min  0.382
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.578
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1084
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.340
_refine_diff_density_min         -1.997
_refine_diff_density_rms         0.284
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.885
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         6411
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.885
_refine_ls_restrained_S_obs      1.050
_refine_ls_R_factor_all          0.1318
_refine_ls_R_factor_gt           0.0579
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          -0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w==1/[σ²(Fo²)+(0.0700P)²] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1579
_refine_ls_wR_factor_ref         0.1300
_reflns_number_gt                3257
_reflns_number_total             6411
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b010109p.txt
_cod_data_source_block           s9612
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w==1/[\s^2^(Fo^2^)+(0.0700P)^2^] 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^)+(0.0700P)^2^] where P==(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010525
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
_atom_site_disorder_group
Rh10 Rh 0.53463(11) -0.23143(11) 0.25047(7) 0.0195(3) Uani 1 d . .
Rh20 Rh 0.80905(12) -0.28658(11) 0.21685(7) 0.0204(3) Uani 1 d . .
Rh21 Rh 0.78612(12) -0.03444(11) 0.31825(7) 0.0208(3) Uani 1 d . .
Rh30 Rh 0.61881(11) -0.24013(12) 0.09425(7) 0.0205(3) Uani 1 d . .
Rh31 Rh 0.59645(12) 0.01631(11) 0.19816(7) 0.0210(3) Uani 1 d . .
Rh40 Rh 0.86236(12) -0.04327(12) 0.15990(7) 0.0218(3) Uani 1 d . .
C1 C 0.4837(17) -0.4046(17) 0.3248(10) 0.037(4) Uani 1 d . .
H1A H 0.5709(17) -0.4373(17) 0.3464(10) 0.179(95) Uiso 1 calc R .
C2 C 0.4621(17) -0.2784(16) 0.3707(9) 0.031(3) Uani 1 d . .
H2A H 0.5377(17) -0.2382(16) 0.4193(9) 0.179(95) Uiso 1 calc R .
C3 C 0.3128(19) -0.2452(20) 0.3907(11) 0.048(5) Uani 1 d . .
H3A H 0.3163(19) -0.1415(20) 0.4010(11) 0.134(32) Uiso 1 calc R .
H3B H 0.2421(19) -0.2907(20) 0.3412(11) 0.134(32) Uiso 1 calc R .
C4 C 0.2590(28) -0.2944(23) 0.4659(11) 0.072(7) Uani 1 d . .
H4A H 0.1781(28) -0.2462(23) 0.4837(11) 0.134(32) Uiso 1 calc R .
H4B H 0.3374(28) -0.2662(23) 0.5126(11) 0.134(32) Uiso 1 calc R .
C5 C 0.2088(31) -0.4556(26) 0.4468(18) 0.099(10) Uani 1 d . .
H5A H 0.1552(31) -0.4734(26) 0.4933(18) 0.134(32) Uiso 1 calc R .
H5B H 0.1373(31) -0.4799(26) 0.3968(18) 0.134(32) Uiso 1 calc R .
C6 C 0.2987(38) -0.5553(29) 0.4336(20) 0.118(12) Uani 1 d . .
H6A H 0.2565(38) -0.6347(29) 0.4566(20) 0.134(32) Uiso 1 calc R .
H6B H 0.3912(38) -0.5115(29) 0.4683(20) 0.134(32) Uiso 1 calc R .
C7 C 0.3358(22) -0.6221(23) 0.3455(15) 0.063(6) Uani 1 d . .
H7A H 0.2566(22) -0.7009(23) 0.3184(15) 0.134(32) Uiso 1 calc R .
H7B H 0.4235(22) -0.6639(23) 0.3522(15) 0.134(32) Uiso 1 calc R .
C8 C 0.3612(19) -0.5232(16) 0.2853(10) 0.040(4) Uani 1 d . .
H8A H 0.3847(19) -0.5772(16) 0.2316(10) 0.134(32) Uiso 1 calc R .
H8B H 0.2730(19) -0.4841(16) 0.2745(10) 0.134(32) Uiso 1 calc R .
C10 C 0.5946(15) -0.4064(16) 0.1645(8) 0.026(3) Uani 1 d . .
O10 O 0.5525(10) -0.5283(10) 0.1395(6) 0.028(2) Uani 1 d . .
C11 C 0.5564(15) -0.0177(15) 0.3236(9) 0.025(3) Uani 1 d . .
O11 O 0.4977(11) 0.0507(10) 0.3744(6) 0.030(2) Uani 1 d . .
C20 C 0.9766(15) -0.0979(16) 0.2636(8) 0.027(3) Uani 1 d . .
O20 O 1.0951(10) -0.0801(10) 0.2907(6) 0.028(2) Uani 1 d . .
C30 C 0.6711(15) -0.0266(13) 0.0766(9) 0.025(3) Uani 1 d . .
O30 O 0.6617(11) 0.0191(12) 0.0192(6) 0.035(3) Uani 1 d . .
C40 C 0.3435(15) -0.2620(16) 0.2058(9) 0.031(4) Uani 1 d . .
O40 O 0.2270(11) -0.2846(13) 0.1756(7) 0.045(3) Uani 1 d . .
C50 C 0.8505(15) -0.3677(16) 0.3079(9) 0.028(3) Uani 1 d . .
O50 O 0.8808(14) -0.4096(12) 0.3647(7) 0.052(3) Uani 1 d . .
C51 C 0.8171(17) -0.0841(18) 0.4229(10) 0.036(4) Uani 1 d . .
O51 O 0.8398(14) -0.1062(14) 0.4858(7) 0.055(4) Uani 1 d . .
C60 C 0.9097(15) -0.4073(16) 0.1417(9) 0.028(3) Uani 1 d . .
O60 O 0.9584(12) -0.4837(12) 0.0960(7) 0.044(3) Uani 1 d . .
C61 C 0.8771(17) 0.1574(16) 0.3603(9) 0.034(4) Uani 1 d . .
O61 O 0.9445(15) 0.2704(13) 0.3796(8) 0.058(4) Uani 1 d . .
C70 C 0.4293(15) -0.2863(13) 0.0353(9) 0.024(3) Uani 1 d . .
O70 O 0.3172(10) -0.3141(11) -0.0004(6) 0.033(3) Uani 1 d . .
C71 C 0.4012(16) 0.0374(16) 0.1704(9) 0.030(3) Uani 1 d . .
O71 O 0.2870(12) 0.0569(14) 0.1588(7) 0.050(3) Uani 1 d . .
C80 C 0.7033(15) -0.3325(15) 0.0013(9) 0.025(3) Uani 1 d . .
O80 O 0.7542(12) -0.3868(12) -0.0534(7) 0.043(3) Uani 1 d . .
C81 C 0.6629(18) 0.2157(16) 0.2264(9) 0.033(4) Uani 1 d . .
O81 O 0.7049(14) 0.3315(11) 0.2470(9) 0.062(4) Uani 1 d . .
C90 C 0.9776(15) -0.1134(16) 0.0759(9) 0.027(3) Uani 1 d . .
O90 O 1.0429(12) -0.1584(12) 0.0249(7) 0.045(3) Uani 1 d . .
C91 C 0.9586(15) 0.1453(17) 0.1755(10) 0.031(4) Uani 1 d . .
O91 O 1.0178(13) 0.2586(12) 0.1858(8) 0.049(3) Uani 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'
O O 0.0106 0.0060 '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
C40 Rh10 C11 100.2(6) . . ?
C40 Rh10 C10 96.4(6) . . ?
C11 Rh10 C10 156.5(6) . . ?
C40 Rh10 C2 89.4(6) . . ?
C11 Rh10 C2 81.1(5) . . ?
C10 Rh10 C2 115.6(6) . . ?
C40 Rh10 C1 90.9(7) . . ?
C11 Rh10 C1 114.3(6) . . ?
C10 Rh10 C1 81.6(6) . . ?
C2 Rh10 C1 34.1(5) . . ?
C40 Rh10 Rh30 89.9(5) . . ?
C11 Rh10 Rh30 111.7(4) . . ?
C10 Rh10 Rh30 51.7(4) . . ?
C2 Rh10 Rh30 167.0(4) . . ?
C1 Rh10 Rh30 133.0(4) . . ?
C40 Rh10 Rh31 92.2(5) . . ?
C11 Rh10 Rh31 52.3(4) . . ?
C10 Rh10 Rh31 110.9(4) . . ?
C2 Rh10 Rh31 133.0(4) . . ?
C1 Rh10 Rh31 166.7(4) . . ?
Rh30 Rh10 Rh31 60.00(5) . . ?
C40 Rh10 Rh20 144.0(4) . . ?
C11 Rh10 Rh20 108.5(4) . . ?
C10 Rh10 Rh20 50.4(4) . . ?
C2 Rh10 Rh20 115.7(4) . . ?
C1 Rh10 Rh20 96.4(4) . . ?
Rh30 Rh10 Rh20 59.76(5) . . ?
Rh31 Rh10 Rh20 88.61(5) . . ?
C40 Rh10 Rh21 147.4(5) . . ?
C11 Rh10 Rh21 50.9(4) . . ?
C10 Rh10 Rh21 107.9(4) . . ?
C2 Rh10 Rh21 98.8(4) . . ?
C1 Rh10 Rh21 113.4(4) . . ?
Rh30 Rh10 Rh21 88.65(5) . . ?
Rh31 Rh10 Rh21 59.30(4) . . ?
Rh20 Rh10 Rh21 57.78(4) . . ?
C50 Rh20 C60 94.3(6) . . ?
C50 Rh20 C10 101.5(6) . . ?
C60 Rh20 C10 94.6(5) . . ?
C50 Rh20 C20 94.3(6) . . ?
C60 Rh20 C20 101.1(6) . . ?
C10 Rh20 C20 156.8(5) . . ?
C50 Rh20 Rh21 92.9(4) . . ?
C60 Rh20 Rh21 152.3(5) . . ?
C10 Rh20 Rh21 110.0(3) . . ?
C20 Rh20 Rh21 51.7(4) . . ?
C50 Rh20 Rh40 143.9(4) . . ?
C60 Rh20 Rh40 99.6(5) . . ?
C10 Rh20 Rh40 110.3(4) . . ?
C20 Rh20 Rh40 50.5(3) . . ?
Rh21 Rh20 Rh40 60.76(5) . . ?
C50 Rh20 Rh30 151.5(4) . . ?
C60 Rh20 Rh30 95.8(4) . . ?
C10 Rh20 Rh30 51.2(4) . . ?
C20 Rh20 Rh30 109.7(3) . . ?
Rh21 Rh20 Rh30 90.39(5) . . ?
Rh40 Rh20 Rh30 59.63(5) . . ?
C50 Rh20 Rh10 98.0(4) . . ?
C60 Rh20 Rh10 143.4(4) . . ?
C10 Rh20 Rh10 49.1(3) . . ?
C20 Rh20 Rh10 112.2(4) . . ?
Rh21 Rh20 Rh10 61.21(5) . . ?
Rh40 Rh20 Rh10 90.39(5) . . ?
Rh30 Rh20 Rh10 59.32(4) . . ?
C61 Rh21 C51 94.3(7) . . ?
C61 Rh21 C20 93.3(6) . . ?
C51 Rh21 C20 99.1(6) . . ?
C61 Rh21 C11 101.8(6) . . ?
C51 Rh21 C11 96.6(6) . . ?
C20 Rh21 C11 157.3(5) . . ?
C61 Rh21 Rh20 144.5(5) . . ?
C51 Rh21 Rh20 98.1(5) . . ?
C20 Rh21 Rh20 51.9(4) . . ?
C11 Rh21 Rh20 109.7(4) . . ?
C61 Rh21 Rh31 96.0(5) . . ?
C51 Rh21 Rh31 148.4(5) . . ?
C20 Rh21 Rh31 110.0(3) . . ?
C11 Rh21 Rh31 52.0(4) . . ?
Rh20 Rh21 Rh31 90.64(5) . . ?
C61 Rh21 Rh40 93.2(5) . . ?
C51 Rh21 Rh40 148.9(5) . . ?
C20 Rh21 Rh40 50.3(3) . . ?
C11 Rh21 Rh40 111.2(4) . . ?
Rh20 Rh21 Rh40 60.44(5) . . ?
Rh31 Rh21 Rh40 59.89(5) . . ?
C61 Rh21 Rh10 148.9(5) . . ?
C51 Rh21 Rh10 98.6(5) . . ?
C20 Rh21 Rh10 112.2(4) . . ?
C11 Rh21 Rh10 48.9(4) . . ?
Rh20 Rh21 Rh10 61.01(5) . . ?
Rh31 Rh21 Rh10 59.52(5) . . ?
Rh40 Rh21 Rh10 90.10(5) . . ?
C80 Rh30 C70 93.4(6) . . ?
C80 Rh30 C30 96.8(6) . . ?
C70 Rh30 C30 97.2(5) . . ?
C80 Rh30 C10 100.5(5) . . ?
C70 Rh30 C10 97.4(6) . . ?
C30 Rh30 C10 156.6(5) . . ?
C80 Rh30 Rh40 94.4(4) . . ?
C70 Rh30 Rh40 149.5(4) . . ?
C30 Rh30 Rh40 52.5(3) . . ?
C10 Rh30 Rh40 110.1(4) . . ?
C80 Rh30 Rh10 149.7(4) . . ?
C70 Rh30 Rh10 96.4(4) . . ?
C30 Rh30 Rh10 110.3(4) . . ?
C10 Rh30 Rh10 49.8(3) . . ?
Rh40 Rh30 Rh10 91.51(5) . . ?
C80 Rh30 Rh31 145.9(4) . . ?
C70 Rh30 Rh31 99.0(4) . . ?
C30 Rh30 Rh31 50.3(4) . . ?
C10 Rh30 Rh31 109.1(3) . . ?
Rh40 Rh30 Rh31 60.05(5) . . ?
Rh10 Rh30 Rh31 60.07(5) . . ?
C80 Rh30 Rh20 97.0(4) . . ?
C70 Rh30 Rh20 147.7(4) . . ?
C30 Rh30 Rh20 111.7(3) . . ?
C10 Rh30 Rh20 50.7(4) . . ?
Rh40 Rh30 Rh20 59.93(5) . . ?
Rh10 Rh30 Rh20 60.91(5) . . ?
Rh31 Rh30 Rh20 89.30(5) . . ?
C81 Rh31 C71 92.7(7) . . ?
C81 Rh31 C30 96.7(6) . . ?
C71 Rh31 C30 101.4(5) . . ?
C81 Rh31 C11 100.2(6) . . ?
C71 Rh31 C11 93.4(6) . . ?
C30 Rh31 C11 157.0(5) . . ?
C81 Rh31 Rh21 94.3(4) . . ?
C71 Rh31 Rh21 144.7(5) . . ?
C30 Rh31 Rh21 112.1(3) . . ?
C11 Rh31 Rh21 51.3(4) . . ?
C81 Rh31 Rh40 92.9(5) . . ?
C71 Rh31 Rh40 153.7(4) . . ?
C30 Rh31 Rh40 52.5(3) . . ?
C11 Rh31 Rh40 110.8(4) . . ?
Rh21 Rh31 Rh40 60.23(5) . . ?
C81 Rh31 Rh30 145.5(5) . . ?
C71 Rh31 Rh30 103.6(4) . . ?
C30 Rh31 Rh30 50.6(3) . . ?
C11 Rh31 Rh30 108.8(4) . . ?
Rh21 Rh31 Rh30 89.67(5) . . ?
Rh40 Rh31 Rh30 59.76(5) . . ?
C81 Rh31 Rh10 148.4(4) . . ?
C71 Rh31 Rh10 97.3(5) . . ?
C30 Rh31 Rh10 110.4(3) . . ?
C11 Rh31 Rh10 49.5(4) . . ?
Rh21 Rh31 Rh10 61.18(5) . . ?
Rh40 Rh31 Rh10 91.25(5) . . ?
Rh30 Rh31 Rh10 59.93(5) . . ?
C91 Rh40 C90 92.4(6) . . ?
C91 Rh40 C20 98.8(6) . . ?
C90 Rh40 C20 98.1(6) . . ?
C91 Rh40 C30 97.0(5) . . ?
C90 Rh40 C30 98.3(5) . . ?
C20 Rh40 C30 156.7(6) . . ?
C91 Rh40 Rh30 147.2(4) . . ?
C90 Rh40 Rh30 95.7(4) . . ?
C20 Rh40 Rh30 111.4(4) . . ?
C30 Rh40 Rh30 50.4(4) . . ?
C91 Rh40 Rh31 97.9(4) . . ?
C90 Rh40 Rh31 147.5(4) . . ?
C20 Rh40 Rh31 110.5(4) . . ?
C30 Rh40 Rh31 50.0(4) . . ?
Rh30 Rh40 Rh31 60.19(5) . . ?
C91 Rh40 Rh20 149.6(5) . . ?
C90 Rh40 Rh20 96.8(5) . . ?
C20 Rh40 Rh20 51.3(4) . . ?
C30 Rh40 Rh20 110.1(4) . . ?
Rh30 Rh40 Rh20 60.44(5) . . ?
Rh31 Rh40 Rh20 89.68(6) . . ?
C91 Rh40 Rh21 100.0(5) . . ?
C90 Rh40 Rh21 147.9(4) . . ?
C20 Rh40 Rh21 50.9(4) . . ?
C30 Rh40 Rh21 109.3(4) . . ?
Rh30 Rh40 Rh21 89.73(6) . . ?
Rh31 Rh40 Rh21 59.88(5) . . ?
Rh20 Rh40 Rh21 58.80(5) . . ?
C2 C1 C8 122.2(14) . . ?
C2 C1 Rh10 70.8(9) . . ?
C8 C1 Rh10 115.6(11) . . ?
C1 C2 C3 123.7(14) . . ?
C1 C2 Rh10 75.1(9) . . ?
C3 C2 Rh10 116.0(11) . . ?
C4 C3 C2 114.9(17) . . ?
C3 C4 C5 112.6(17) . . ?
C6 C5 C4 124.9(27) . . ?
C5 C6 C7 122.3(26) . . ?
C6 C7 C8 117.4(18) . . ?
C1 C8 C7 108.6(15) . . ?
O10 C10 Rh10 137.3(12) . . ?
O10 C10 Rh20 131.6(10) . . ?
Rh10 C10 Rh20 80.4(5) . . ?
O10 C10 Rh30 128.7(10) . . ?
Rh10 C10 Rh30 78.5(5) . . ?
Rh20 C10 Rh30 78.1(5) . . ?
O11 C11 Rh10 139.4(11) . . ?
O11 C11 Rh21 131.3(10) . . ?
Rh10 C11 Rh21 80.2(5) . . ?
O11 C11 Rh31 127.7(11) . . ?
Rh10 C11 Rh31 78.2(5) . . ?
Rh21 C11 Rh31 76.6(5) . . ?
O20 C20 Rh40 134.6(12) . . ?
O20 C20 Rh21 131.8(11) . . ?
Rh40 C20 Rh21 78.7(4) . . ?
O20 C20 Rh20 134.1(11) . . ?
Rh40 C20 Rh20 78.3(4) . . ?
Rh21 C20 Rh20 76.3(5) . . ?
O30 C30 Rh31 135.7(11) . . ?
O30 C30 Rh30 132.8(11) . . ?
Rh31 C30 Rh30 79.1(5) . . ?
O30 C30 Rh40 131.8(12) . . ?
Rh31 C30 Rh40 77.5(5) . . ?
Rh30 C30 Rh40 77.1(4) . . ?
O40 C40 Rh10 177.3(13) . . ?
O50 C50 Rh20 176.2(13) . . ?
O51 C51 Rh21 176.3(15) . . ?
O60 C60 Rh20 174.8(13) . . ?
O61 C61 Rh21 172.0(15) . . ?
O70 C70 Rh30 179.4(13) . . ?
O71 C71 Rh31 175.4(12) . . ?
O80 C80 Rh30 179.5(12) . . ?
O81 C81 Rh31 176.2(13) . . ?
O90 C90 Rh40 177.9(14) . . ?
O91 C91 Rh40 179.0(12) . . ?
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 C40 1.855(14) . ?
Rh10 C11 2.147(14) . ?
Rh10 C10 2.151(13) . ?
Rh10 C2 2.28(2) . ?
Rh10 C1 2.335(15) . ?
Rh10 Rh30 2.760(2) . ?
Rh10 Rh31 2.764(2) . ?
Rh10 Rh20 2.805(2) . ?
Rh10 Rh21 2.810(2) . ?
Rh20 C50 1.90(2) . ?
Rh20 C60 1.931(15) . ?
Rh20 C10 2.192(15) . ?
Rh20 C20 2.198(15) . ?
Rh20 Rh21 2.713(2) . ?
Rh20 Rh40 2.759(2) . ?
Rh20 Rh30 2.773(2) . ?
Rh21 C61 1.900(15) . ?
Rh21 C51 1.92(2) . ?
Rh21 C20 2.191(15) . ?
Rh21 C11 2.213(14) . ?
Rh21 Rh31 2.758(2) . ?
Rh21 Rh40 2.767(2) . ?
Rh30 C80 1.905(14) . ?
Rh30 C70 1.913(14) . ?
Rh30 C30 2.175(14) . ?
Rh30 C10 2.209(15) . ?
Rh30 Rh40 2.750(2) . ?
Rh30 Rh31 2.762(2) . ?
Rh31 C81 1.90(2) . ?
Rh31 C71 1.923(15) . ?
Rh31 C30 2.16(2) . ?
Rh31 C11 2.235(14) . ?
Rh31 Rh40 2.758(2) . ?
Rh40 C91 1.89(2) . ?
Rh40 C90 1.91(2) . ?
Rh40 C20 2.173(13) . ?
Rh40 C30 2.240(13) . ?
C1 C2 1.36(2) . ?
C1 C8 1.50(2) . ?
C2 C3 1.54(2) . ?
C3 C4 1.53(2) . ?
C4 C5 1.54(3) . ?
C5 C6 1.38(3) . ?
C6 C7 1.55(4) . ?
C7 C8 1.55(2) . ?
C10 O10 1.17(2) . ?
C11 O11 1.18(2) . ?
C20 O20 1.15(2) . ?
C30 O30 1.14(2) . ?
C40 O40 1.14(2) . ?
C50 O50 1.14(2) . ?
C51 O51 1.13(2) . ?
C60 O60 1.12(2) . ?
C61 O61 1.16(2) . ?
C70 O70 1.14(2) . ?
C71 O71 1.13(2) . ?
C80 O80 1.13(2) . ?
C81 O81 1.11(2) . ?
C90 O90 1.14(2) . ?
C91 O91 1.14(2) . ?
