#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:18:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179809 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/05/7010524.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_7010524
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            'C17 H3 N O15 Rh6'
_chemical_formula_weight         1078.66
_chemical_name_common            '8  Rh6(CO)15(MeCN)'
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 104.390(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.099(4)
_cell_length_b                   9.6260(10)
_cell_length_c                   17.080(3)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      10.98
_cell_measurement_theta_min      0.55
_cell_volume                     2563.8(8)
_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  0.0817
_diffrn_reflns_av_sigmaI/netI    0.1134
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5777
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.61
_diffrn_standards_decay_%        2.85
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.845
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.3769
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.795
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.72
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.386
_refine_diff_density_min         -1.204
_refine_diff_density_rms         0.255
_refine_ls_extinction_coef       0.00014(7)
_refine_ls_extinction_expression Fc^*^==kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.010
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         5580
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.009
_refine_ls_restrained_S_obs      1.142
_refine_ls_R_factor_all          0.1555
_refine_ls_R_factor_gt           0.0654
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          -0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w==1/[σ²(Fo²)+(0.0607P)²] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1645
_refine_ls_wR_factor_ref         0.1255
_reflns_number_gt                2689
_reflns_number_total             5580
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b010109p.txt
_cod_data_source_block           s9556
_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_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^)+(0.0607P)^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^)+(0.0607P)^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      P2(1)/c
_cod_database_code               7010524
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Rh10 Rh 0.73567(9) 0.32856(12) 0.93120(8) 0.0246(3) Uani 1 d . .
Rh20 Rh 0.85314(8) 0.1217(2) 0.98829(7) 0.0278(3) Uani 1 d . .
Rh21 Rh 0.76705(7) 0.1247(2) 0.82850(6) 0.0245(3) Uani 1 d . .
Rh30 Rh 0.69990(8) 0.1303(2) 1.03195(6) 0.0251(3) Uani 1 d . .
Rh31 Rh 0.61281(7) 0.13411(15) 0.87058(6) 0.0225(3) Uani 1 d . .
Rh40 Rh 0.73022(9) -0.07462(13) 0.92844(8) 0.0249(3) Uani 1 d . .
N1 N 0.8204(13) 0.4626(20) 0.9017(9) 0.051(5) Uani 0.70 d P 1
C1 C 0.8632(14) 0.5402(24) 0.8860(13) 0.069(6) Uani 0.70 d PU 1
C2 C 0.9408(20) 0.5865(32) 0.8425(18) 0.061(9) Uani 0.70 d PU 1
H2A H 0.9944(38) 0.5409(167) 0.8702(82) 0.091 Uiso 0.70 calc PR 1
H2B H 0.9483(89) 0.6875(38) 0.8461(108) 0.091 Uiso 0.70 calc PR 1
H2C H 0.9252(65) 0.5584(192) 0.7856(38) 0.091 Uiso 0.70 calc PR 1
C10 C 0.8019(10) 0.2891(20) 1.0532(9) 0.032(4) Uani 1 d . .
O10 O 0.8367(8) 0.3552(16) 1.1096(6) 0.045(3) Uani 1 d . .
C11 C 0.6697(11) 0.2878(20) 0.8037(9) 0.032(4) Uani 1 d . .
O11 O 0.6429(8) 0.3619(14) 0.7507(6) 0.040(3) Uani 1 d . .
C20 C 0.8490(10) -0.0358(21) 0.8960(10) 0.036(4) Uani 1 d . .
O20 O 0.9001(8) -0.1040(14) 0.8801(7) 0.041(3) Uani 1 d . .
C30 C 0.6083(11) -0.0312(17) 0.9606(10) 0.029(4) Uani 1 d . .
O30 O 0.5569(7) -0.0956(11) 0.9748(7) 0.034(3) Uani 1 d . .
C40 C 0.6589(10) 0.4690(19) 0.9538(9) 0.027(4) Uani 1 d . .
O40 O 0.6140(9) 0.5455(15) 0.9649(8) 0.052(4) Uani 1 d . .
C50 C 0.9517(12) 0.2241(21) 0.9765(10) 0.037(4) Uani 1 d . .
O50 O 1.0071(8) 0.2915(16) 0.9716(7) 0.053(4) Uani 1 d . .
C51 C 0.8562(12) 0.2215(23) 0.7920(9) 0.045(5) Uani 0.70 d P 1
O51 O 0.9077(12) 0.2747(18) 0.7725(9) 0.059(5) Uani 0.70 d P 1
C60 C 0.9102(10) 0.0217(20) 1.0817(10) 0.035(4) Uani 1 d U .
O60 O 0.9430(9) -0.0421(18) 1.1368(8) 0.063(5) Uani 1 d . .
C61 C 0.7292(10) 0.0175(20) 0.7308(10) 0.032(4) Uani 1 d . .
O61 O 0.7075(9) -0.0440(15) 0.6743(7) 0.047(4) Uani 1 d . .
C70 C 0.6209(11) 0.2391(19) 1.0715(9) 0.031(4) Uani 1 d U .
O70 O 0.5741(8) 0.3065(14) 1.0954(7) 0.045(3) Uani 1 d . .
C71 C 0.5175(10) 0.2331(17) 0.8858(8) 0.025(4) Uani 1 d . .
O71 O 0.4565(8) 0.2883(16) 0.8934(7) 0.051(4) Uani 1 d . .
C80 C 0.7344(13) 0.0178(20) 1.1267(10) 0.041(5) Uani 1 d . .
O80 O 0.7572(10) -0.0474(16) 1.1823(7) 0.057(4) Uani 1 d . .
C81 C 0.5489(12) 0.0438(18) 0.7760(11) 0.037(4) Uani 1 d . .
O81 O 0.5089(9) -0.0016(15) 0.7181(7) 0.051(4) Uani 1 d . .
C90 C 0.7753(12) -0.2159(18) 1.0110(10) 0.033(4) Uani 1 d . .
O90 O 0.7993(11) -0.2932(17) 1.0587(9) 0.068(5) Uani 1 d . .
C91 C 0.6809(13) -0.2068(20) 0.8449(11) 0.040(5) Uani 1 d . .
O91 O 0.6547(11) -0.2843(15) 0.7996(8) 0.061(4) Uani 1 d . .
C3 C 0.8204(13) 0.4626(20) 0.9017(9) 0.051(5) Uani 0.30 d P 2
O3 O 0.8632(14) 0.5402(24) 0.8860(13) 0.069(6) Uani 0.30 d P 2
N2 N 0.8562(12) 0.2215(23) 0.7920(9) 0.045(5) Uani 0.30 d P 2
C4 C 0.9077(12) 0.2747(18) 0.7725(9) 0.059(5) Uani 0.30 d P 2
C5 C 1.0052(55) 0.3422(104) 0.7792(48) 0.082(26) Uani 0.30 d PU 2
H5A H 1.0046(106) 0.4416(156) 0.7913(330) 0.123 Uiso 0.30 calc PR 2
H5B H 1.0208(166) 0.3292(539) 0.7278(131) 0.123 Uiso 0.30 calc PR 2
H5C H 1.0474(77) 0.2952(411) 0.8224(244) 0.123 Uiso 0.30 calc PR 2
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'
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 C3 96.1(7) . . ?
C40 Rh10 N1 96.1(7) . . ?
C40 Rh10 C10 96.8(7) . . ?
C3 Rh10 C10 98.8(7) . . ?
N1 Rh10 C10 98.8(7) . . ?
C40 Rh10 C11 98.4(7) . . ?
C3 Rh10 C11 93.3(6) . . ?
N1 Rh10 C11 93.3(6) . . ?
C10 Rh10 C11 159.4(7) . . ?
C40 Rh10 Rh30 96.8(5) . . ?
C3 Rh10 Rh30 149.6(5) . . ?
N1 Rh10 Rh30 149.6(5) . . ?
C10 Rh10 Rh30 52.3(5) . . ?
C11 Rh10 Rh30 111.9(5) . . ?
C40 Rh10 Rh31 96.7(5) . . ?
C3 Rh10 Rh31 144.0(5) . . ?
N1 Rh10 Rh31 144.0(5) . . ?
C10 Rh10 Rh31 112.8(5) . . ?
C11 Rh10 Rh31 51.6(5) . . ?
Rh30 Rh10 Rh31 60.86(5) . . ?
C40 Rh10 Rh20 148.4(5) . . ?
C3 Rh10 Rh20 95.9(5) . . ?
N1 Rh10 Rh20 95.9(5) . . ?
C10 Rh10 Rh20 52.4(5) . . ?
C11 Rh10 Rh20 109.9(5) . . ?
Rh30 Rh10 Rh20 60.27(5) . . ?
Rh31 Rh10 Rh20 90.44(5) . . ?
C40 Rh10 Rh21 148.3(4) . . ?
C3 Rh10 Rh21 93.1(5) . . ?
N1 Rh10 Rh21 93.1(5) . . ?
C10 Rh10 Rh21 111.7(5) . . ?
C11 Rh10 Rh21 50.7(5) . . ?
Rh30 Rh10 Rh21 90.23(5) . . ?
Rh31 Rh10 Rh21 60.13(5) . . ?
Rh20 Rh10 Rh21 59.52(5) . . ?
C60 Rh20 C50 96.2(7) . . ?
C60 Rh20 C20 100.2(8) . . ?
C50 Rh20 C20 99.2(7) . . ?
C60 Rh20 C10 96.3(7) . . ?
C50 Rh20 C10 95.7(7) . . ?
C20 Rh20 C10 156.4(6) . . ?
C60 Rh20 Rh21 149.8(6) . . ?
C50 Rh20 Rh21 96.7(5) . . ?
C20 Rh20 Rh21 50.8(5) . . ?
C10 Rh20 Rh21 109.3(4) . . ?
C60 Rh20 Rh40 96.8(5) . . ?
C50 Rh20 Rh40 148.5(5) . . ?
C20 Rh20 Rh40 50.3(4) . . ?
C10 Rh20 Rh40 111.2(4) . . ?
Rh21 Rh20 Rh40 59.74(5) . . ?
C60 Rh20 Rh30 93.8(5) . . ?
C50 Rh20 Rh30 146.4(6) . . ?
C20 Rh20 Rh30 110.4(4) . . ?
C10 Rh20 Rh30 51.3(4) . . ?
Rh21 Rh20 Rh30 90.23(5) . . ?
Rh40 Rh20 Rh30 60.60(5) . . ?
C60 Rh20 Rh10 144.4(5) . . ?
C50 Rh20 Rh10 96.0(6) . . ?
C20 Rh20 Rh10 110.6(5) . . ?
C10 Rh20 Rh10 49.2(4) . . ?
Rh21 Rh20 Rh10 60.40(5) . . ?
Rh40 Rh20 Rh10 89.88(5) . . ?
Rh30 Rh20 Rh10 59.39(5) . . ?
C61 Rh21 N2 94.5(7) . . ?
C61 Rh21 C51 94.5(7) . . ?
C61 Rh21 C20 95.7(7) . . ?
N2 Rh21 C20 96.5(7) . . ?
C51 Rh21 C20 96.5(7) . . ?
C61 Rh21 C11 99.2(7) . . ?
N2 Rh21 C11 98.3(7) . . ?
C51 Rh21 C11 98.3(7) . . ?
C20 Rh21 C11 158.1(6) . . ?
C61 Rh21 Rh40 95.4(5) . . ?
N2 Rh21 Rh40 146.3(5) . . ?
C51 Rh21 Rh40 146.3(5) . . ?
C20 Rh21 Rh40 50.5(4) . . ?
C11 Rh21 Rh40 111.7(4) . . ?
C61 Rh21 Rh20 146.2(6) . . ?
N2 Rh21 Rh20 95.4(5) . . ?
C51 Rh21 Rh20 95.4(5) . . ?
C20 Rh21 Rh20 51.1(4) . . ?
C11 Rh21 Rh20 111.2(4) . . ?
Rh40 Rh21 Rh20 60.26(5) . . ?
C61 Rh21 Rh31 97.6(5) . . ?
N2 Rh21 Rh31 148.8(6) . . ?
C51 Rh21 Rh31 148.8(6) . . ?
C20 Rh21 Rh31 110.7(4) . . ?
C11 Rh21 Rh31 51.4(4) . . ?
Rh40 Rh21 Rh31 60.63(5) . . ?
Rh20 Rh21 Rh31 90.35(5) . . ?
C61 Rh21 Rh10 149.5(5) . . ?
N2 Rh21 Rh10 97.4(6) . . ?
C51 Rh21 Rh10 97.4(6) . . ?
C20 Rh21 Rh10 110.6(4) . . ?
C11 Rh21 Rh10 51.4(4) . . ?
Rh40 Rh21 Rh10 89.99(5) . . ?
Rh20 Rh21 Rh10 60.08(5) . . ?
Rh31 Rh21 Rh10 59.43(5) . . ?
C70 Rh30 C80 95.2(7) . . ?
C70 Rh30 C10 95.5(7) . . ?
C80 Rh30 C10 101.8(8) . . ?
C70 Rh30 C30 99.5(6) . . ?
C80 Rh30 C30 94.6(7) . . ?
C10 Rh30 C30 156.6(6) . . ?
C70 Rh30 Rh10 96.0(5) . . ?
C80 Rh30 Rh10 150.3(6) . . ?
C10 Rh30 Rh10 49.7(4) . . ?
C30 Rh30 Rh10 110.5(4) . . ?
C70 Rh30 Rh20 147.1(5) . . ?
C80 Rh30 Rh20 97.0(6) . . ?
C10 Rh30 Rh20 52.0(5) . . ?
C30 Rh30 Rh20 109.9(4) . . ?
Rh10 Rh30 Rh20 60.34(5) . . ?
C70 Rh30 Rh31 97.4(5) . . ?
C80 Rh30 Rh31 145.1(6) . . ?
C10 Rh30 Rh31 109.1(4) . . ?
C30 Rh30 Rh31 51.3(4) . . ?
Rh10 Rh30 Rh31 59.70(5) . . ?
Rh20 Rh30 Rh31 89.82(5) . . ?
C70 Rh30 Rh40 149.3(5) . . ?
C80 Rh30 Rh40 94.4(6) . . ?
C10 Rh30 Rh40 110.9(4) . . ?
C30 Rh30 Rh40 50.7(4) . . ?
Rh10 Rh30 Rh40 89.84(5) . . ?
Rh20 Rh30 Rh40 59.58(5) . . ?
Rh31 Rh30 Rh40 59.98(5) . . ?
C71 Rh31 C81 93.5(7) . . ?
C71 Rh31 C11 100.9(7) . . ?
C81 Rh31 C11 94.2(7) . . ?
C71 Rh31 C30 95.7(6) . . ?
C81 Rh31 C30 99.0(7) . . ?
C11 Rh31 C30 158.0(6) . . ?
C71 Rh31 Rh10 98.0(5) . . ?
C81 Rh31 Rh10 145.6(5) . . ?
C11 Rh31 Rh10 51.8(4) . . ?
C30 Rh31 Rh10 111.9(5) . . ?
C71 Rh31 Rh21 150.9(5) . . ?
C81 Rh31 Rh21 95.5(6) . . ?
C11 Rh31 Rh21 50.9(5) . . ?
C30 Rh31 Rh21 110.1(4) . . ?
Rh10 Rh31 Rh21 60.44(5) . . ?
C71 Rh31 Rh30 95.6(4) . . ?
C81 Rh31 Rh30 151.2(5) . . ?
C11 Rh31 Rh30 110.7(4) . . ?
C30 Rh31 Rh30 53.0(5) . . ?
Rh10 Rh31 Rh30 59.44(5) . . ?
Rh21 Rh31 Rh30 89.60(5) . . ?
C71 Rh31 Rh40 145.9(4) . . ?
C81 Rh31 Rh40 98.6(5) . . ?
C11 Rh31 Rh40 109.8(5) . . ?
C30 Rh31 Rh40 51.0(4) . . ?
Rh10 Rh31 Rh40 89.78(5) . . ?
Rh21 Rh31 Rh40 59.26(5) . . ?
Rh30 Rh31 Rh40 60.14(5) . . ?
C91 Rh40 C90 94.9(7) . . ?
C91 Rh40 C20 98.8(7) . . ?
C90 Rh40 C20 96.5(8) . . ?
C91 Rh40 C30 94.6(8) . . ?
C90 Rh40 C30 98.3(6) . . ?
C20 Rh40 C30 159.1(6) . . ?
C91 Rh40 Rh21 96.6(5) . . ?
C90 Rh40 Rh21 146.8(5) . . ?
C20 Rh40 Rh21 51.1(5) . . ?
C30 Rh40 Rh21 111.6(4) . . ?
C91 Rh40 Rh20 148.9(6) . . ?
C90 Rh40 Rh20 96.1(5) . . ?
C20 Rh40 Rh20 51.1(4) . . ?
C30 Rh40 Rh20 112.4(5) . . ?
Rh21 Rh40 Rh20 60.01(5) . . ?
C91 Rh40 Rh31 95.5(5) . . ?
C90 Rh40 Rh31 149.0(5) . . ?
C20 Rh40 Rh31 110.7(6) . . ?
C30 Rh40 Rh31 51.7(4) . . ?
Rh21 Rh40 Rh31 60.10(5) . . ?
Rh20 Rh40 Rh31 89.90(5) . . ?
C91 Rh40 Rh30 146.7(6) . . ?
C90 Rh40 Rh30 97.3(5) . . ?
C20 Rh40 Rh30 110.5(5) . . ?
C30 Rh40 Rh30 53.0(5) . . ?
Rh21 Rh40 Rh30 89.93(5) . . ?
Rh20 Rh40 Rh30 59.82(5) . . ?
Rh31 Rh40 Rh30 59.88(4) . . ?
C1 N1 Rh10 176.4(21) . . ?
N1 C1 C2 151.8(26) . . ?
O10 C10 Rh10 136.7(16) . . ?
O10 C10 Rh30 134.1(13) . . ?
Rh10 C10 Rh30 77.9(5) . . ?
O10 C10 Rh20 129.8(13) . . ?
Rh10 C10 Rh20 78.4(5) . . ?
Rh30 C10 Rh20 76.7(6) . . ?
O11 C11 Rh21 135.2(12) . . ?
O11 C11 Rh31 134.6(14) . . ?
Rh21 C11 Rh31 77.7(6) . . ?
O11 C11 Rh10 131.4(15) . . ?
Rh21 C11 Rh10 77.9(6) . . ?
Rh31 C11 Rh10 76.6(5) . . ?
O20 C20 Rh40 134.7(16) . . ?
O20 C20 Rh21 131.8(14) . . ?
Rh40 C20 Rh21 78.4(6) . . ?
O20 C20 Rh20 132.9(13) . . ?
Rh40 C20 Rh20 78.7(5) . . ?
Rh21 C20 Rh20 78.1(6) . . ?
O30 C30 Rh40 135.1(14) . . ?
O30 C30 Rh31 134.9(13) . . ?
Rh40 C30 Rh31 77.3(5) . . ?
O30 C30 Rh30 133.2(14) . . ?
Rh40 C30 Rh30 76.4(6) . . ?
Rh31 C30 Rh30 75.7(5) . . ?
O40 C40 Rh10 177.8(16) . . ?
O50 C50 Rh20 175.3(18) . . ?
O51 C51 Rh21 178.6(18) . . ?
O60 C60 Rh20 177.8(18) . . ?
O61 C61 Rh21 179.7(11) . . ?
O70 C70 Rh30 178.8(15) . . ?
O71 C71 Rh31 176.6(17) . . ?
O80 C80 Rh30 177.9(19) . . ?
O81 C81 Rh31 175.5(16) . . ?
O90 C90 Rh40 178.0(17) . . ?
O91 C91 Rh40 177.6(17) . . ?
O3 C3 Rh10 176.4(21) . . ?
C4 N2 Rh21 178.6(18) . . ?
N2 C4 C5 158.1(33) . . ?
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 1.93(2) . ?
Rh10 C3 2.03(2) . ?
Rh10 N1 2.03(2) . ?
Rh10 C10 2.13(2) . ?
Rh10 C11 2.21(2) . ?
Rh10 Rh30 2.726(2) . ?
Rh10 Rh31 2.733(2) . ?
Rh10 Rh20 2.752(2) . ?
Rh10 Rh21 2.761(2) . ?
Rh20 C60 1.89(2) . ?
Rh20 C50 1.92(2) . ?
Rh20 C20 2.18(2) . ?
Rh20 C10 2.23(2) . ?
Rh20 Rh21 2.737(2) . ?
Rh20 Rh40 2.744(2) . ?
Rh20 Rh30 2.750(2) . ?
Rh21 C61 1.93(2) . ?
Rh21 N2 1.94(2) . ?
Rh21 C51 1.94(2) . ?
Rh21 C20 2.17(2) . ?
Rh21 C11 2.18(2) . ?
Rh21 Rh40 2.729(2) . ?
Rh21 Rh31 2.753(2) . ?
Rh30 C70 1.90(2) . ?
Rh30 C80 1.91(2) . ?
Rh30 C10 2.21(2) . ?
Rh30 C30 2.28(2) . ?
Rh30 Rh31 2.765(2) . ?
Rh30 Rh40 2.772(2) . ?
Rh31 C71 1.878(15) . ?
Rh31 C81 1.90(2) . ?
Rh31 C11 2.20(2) . ?
Rh31 C30 2.226(15) . ?
Rh31 Rh40 2.767(2) . ?
Rh40 C91 1.93(2) . ?
Rh40 C90 1.96(2) . ?
Rh40 C20 2.15(2) . ?
Rh40 C30 2.21(2) . ?
N1 C1 1.09(3) . ?
C1 C2 1.66(3) . ?
C10 O10 1.17(2) . ?
C11 O11 1.15(2) . ?
C20 O20 1.14(2) . ?
C30 O30 1.11(2) . ?
C40 O40 1.08(2) . ?
C50 O50 1.12(2) . ?
C51 O51 1.09(2) . ?
C60 O60 1.14(2) . ?
C61 O61 1.11(2) . ?
C70 O70 1.14(2) . ?
C71 O71 1.15(2) . ?
C80 O80 1.12(2) . ?
C81 O81 1.13(2) . ?
C90 O90 1.10(2) . ?
C91 O91 1.08(2) . ?
C3 O3 1.09(3) . ?
N2 C4 1.09(2) . ?
C4 C5 1.68(9) . ?
