#------------------------------------------------------------------------------
#$Date: 2019-10-28 02:02:45 +0200 (Mon, 28 Oct 2019) $
#$Revision: 219566 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/72/4127298.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_4127298
loop_
_publ_author_name
'Kim, Sangmin'
'Loose, Florian'
'Bezdek, Máté J'
'Wang, Xiaoping'
'Chirik, Paul J.'
_publ_section_title
;
 Hydrogenation of N-Heteroarenes Using Rhodium Precatalysts:
 Reductive Elimination Leads to Formation of Multimetallic Clusters.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.9b09540
_journal_year                    2019
_chemical_formula_moiety         'C40 H67 Rh5, C2.5 H6'
_chemical_formula_sum            'C42.5 H73 Rh5'
_chemical_formula_weight         1098.55
_chemical_name_common            (η5-C5Me5)4Rh5H7.0.5pentane
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                92.034(2)
_cell_angle_beta                 111.670(2)
_cell_angle_gamma                111.675(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8773(5)
_cell_length_b                   13.7328(6)
_cell_length_c                   15.6523(7)
_cell_measurement_reflns_used    9239
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.56
_cell_measurement_theta_min      2.74
_cell_volume                     2160.73(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick 2016)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 100 CMOS'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_source         'I\mS microfocus source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0188
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            118002
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.576
_diffrn_reflns_theta_min         2.739
_exptl_absorpt_coefficient_mu    1.870
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6940
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS BRUKER AXS'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_description       block
_exptl_crystal_F_000             1106
_exptl_crystal_size_max          0.173
_exptl_crystal_size_mid          0.171
_exptl_crystal_size_min          0.126
_refine_diff_density_max         1.111
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         13221
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0272
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0147P)²+4.8210P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0574
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11716
_reflns_number_total             13221
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b09540_si_003.cif
_cod_data_source_block           Rh5H7_xray
_cod_original_formula_sum        'C42.50 H73 Rh5'
_cod_database_code               4127298
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.738
_shelx_estimated_absorpt_t_max   0.799
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6237(2) 0.44703(19) 0.95122(18) 0.0203(5) Uani 1 1 d . . . .
C2 C 0.5531(2) 0.36176(19) 0.98587(16) 0.0170(4) Uani 1 1 d . . . .
C3 C 0.4136(2) 0.32578(19) 0.92784(16) 0.0162(4) Uani 1 1 d . . . .
C4 C 0.3984(2) 0.3902(2) 0.85830(17) 0.0181(4) Uani 1 1 d . . . .
C5 C 0.5289(3) 0.46370(19) 0.87142(18) 0.0214(5) Uani 1 1 d . . . .
C6 C 0.7711(3) 0.5126(2) 0.9907(2) 0.0350(7) Uani 1 1 d . . . .
H6A H 0.8001 0.5227 0.9394 0.050(11) Uiso 1 1 calc R . . .
H6B H 0.8170 0.4755 1.0332 0.039(10) Uiso 1 1 calc R . . .
H6C H 0.7924 0.5825 1.0253 0.048(11) Uiso 1 1 calc R . . .
C7 C 0.6115(3) 0.3223(2) 1.07214(18) 0.0272(6) Uani 1 1 d . . . .
H7A H 0.5650 0.2444 1.0607 0.030(9) Uiso 1 1 calc R . . .
H7B H 0.6017 0.3547 1.1243 0.049(11) Uiso 1 1 calc R . . .
H7C H 0.7060 0.3421 1.0879 0.046(11) Uiso 1 1 calc R . . .
C8 C 0.3049(3) 0.2407(2) 0.94392(19) 0.0242(5) Uani 1 1 d . . . .
H8A H 0.3319 0.1829 0.9637 0.050(11) Uiso 1 1 calc R . . .
H8B H 0.2238 0.2122 0.8856 0.035(9) Uiso 1 1 calc R . . .
H8C H 0.2879 0.2713 0.9929 0.043(10) Uiso 1 1 calc R . . .
C9 C 0.2685(3) 0.3853(2) 0.78861(19) 0.0276(6) Uani 1 1 d . . . .
H9A H 0.2776 0.4049 0.7312 0.043(10) Uiso 1 1 calc R . . .
H9B H 0.2432 0.4353 0.8153 0.051(11) Uiso 1 1 calc R . . .
H9C H 0.1997 0.3125 0.7738 0.040(10) Uiso 1 1 calc R . . .
C10 C 0.5605(4) 0.5476(2) 0.8155(2) 0.0333(7) Uani 1 1 d . . . .
H10A H 0.4857 0.5279 0.7540 0.062(13) Uiso 1 1 calc R . . .
H10B H 0.6404 0.5538 0.8069 0.047(11) Uiso 1 1 calc R . . .
H10C H 0.5762 0.6164 0.8487 0.049(11) Uiso 1 1 calc R . . .
C11 C 0.8297(3) 0.1815(2) 0.8560(2) 0.0286(6) Uani 1 1 d . . . .
C12 C 0.8189(3) 0.1941(2) 0.9420(2) 0.0269(6) Uani 1 1 d . . . .
C13 C 0.7187(3) 0.0987(3) 0.94312(19) 0.0284(6) Uani 1 1 d . . . .
C14 C 0.6680(3) 0.0255(2) 0.8567(2) 0.0283(6) Uani 1 1 d . . . .
C15 C 0.7383(3) 0.0775(3) 0.80398(18) 0.0271(6) Uani 1 1 d . . . .
C16 C 0.9274(4) 0.2595(4) 0.8255(4) 0.0767(18) Uani 1 1 d . . . .
H16A H 0.8919 0.2453 0.7569 0.16(3) Uiso 1 1 calc R . . .
H16B H 1.0116 0.2515 0.8512 0.062(13) Uiso 1 1 calc R . . .
H16C H 0.9426 0.3325 0.8485 0.11(2) Uiso 1 1 calc R . . .
C17 C 0.9067(4) 0.2911(4) 1.0195(4) 0.0776(19) Uani 1 1 d . . . .
H17A H 0.8674 0.2899 1.0648 0.11(2) Uiso 1 1 calc R . . .
H17B H 0.9152 0.3558 0.9931 0.16(3) Uiso 1 1 calc R . . .
H17C H 0.9948 0.2908 1.0511 0.087(17) Uiso 1 1 calc R . . .
C18 C 0.6849(4) 0.0752(6) 1.0250(3) 0.0757(18) Uani 1 1 d . . . .
H18A H 0.5926 0.0226 1.0029 0.12(2) Uiso 1 1 calc R . . .
H18B H 0.6955 0.1412 1.0597 0.17(4) Uiso 1 1 calc R . . .
H18C H 0.7443 0.0464 1.0664 0.069(14) Uiso 1 1 calc R . . .
C19 C 0.5679(4) -0.0875(3) 0.8344(4) 0.086(2) Uani 1 1 d . . . .
H19A H 0.4940 -0.0892 0.8494 0.12(3) Uiso 1 1 calc R . . .
H19B H 0.6098 -0.1303 0.8717 0.12(2) Uiso 1 1 calc R . . .
H19C H 0.5341 -0.1169 0.7675 0.069(15) Uiso 1 1 calc R . . .
C20 C 0.7228(5) 0.0296(5) 0.7108(3) 0.0791(19) Uani 1 1 d . . . .
H20A H 0.7236 0.0823 0.6701 0.078(16) Uiso 1 1 calc R . . .
H20B H 0.6383 -0.0337 0.6818 0.11(2) Uiso 1 1 calc R . . .
H20C H 0.7964 0.0090 0.7195 0.087(17) Uiso 1 1 calc R . . .
C21 C 0.2802(2) -0.00982(19) 0.58135(17) 0.0186(5) Uani 1 1 d . . . .
C22 C 0.2304(2) -0.03659(19) 0.65154(18) 0.0201(5) Uani 1 1 d . . . .
C23 C 0.1669(2) 0.0328(2) 0.6595(2) 0.0262(6) Uani 1 1 d . . . .
C24 C 0.1756(2) 0.1009(2) 0.5937(2) 0.0272(6) Uani 1 1 d . . . .
C25 C 0.2503(3) 0.0778(2) 0.54744(18) 0.0230(5) Uani 1 1 d . . . .
C26 C 0.3479(3) -0.0637(2) 0.54621(18) 0.0223(5) Uani 1 1 d . . . .
H26A H 0.4150 -0.0108 0.5301 0.024(8) Uiso 1 1 calc R . . .
H26B H 0.2821 -0.1189 0.4904 0.039(10) Uiso 1 1 calc R . . .
H26C H 0.3909 -0.0968 0.5951 0.034(9) Uiso 1 1 calc R . . .
C27 C 0.2276(3) -0.1288(2) 0.6998(2) 0.0270(6) Uani 1 1 d . . . .
H27A H 0.2349 -0.1099 0.7632 0.042(10) Uiso 1 1 calc R . . .
H27B H 0.3023 -0.1459 0.7037 0.036(9) Uiso 1 1 calc R . . .
H27C H 0.1438 -0.1910 0.6642 0.041(10) Uiso 1 1 calc R . . .
C28 C 0.0926(3) 0.0241(3) 0.7202(3) 0.0406(8) Uani 1 1 d . . . .
H28A H 0.1446 0.0153 0.7823 0.050(12) Uiso 1 1 calc R . . .
H28B H 0.0067 -0.0379 0.6914 0.061(13) Uiso 1 1 calc R . . .
H28C H 0.0780 0.0892 0.7266 0.038(10) Uiso 1 1 calc R . . .
C29 C 0.1091(3) 0.1759(3) 0.5695(3) 0.0413(9) Uani 1 1 d . . . .
H29A H 0.1664 0.2392 0.5550 0.050(12) Uiso 1 1 calc R . . .
H29B H 0.0933 0.1977 0.6228 0.042(10) Uiso 1 1 calc R . . .
H29C H 0.0241 0.1400 0.5147 0.047(11) Uiso 1 1 calc R . . .
C30 C 0.2844(3) 0.1313(2) 0.47314(19) 0.0338(7) Uani 1 1 d . . . .
H30A H 0.3643 0.1259 0.4731 0.049(11) Uiso 1 1 calc R . . .
H30B H 0.3008 0.2069 0.4861 0.053(12) Uiso 1 1 calc R . . .
H30C H 0.2102 0.0963 0.4117 0.056(12) Uiso 1 1 calc R . . .
C31 C 0.7607(2) 0.43251(19) 0.48613(17) 0.0186(5) Uani 1 1 d . . . .
C32 C 0.8794(3) 0.4364(2) 0.55937(19) 0.0205(5) Uani 1 1 d . . . .
C33 C 0.9264(2) 0.5252(2) 0.63284(18) 0.0207(5) Uani 1 1 d . . . .
C34 C 0.8364(2) 0.57681(19) 0.60466(17) 0.0191(5) Uani 1 1 d . . . .
C35 C 0.7346(2) 0.51993(19) 0.51395(16) 0.0165(4) Uani 1 1 d . . . .
C36 C 0.6815(3) 0.3570(2) 0.39333(19) 0.0294(6) Uani 1 1 d . . . .
H36A H 0.5868 0.3392 0.3749 0.032(9) Uiso 1 1 calc R . . .
H36B H 0.6966 0.2915 0.3982 0.051(11) Uiso 1 1 calc R . . .
H36C H 0.7091 0.3907 0.3461 0.042(10) Uiso 1 1 calc R . . .
C37 C 0.9488(3) 0.3647(2) 0.5574(2) 0.0289(6) Uani 1 1 d . . . .
H37A H 0.8838 0.2955 0.5165 0.050(11) Uiso 1 1 calc R . . .
H37B H 0.9912 0.3542 0.6211 0.046(11) Uiso 1 1 calc R . . .
H37C H 1.0166 0.3979 0.5335 0.039(10) Uiso 1 1 calc R . . .
C38 C 1.0507(3) 0.5619(2) 0.7217(2) 0.0312(6) Uani 1 1 d . . . .
H38A H 1.0380 0.5953 0.7718 0.058(13) Uiso 1 1 calc R . . .
H38B H 1.1250 0.6140 0.7116 0.049(11) Uiso 1 1 calc R . . .
H38C H 1.0703 0.5004 0.7397 0.034(9) Uiso 1 1 calc R . . .
C39 C 0.8511(3) 0.6757(2) 0.6596(2) 0.0290(6) Uani 1 1 d . . . .
H39A H 0.9001 0.6803 0.7267 0.039(10) Uiso 1 1 calc R . . .
H39B H 0.7629 0.6726 0.6483 0.027(8) Uiso 1 1 calc R . . .
H39C H 0.8998 0.7387 0.6400 0.035(9) Uiso 1 1 calc R . . .
C40 C 0.6252(3) 0.5497(2) 0.45574(18) 0.0230(5) Uani 1 1 d . . . .
H40A H 0.5460 0.4847 0.4182 0.027(8) Uiso 1 1 calc R . . .
H40B H 0.6535 0.5948 0.4140 0.037(10) Uiso 1 1 calc R . . .
H40C H 0.6043 0.5891 0.4968 0.027(8) Uiso 1 1 calc R . . .
Rh1 Rh 0.51327(2) 0.30103(2) 0.84024(2) 0.01215(4) Uani 1 1 d . . . .
Rh2 Rh 0.62856(2) 0.16794(2) 0.82446(2) 0.01252(4) Uani 1 1 d . . . .
Rh3 Rh 0.38111(2) 0.13148(2) 0.69631(2) 0.01388(4) Uani 1 1 d . . . .
Rh4 Rh 0.60040(2) 0.29844(2) 0.70240(2) 0.01324(4) Uani 1 1 d . . . .
Rh5 Rh 0.72798(2) 0.41225(2) 0.61587(2) 0.01396(4) Uani 1 1 d . . . .
C1S C 1.0377(5) 0.0255(5) 0.9995(5) 0.0266(11) Uani 0.5005 1 d . P A -1
H1S1 H 1.0180 0.0742 0.9568 0.05(2) Uiso 0.5005 1 calc R P A -1
H1S2 H 1.1226 0.0241 1.0045 0.026(16) Uiso 0.5005 1 calc R P A -1
C2S C 0.9287(6) -0.0852(5) 0.9575(5) 0.0297(12) Uani 0.5 1 d . P A -1
H2S1 H 0.8448 -0.0840 0.9551 0.037(19) Uiso 0.5 1 calc R P A -1
H2S2 H 0.9503 -0.1340 0.9995 0.033(18) Uiso 0.5 1 calc R P A -1
C3S C 0.9060(8) -0.1304(7) 0.8597(6) 0.0409(16) Uani 0.5 1 d . P A -1
H3S1 H 0.8725 -0.0885 0.8156 0.06(3) Uiso 0.5 1 calc R P A -1
H3S2 H 0.8408 -0.2050 0.8404 0.03(2) Uiso 0.5 1 calc R P A -1
H3S3 H 0.9901 -0.1268 0.8599 0.04(2) Uiso 0.5 1 calc R P A -1
C4S C 1.0544(7) 0.0700(6) 1.0961(5) 0.0340(13) Uani 0.5 1 d . P A -1
H4S1 H 0.9720 0.0772 1.0900 0.08(3) Uiso 0.5 1 calc R P A -1
H4S2 H 1.0657 0.0178 1.1370 0.035(19) Uiso 0.5 1 calc R P A -1
C5S C 1.1704(9) 0.1766(7) 1.1432(6) 0.048(2) Uani 0.5 1 d . P A -1
H5S1 H 1.2531 0.1697 1.1525 0.06(2) Uiso 0.5 1 calc R P A -1
H5S2 H 1.1734 0.2004 1.2041 0.04(2) Uiso 0.5 1 calc R P A -1
H5S3 H 1.1600 0.2291 1.1035 0.04(2) Uiso 0.5 1 calc R P A -1
H1M H 0.452(4) 0.275(3) 0.715(3) 0.038(10) Uiso 1 1 d . . . .
H2M H 0.471(4) 0.162(3) 0.825(3) 0.040(10) Uiso 1 1 d . . . .
H3M H 0.654(3) 0.291(3) 0.823(2) 0.035(9) Uiso 1 1 d . . . .
H4M H 0.543(4) 0.162(3) 0.699(3) 0.049(11) Uiso 1 1 d . . . .
H5M H 0.587(7) 0.355(5) 0.596(5) 0.13(2) Uiso 1 1 d . . . .
H6M H 0.695(7) 0.423(6) 0.713(5) 0.15(3) Uiso 1 1 d . . . .
H7M H 0.712(6) 0.305(5) 0.642(4) 0.11(2) Uiso 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 0.0034 0.0017 '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'
Rh Rh -1.1020 0.9352 '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
C2 C1 C5 108.2(2) ?
C2 C1 C6 127.5(3) ?
C5 C1 C6 124.3(3) ?
C2 C1 Rh1 71.29(13) ?
C5 C1 Rh1 70.39(13) ?
C6 C1 Rh1 125.36(18) ?
C1 C2 C3 107.9(2) ?
C1 C2 C7 126.4(2) ?
C3 C2 C7 125.5(2) ?
C1 C2 Rh1 71.18(13) ?
C3 C2 Rh1 70.72(13) ?
C7 C2 Rh1 127.66(17) ?
C4 C3 C2 108.2(2) ?
C4 C3 C8 126.9(2) ?
C2 C3 C8 124.7(2) ?
C4 C3 Rh1 71.81(13) ?
C2 C3 Rh1 71.29(13) ?
C8 C3 Rh1 126.11(17) ?
C3 C4 C5 107.6(2) ?
C3 C4 C9 125.5(2) ?
C5 C4 C9 126.8(2) ?
C3 C4 Rh1 70.52(13) ?
C5 C4 Rh1 70.00(13) ?
C9 C4 Rh1 127.72(17) ?
C1 C5 C4 108.1(2) ?
C1 C5 C10 125.8(3) ?
C4 C5 C10 126.1(3) ?
C1 C5 Rh1 71.65(14) ?
C4 C5 Rh1 72.08(13) ?
C10 C5 Rh1 124.81(18) ?
C1 C6 H6A 109.5 ?
C1 C6 H6B 109.5 ?
H6A C6 H6B 109.5 ?
C1 C6 H6C 109.5 ?
H6A C6 H6C 109.5 ?
H6B C6 H6C 109.5 ?
C2 C7 H7A 109.5 ?
C2 C7 H7B 109.5 ?
H7A C7 H7B 109.5 ?
C2 C7 H7C 109.5 ?
H7A C7 H7C 109.5 ?
H7B C7 H7C 109.5 ?
C3 C8 H8A 109.5 ?
C3 C8 H8B 109.5 ?
H8A C8 H8B 109.5 ?
C3 C8 H8C 109.5 ?
H8A C8 H8C 109.5 ?
H8B C8 H8C 109.5 ?
C4 C9 H9A 109.5 ?
C4 C9 H9B 109.5 ?
H9A C9 H9B 109.5 ?
C4 C9 H9C 109.5 ?
H9A C9 H9C 109.5 ?
H9B C9 H9C 109.5 ?
C5 C10 H10A 109.5 ?
C5 C10 H10B 109.5 ?
H10A C10 H10B 109.5 ?
C5 C10 H10C 109.5 ?
H10A C10 H10C 109.5 ?
H10B C10 H10C 109.5 ?
C12 C11 C15 108.4(2) ?
C12 C11 C16 127.2(4) ?
C15 C11 C16 124.3(4) ?
C12 C11 Rh2 72.45(14) ?
C15 C11 Rh2 71.54(14) ?
C16 C11 Rh2 125.5(2) ?
C11 C12 C13 108.1(2) ?
C11 C12 C17 124.3(4) ?
C13 C12 C17 127.5(4) ?
C11 C12 Rh2 70.22(15) ?
C13 C12 Rh2 71.41(14) ?
C17 C12 Rh2 126.8(2) ?
C12 C13 C14 107.9(2) ?
C12 C13 C18 125.1(4) ?
C14 C13 C18 126.6(4) ?
C12 C13 Rh2 71.37(15) ?
C14 C13 Rh2 70.76(14) ?
C18 C13 Rh2 128.9(2) ?
C15 C14 C13 107.3(2) ?
C15 C14 C19 128.4(4) ?
C13 C14 C19 124.1(4) ?
C15 C14 Rh2 70.85(15) ?
C13 C14 Rh2 71.40(16) ?
C19 C14 Rh2 127.2(2) ?
C14 C15 C11 108.3(2) ?
C14 C15 C20 126.0(4) ?
C11 C15 C20 125.6(4) ?
C14 C15 Rh2 71.70(15) ?
C11 C15 Rh2 70.79(14) ?
C20 C15 Rh2 125.0(2) ?
C11 C16 H16A 109.5 ?
C11 C16 H16B 109.5 ?
H16A C16 H16B 109.5 ?
C11 C16 H16C 109.5 ?
H16A C16 H16C 109.5 ?
H16B C16 H16C 109.5 ?
C12 C17 H17A 109.5 ?
C12 C17 H17B 109.5 ?
H17A C17 H17B 109.5 ?
C12 C17 H17C 109.5 ?
H17A C17 H17C 109.5 ?
H17B C17 H17C 109.5 ?
C13 C18 H18A 109.5 ?
C13 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C13 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
C14 C19 H19A 109.5 ?
C14 C19 H19B 109.5 ?
H19A C19 H19B 109.5 ?
C14 C19 H19C 109.5 ?
H19A C19 H19C 109.5 ?
H19B C19 H19C 109.5 ?
C15 C20 H20A 109.5 ?
C15 C20 H20B 109.5 ?
H20A C20 H20B 109.5 ?
C15 C20 H20C 109.5 ?
H20A C20 H20C 109.5 ?
H20B C20 H20C 109.5 ?
C22 C21 C25 107.7(2) ?
C22 C21 C26 127.0(2) ?
C25 C21 C26 125.3(2) ?
C22 C21 Rh3 71.60(13) ?
C25 C21 Rh3 69.66(13) ?
C26 C21 Rh3 125.50(17) ?
C21 C22 C23 108.0(2) ?
C21 C22 C27 126.6(2) ?
C23 C22 C27 125.0(2) ?
C21 C22 Rh3 70.78(13) ?
C23 C22 Rh3 71.29(14) ?
C27 C22 Rh3 129.49(18) ?
C24 C23 C22 108.4(2) ?
C24 C23 C28 127.0(3) ?
C22 C23 C28 124.4(3) ?
C24 C23 Rh3 71.90(15) ?
C22 C23 Rh3 70.82(13) ?
C28 C23 Rh3 127.98(19) ?
C23 C24 C25 107.8(2) ?
C23 C24 C29 126.7(3) ?
C25 C24 C29 125.3(3) ?
C23 C24 Rh3 70.98(14) ?
C25 C24 Rh3 68.72(14) ?
C29 C24 Rh3 130.01(18) ?
C24 C25 C21 108.1(2) ?
C24 C25 C30 126.0(3) ?
C21 C25 C30 125.8(2) ?
C24 C25 Rh3 73.24(15) ?
C21 C25 Rh3 71.98(14) ?
C30 C25 Rh3 123.10(18) ?
C21 C26 H26A 109.5 ?
C21 C26 H26B 109.5 ?
H26A C26 H26B 109.5 ?
C21 C26 H26C 109.5 ?
H26A C26 H26C 109.5 ?
H26B C26 H26C 109.5 ?
C22 C27 H27A 109.5 ?
C22 C27 H27B 109.5 ?
H27A C27 H27B 109.5 ?
C22 C27 H27C 109.5 ?
H27A C27 H27C 109.5 ?
H27B C27 H27C 109.5 ?
C23 C28 H28A 109.5 ?
C23 C28 H28B 109.5 ?
H28A C28 H28B 109.5 ?
C23 C28 H28C 109.5 ?
H28A C28 H28C 109.5 ?
H28B C28 H28C 109.5 ?
C24 C29 H29A 109.5 ?
C24 C29 H29B 109.5 ?
H29A C29 H29B 109.5 ?
C24 C29 H29C 109.5 ?
H29A C29 H29C 109.5 ?
H29B C29 H29C 109.5 ?
C25 C30 H30A 109.5 ?
C25 C30 H30B 109.5 ?
H30A C30 H30B 109.5 ?
C25 C30 H30C 109.5 ?
H30A C30 H30C 109.5 ?
H30B C30 H30C 109.5 ?
C32 C31 C35 108.0(2) ?
C32 C31 C36 127.0(2) ?
C35 C31 C36 124.8(2) ?
C32 C31 Rh5 70.98(14) ?
C35 C31 Rh5 71.22(13) ?
C36 C31 Rh5 126.87(18) ?
C33 C32 C31 108.2(2) ?
C33 C32 C37 125.3(2) ?
C31 C32 C37 126.4(3) ?
C33 C32 Rh5 70.74(14) ?
C31 C32 Rh5 71.22(13) ?
C37 C32 Rh5 126.83(17) ?
C32 C33 C34 107.8(2) ?
C32 C33 C38 126.5(2) ?
C34 C33 C38 125.6(2) ?
C32 C33 Rh5 71.42(14) ?
C34 C33 Rh5 70.91(14) ?
C38 C33 Rh5 125.34(19) ?
C35 C34 C33 108.1(2) ?
C35 C34 C39 126.3(2) ?
C33 C34 C39 125.5(2) ?
C35 C34 Rh5 71.72(13) ?
C33 C34 Rh5 70.89(14) ?
C39 C34 Rh5 125.01(19) ?
C34 C35 C31 107.8(2) ?
C34 C35 C40 126.2(2) ?
C31 C35 C40 125.8(2) ?
C34 C35 Rh5 70.51(13) ?
C31 C35 Rh5 70.91(13) ?
C40 C35 Rh5 126.89(17) ?
C31 C36 H36A 109.5 ?
C31 C36 H36B 109.5 ?
H36A C36 H36B 109.5 ?
C31 C36 H36C 109.5 ?
H36A C36 H36C 109.5 ?
H36B C36 H36C 109.5 ?
C32 C37 H37A 109.5 ?
C32 C37 H37B 109.5 ?
H37A C37 H37B 109.5 ?
C32 C37 H37C 109.5 ?
H37A C37 H37C 109.5 ?
H37B C37 H37C 109.5 ?
C33 C38 H38A 109.5 ?
C33 C38 H38B 109.5 ?
H38A C38 H38B 109.5 ?
C33 C38 H38C 109.5 ?
H38A C38 H38C 109.5 ?
H38B C38 H38C 109.5 ?
C34 C39 H39A 109.5 ?
C34 C39 H39B 109.5 ?
H39A C39 H39B 109.5 ?
C34 C39 H39C 109.5 ?
H39A C39 H39C 109.5 ?
H39B C39 H39C 109.5 ?
C35 C40 H40A 109.5 ?
C35 C40 H40B 109.5 ?
H40A C40 H40B 109.5 ?
C35 C40 H40C 109.5 ?
H40A C40 H40C 109.5 ?
H40B C40 H40C 109.5 ?
C5 Rh1 C3 63.38(9) y
C5 Rh1 C1 37.96(10) y
C3 Rh1 C1 63.15(9) y
C5 Rh1 C2 63.32(9) y
C3 Rh1 C2 37.99(8) y
C1 Rh1 C2 37.53(9) y
C5 Rh1 C4 37.92(9) y
C3 Rh1 C4 37.66(9) y
C1 Rh1 C4 63.16(9) y
C2 Rh1 C4 63.17(9) y
C5 Rh1 Rh3 139.23(7) y
C3 Rh1 Rh3 119.11(6) y
C1 Rh1 Rh3 176.08(7) y
C2 Rh1 Rh3 146.22(7) y
C4 Rh1 Rh3 116.34(6) y
C5 Rh1 Rh2 149.69(7) y
C3 Rh1 Rh2 135.51(6) y
C1 Rh1 Rh2 120.67(7) y
C2 Rh1 Rh2 114.61(6) y
C4 Rh1 Rh2 171.56(7) y
Rh3 Rh1 Rh2 60.409(7) y
C5 Rh1 Rh4 106.14(7) y
C3 Rh1 Rh4 164.58(6) y
C1 Rh1 Rh4 116.42(7) y
C2 Rh1 Rh4 149.77(6) y
C4 Rh1 Rh4 127.19(6) y
Rh3 Rh1 Rh4 60.462(7) y
Rh2 Rh1 Rh4 59.178(6) y
C5 Rh1 H1M 102.2(11) y
C3 Rh1 H1M 128.5(12) y
C1 Rh1 H1M 134.6(12) y
C2 Rh1 H1M 162.7(11) y
C4 Rh1 H1M 99.6(11) y
Rh3 Rh1 H1M 41.5(11) y
Rh2 Rh1 H1M 82.7(11) y
Rh4 Rh1 H1M 39.6(11) y
C5 Rh1 H2M 166.3(12) y
C3 Rh1 H2M 103.3(12) y
C1 Rh1 H2M 140.7(12) y
C2 Rh1 H2M 108.5(12) y
C4 Rh1 H2M 129.3(12) y
Rh3 Rh1 H2M 42.9(12) y
Rh2 Rh1 H2M 42.6(12) y
Rh4 Rh1 H2M 86.3(12) y
H1M Rh1 H2M 83.6(16) y
C5 Rh1 H3M 115.6(11) y
C3 Rh1 H3M 153.0(11) y
C1 Rh1 H3M 98.8(11) y
C2 Rh1 H3M 115.6(11) y
C4 Rh1 H3M 153.0(11) y
Rh3 Rh1 H3M 80.2(11) y
Rh2 Rh1 H3M 35.3(11) y
Rh4 Rh1 H3M 40.4(11) y
H1M Rh1 H3M 78.5(16) y
H2M Rh1 H3M 77.5(16) y
C11 Rh2 C15 37.67(12) y
C11 Rh2 C14 62.91(10) y
C15 Rh2 C14 37.45(11) y
C11 Rh2 C12 37.33(11) y
C15 Rh2 C12 62.54(10) y
C14 Rh2 C12 62.77(10) y
C11 Rh2 C13 62.53(10) y
C15 Rh2 C13 62.65(10) y
C14 Rh2 C13 37.83(11) y
C12 Rh2 C13 37.22(11) y
C11 Rh2 Rh4 102.21(7) y
C15 Rh2 Rh4 112.47(7) y
C14 Rh2 Rh4 146.77(8) y
C12 Rh2 Rh4 124.34(8) y
C13 Rh2 Rh4 161.56(8) y
C11 Rh2 Rh1 136.96(8) y
C15 Rh2 Rh1 171.99(8) y
C14 Rh2 Rh1 150.38(8) y
C12 Rh2 Rh1 117.03(7) y
C13 Rh2 Rh1 122.44(8) y
Rh4 Rh2 Rh1 60.599(7) y
C11 Rh2 Rh3 149.69(8) y
C15 Rh2 Rh3 121.83(7) y
C14 Rh2 Rh3 116.52(7) y
C12 Rh2 Rh3 172.74(8) y
C13 Rh2 Rh3 137.67(8) y
Rh4 Rh2 Rh3 60.656(7) y
Rh1 Rh2 Rh3 59.573(7) y
C11 Rh2 H2M 167.7(11) y
C15 Rh2 H2M 146.5(11) y
C14 Rh2 H2M 114.4(11) y
C12 Rh2 H2M 130.3(11) y
C13 Rh2 H2M 107.5(11) y
Rh4 Rh2 H2M 86.1(11) y
Rh1 Rh2 H2M 40.5(11) y
Rh3 Rh2 H2M 42.6(11) y
C11 Rh2 H3M 99.2(12) y
C15 Rh2 H3M 131.1(12) y
C14 Rh2 H3M 160.2(13) y
C12 Rh2 H3M 98.0(13) y
C13 Rh2 H3M 128.0(13) y
Rh4 Rh2 H3M 40.0(12) y
Rh1 Rh2 H3M 41.1(12) y
Rh3 Rh2 H3M 83.1(12) y
H2M Rh2 H3M 81.2(17) y
C11 Rh2 H4M 109.5(12) y
C15 Rh2 H4M 94.0(12) y
C14 Rh2 H4M 113.8(12) y
C12 Rh2 H4M 146.4(12) y
C13 Rh2 H4M 151.6(12) y
Rh4 Rh2 H4M 39.9(12) y
Rh1 Rh2 H4M 82.8(12) y
Rh3 Rh2 H4M 40.9(12) y
H2M Rh2 H4M 82.7(17) y
H3M Rh2 H4M 79.0(17) y
C25 Rh3 C21 38.36(9) y
C25 Rh3 C22 63.58(10) y
C21 Rh3 C22 37.62(9) y
C25 Rh3 C23 63.31(11) y
C21 Rh3 C23 63.16(9) y
C22 Rh3 C23 37.89(9) y
C25 Rh3 C24 38.04(10) y
C21 Rh3 C24 63.26(9) y
C22 Rh3 C24 62.82(10) y
C23 Rh3 C24 37.12(11) y
C25 Rh3 Rh1 143.87(7) y
C21 Rh3 Rh1 177.38(6) y
C22 Rh3 Rh1 142.44(7) y
C23 Rh3 Rh1 118.52(7) y
C24 Rh3 Rh1 119.33(7) y
C25 Rh3 Rh2 143.26(7) y
C21 Rh3 Rh2 117.38(6) y
C22 Rh3 Rh2 116.79(7) y
C23 Rh3 Rh2 141.72(8) y
C24 Rh3 Rh2 178.56(8) y
Rh1 Rh3 Rh2 60.018(7) y
C25 Rh3 Rh4 104.09(8) y
C21 Rh3 Rh4 119.14(7) y
C22 Rh3 Rh4 154.87(6) y
C23 Rh3 Rh4 158.13(8) y
C24 Rh3 Rh4 122.05(8) y
Rh1 Rh3 Rh4 60.175(7) y
Rh2 Rh3 Rh4 58.959(7) y
C25 Rh3 H1M 105.2(11) y
C21 Rh3 H1M 140.3(11) y
C22 Rh3 H1M 160.3(11) y
C23 Rh3 H1M 123.3(11) y
C24 Rh3 H1M 98.2(11) y
Rh1 Rh3 H1M 41.0(11) y
Rh2 Rh3 H1M 82.1(11) y
Rh4 Rh3 H1M 39.5(11) y
C25 Rh3 H2M 171.2(11) y
C21 Rh3 H2M 137.3(11) y
C22 Rh3 H2M 108.6(11) y
C23 Rh3 H2M 108.2(11) y
C24 Rh3 H2M 136.0(11) y
Rh1 Rh3 H2M 40.8(11) y
Rh2 Rh3 H2M 42.6(11) y
Rh4 Rh3 H2M 84.7(11) y
H1M Rh3 H2M 81.0(16) y
C25 Rh3 H4M 103.6(13) y
C21 Rh3 H4M 94.4(12) y
C22 Rh3 H4M 119.8(12) y
C23 Rh3 H4M 156.7(13) y
C24 Rh3 H4M 139.7(13) y
Rh1 Rh3 H4M 83.7(13) y
Rh2 Rh3 H4M 41.8(13) y
Rh4 Rh3 H4M 38.6(12) y
H1M Rh3 H4M 77.6(17) y
H2M Rh3 H4M 83.5(17) y
Rh5 Rh4 Rh2 139.142(9) y
Rh5 Rh4 Rh1 145.351(9) y
Rh2 Rh4 Rh1 60.223(7) y
Rh5 Rh4 Rh3 149.203(10) y
Rh2 Rh4 Rh3 60.385(7) y
Rh1 Rh4 Rh3 59.363(7) y
Rh5 Rh4 H1M 136.7(12) y
Rh2 Rh4 H1M 84.0(12) y
Rh1 Rh4 H1M 40.2(12) y
Rh3 Rh4 H1M 40.6(12) y
Rh5 Rh4 H3M 130.0(11) y
Rh2 Rh4 H3M 35.6(11) y
Rh1 Rh4 H3M 41.9(11) y
Rh3 Rh4 H3M 80.2(11) y
H1M Rh4 H3M 80.5(16) y
Rh5 Rh4 H4M 130.2(13) y
Rh2 Rh4 H4M 42.5(13) y
Rh1 Rh4 H4M 84.1(13) y
Rh3 Rh4 H4M 40.2(13) y
H1M Rh4 H4M 80.3(17) y
H3M Rh4 H4M 77.2(17) y
Rh5 Rh4 H5M 35(2) y
Rh2 Rh4 H5M 161(2) y
Rh1 Rh4 H5M 137(2) y
Rh3 Rh4 H5M 118(2) y
H1M Rh4 H5M 106(2) y
H3M Rh4 H5M 160(2) y
H4M Rh4 H5M 122(2) y
Rh5 Rh4 H6M 42(3) y
Rh2 Rh4 H6M 129(3) y
Rh1 Rh4 H6M 104(3) y
Rh3 Rh4 H6M 156(2) y
H1M Rh4 H6M 115(3) y
H3M Rh4 H6M 99(3) y
H4M Rh4 H6M 163(3) y
H5M Rh4 H6M 61(3) y
Rh5 Rh4 H7M 35.9(18) y
Rh2 Rh4 H7M 107.9(18) y
Rh1 Rh4 H7M 161.0(18) y
Rh3 Rh4 H7M 130.3(18) y
H1M Rh4 H7M 159(2) y
H3M Rh4 H7M 120(2) y
H4M Rh4 H7M 96(2) y
H5M Rh4 H7M 58(3) y
H6M Rh4 H7M 71(3) y
C33 Rh5 C34 38.20(9) ?
C33 Rh5 C32 37.84(10) ?
C34 Rh5 C32 63.45(9) ?
C33 Rh5 C31 63.38(10) ?
C34 Rh5 C31 63.34(9) ?
C32 Rh5 C31 37.80(9) ?
C33 Rh5 C35 63.48(9) ?
C34 Rh5 C35 37.78(9) ?
C32 Rh5 C35 63.29(9) ?
C31 Rh5 C35 37.87(9) ?
C33 Rh5 Rh4 143.37(7) ?
C34 Rh5 Rh4 144.68(7) ?
C32 Rh5 Rh4 146.21(6) ?
C31 Rh5 Rh4 149.38(7) ?
C35 Rh5 Rh4 148.40(6) ?
C33 Rh5 H5M 168(3) ?
C34 Rh5 H5M 129(3) ?
C32 Rh5 H5M 145(3) ?
C31 Rh5 H5M 112(3) ?
C35 Rh5 H5M 106(3) ?
Rh4 Rh5 H5M 45(3) ?
C33 Rh5 H6M 114(2) ?
C34 Rh5 H6M 106(2) ?
C32 Rh5 H6M 148(2) ?
C31 Rh5 H6M 166(2) ?
C35 Rh5 H6M 128(2) ?
Rh4 Rh5 H6M 39(2) ?
H5M Rh5 H6M 67(3) ?
C33 Rh5 H7M 118(2) ?
C34 Rh5 H7M 156(2) ?
C32 Rh5 H7M 100(2) ?
C31 Rh5 H7M 115(2) ?
C35 Rh5 H7M 151(2) ?
Rh4 Rh5 H7M 47(2) ?
H5M Rh5 H7M 74(3) ?
H6M Rh5 H7M 79(3) ?
C2S C1S C4S 113.4(5) ?
C2S C1S H1S1 108.9 ?
C4S C1S H1S1 108.9 ?
C2S C1S H1S2 108.9 ?
C4S C1S H1S2 108.9 ?
H1S1 C1S H1S2 107.7 ?
C1S C2S C3S 114.7(6) ?
C1S C2S H2S1 108.6 ?
C3S C2S H2S1 108.6 ?
C1S C2S H2S2 108.6 ?
C3S C2S H2S2 108.6 ?
H2S1 C2S H2S2 107.6 ?
C2S C3S H3S1 109.5 ?
C2S C3S H3S2 109.5 ?
H3S1 C3S H3S2 109.5 ?
C2S C3S H3S3 109.5 ?
H3S1 C3S H3S3 109.5 ?
H3S2 C3S H3S3 109.5 ?
C5S C4S C1S 114.3(6) ?
C5S C4S H4S1 108.7 ?
C1S C4S H4S1 108.7 ?
C5S C4S H4S2 108.7 ?
C1S C4S H4S2 108.7 ?
H4S1 C4S H4S2 107.6 ?
C4S C5S H5S1 109.5 ?
C4S C5S H5S2 109.5 ?
H5S1 C5S H5S2 109.5 ?
C4S C5S H5S3 109.5 ?
H5S1 C5S H5S3 109.5 ?
H5S2 C5S H5S3 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Rh1 H1M 1.78(4) y
Rh1 H2M 1.77(4) y
Rh1 H3M 1.83(3) y
Rh2 H2M 1.85(4) y
Rh2 H3M 1.61(3) y
Rh2 H4M 1.83(4) y
Rh3 H1M 1.80(4) y
Rh3 H2M 1.85(4) y
Rh3 H4M 1.79(4) y
Rh4 H1M 1.76(4) y
Rh4 H3M 1.78(3) y
Rh4 H4M 1.73(4) y
Rh4 H5M 1.84(7) y
Rh4 H6M 1.63(7) y
Rh4 H7M 1.87(6) y
Rh5 H5M 1.47(7) y
Rh5 H6M 1.72(7) y
Rh5 H7M 1.51(6) y
Rh1 Rh3 2.6975(3) y
Rh1 Rh2 2.7098(3) y
Rh1 Rh4 2.7199(3) y
Rh2 Rh4 2.6810(3) y
Rh2 Rh3 2.7204(3) y
Rh3 Rh4 2.7277(3) y
Rh4 Rh5 2.5475(3) y
C1 C2 1.422(4) ?
C1 C5 1.432(4) ?
C1 C6 1.502(4) ?
C1 Rh1 2.210(2) ?
C2 C3 1.437(3) ?
C2 C7 1.495(4) ?
C2 Rh1 2.212(2) ?
C3 C4 1.429(3) ?
C3 C8 1.497(3) ?
C3 Rh1 2.204(2) ?
C4 C5 1.435(4) ?
C4 C9 1.501(3) ?
C4 Rh1 2.221(2) ?
C5 C10 1.494(4) ?
C5 Rh1 2.194(2) ?
C6 H6A 0.9800 ?
C6 H6B 0.9800 ?
C6 H6C 0.9800 ?
C7 H7A 0.9800 ?
C7 H7B 0.9800 ?
C7 H7C 0.9800 ?
C8 H8A 0.9800 ?
C8 H8B 0.9800 ?
C8 H8C 0.9800 ?
C9 H9A 0.9800 ?
C9 H9B 0.9800 ?
C9 H9C 0.9800 ?
C10 H10A 0.9800 ?
C10 H10B 0.9800 ?
C10 H10C 0.9800 ?
C11 C12 1.409(4) ?
C11 C15 1.415(4) ?
C11 C16 1.500(4) ?
C11 Rh2 2.187(2) ?
C12 C13 1.414(4) ?
C12 C17 1.502(4) ?
C12 Rh2 2.215(2) ?
C13 C14 1.434(4) ?
C13 C18 1.491(4) ?
C13 Rh2 2.216(3) ?
C14 C15 1.414(4) ?
C14 C19 1.495(4) ?
C14 Rh2 2.207(3) ?
C15 C20 1.495(4) ?
C15 Rh2 2.196(2) ?
C16 H16A 0.9800 ?
C16 H16B 0.9800 ?
C16 H16C 0.9800 ?
C17 H17A 0.9800 ?
C17 H17B 0.9800 ?
C17 H17C 0.9800 ?
C18 H18A 0.9800 ?
C18 H18B 0.9800 ?
C18 H18C 0.9800 ?
C19 H19A 0.9800 ?
C19 H19B 0.9800 ?
C19 H19C 0.9800 ?
C20 H20A 0.9800 ?
C20 H20B 0.9800 ?
C20 H20C 0.9800 ?
C21 C22 1.428(4) ?
C21 C25 1.442(3) ?
C21 C26 1.494(3) ?
C21 Rh3 2.209(2) ?
C22 C23 1.444(4) ?
C22 C27 1.493(4) ?
C22 Rh3 2.220(2) ?
C23 C24 1.421(4) ?
C23 C28 1.498(4) ?
C23 Rh3 2.226(2) ?
C24 C25 1.441(4) ?
C24 C29 1.496(4) ?
C24 Rh3 2.238(2) ?
C25 C30 1.498(4) ?
C25 Rh3 2.178(2) ?
C26 H26A 0.9800 ?
C26 H26B 0.9800 ?
C26 H26C 0.9800 ?
C27 H27A 0.9800 ?
C27 H27B 0.9800 ?
C27 H27C 0.9800 ?
C28 H28A 0.9800 ?
C28 H28B 0.9800 ?
C28 H28C 0.9800 ?
C29 H29A 0.9800 ?
C29 H29B 0.9800 ?
C29 H29C 0.9800 ?
C30 H30A 0.9800 ?
C30 H30B 0.9800 ?
C30 H30C 0.9800 ?
C31 C32 1.432(4) ?
C31 C35 1.437(3) ?
C31 C36 1.495(4) ?
C31 Rh5 2.212(2) ?
C32 C33 1.430(4) ?
C32 C37 1.505(3) ?
C32 Rh5 2.209(2) ?
C33 C34 1.440(3) ?
C33 C38 1.501(4) ?
C33 Rh5 2.200(2) ?
C34 C35 1.430(3) ?
C34 C39 1.499(4) ?
C34 Rh5 2.200(2) ?
C35 C40 1.493(3) ?
C35 Rh5 2.216(2) ?
C36 H36A 0.9800 ?
C36 H36B 0.9800 ?
C36 H36C 0.9800 ?
C37 H37A 0.9800 ?
C37 H37B 0.9800 ?
C37 H37C 0.9800 ?
C38 H38A 0.9800 ?
C38 H38B 0.9800 ?
C38 H38C 0.9800 ?
C39 H39A 0.9800 ?
C39 H39B 0.9800 ?
C39 H39C 0.9800 ?
C40 H40A 0.9800 ?
C40 H40B 0.9800 ?
C40 H40C 0.9800 ?
C1S C2S 1.506(10) ?
C1S C4S 1.524(10) ?
C1S H1S1 0.9900 ?
C1S H1S2 0.9900 ?
C2S C3S 1.518(10) ?
C2S H2S1 0.9900 ?
C2S H2S2 0.9900 ?
C3S H3S1 0.9800 ?
C3S H3S2 0.9800 ?
C3S H3S3 0.9800 ?
C4S C5S 1.506(11) ?
C4S H4S1 0.9900 ?
C4S H4S2 0.9900 ?
C5S H5S1 0.9800 ?
C5S H5S2 0.9800 ?
C5S H5S3 0.9800 ?
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
C5 C1 C2 C3 -0.5(3)
C6 C1 C2 C3 177.8(2)
Rh1 C1 C2 C3 -61.55(16)
C5 C1 C2 C7 -175.5(2)
C6 C1 C2 C7 2.7(4)
Rh1 C1 C2 C7 123.4(2)
C5 C1 C2 Rh1 61.05(16)
C6 C1 C2 Rh1 -120.7(3)
C1 C2 C3 C4 -0.9(3)
C7 C2 C3 C4 174.2(2)
Rh1 C2 C3 C4 -62.71(16)
C1 C2 C3 C8 -176.7(2)
C7 C2 C3 C8 -1.6(4)
Rh1 C2 C3 C8 121.5(2)
C1 C2 C3 Rh1 61.85(16)
C7 C2 C3 Rh1 -123.1(2)
C2 C3 C4 C5 1.9(3)
C8 C3 C4 C5 177.6(2)
Rh1 C3 C4 C5 -60.48(16)
C2 C3 C4 C9 -174.6(2)
C8 C3 C4 C9 1.1(4)
Rh1 C3 C4 C9 123.0(2)
C2 C3 C4 Rh1 62.38(16)
C8 C3 C4 Rh1 -121.9(2)
C2 C1 C5 C4 1.7(3)
C6 C1 C5 C4 -176.7(2)
Rh1 C1 C5 C4 63.30(16)
C2 C1 C5 C10 178.2(2)
C6 C1 C5 C10 -0.1(4)
Rh1 C1 C5 C10 -120.1(2)
C2 C1 C5 Rh1 -61.62(16)
C6 C1 C5 Rh1 120.0(2)
C3 C4 C5 C1 -2.2(3)
C9 C4 C5 C1 174.2(2)
Rh1 C4 C5 C1 -63.02(16)
C3 C4 C5 C10 -178.7(2)
C9 C4 C5 C10 -2.3(4)
Rh1 C4 C5 C10 120.4(2)
C3 C4 C5 Rh1 60.82(16)
C9 C4 C5 Rh1 -122.7(2)
C15 C11 C12 C13 -1.2(3)
C16 C11 C12 C13 -176.6(3)
Rh2 C11 C12 C13 61.73(18)
C15 C11 C12 C17 175.4(3)
C16 C11 C12 C17 0.0(5)
Rh2 C11 C12 C17 -121.7(3)
C15 C11 C12 Rh2 -62.93(17)
C16 C11 C12 Rh2 121.7(3)
C11 C12 C13 C14 0.7(3)
C17 C12 C13 C14 -175.8(3)
Rh2 C12 C13 C14 61.67(18)
C11 C12 C13 C18 174.0(3)
C17 C12 C13 C18 -2.5(5)
Rh2 C12 C13 C18 -125.0(3)
C11 C12 C13 Rh2 -60.97(18)
C17 C12 C13 Rh2 122.6(3)
C12 C13 C14 C15 0.1(3)
C18 C13 C14 C15 -173.1(3)
Rh2 C13 C14 C15 62.13(17)
C12 C13 C14 C19 175.1(3)
C18 C13 C14 C19 1.9(5)
Rh2 C13 C14 C19 -122.9(3)
C12 C13 C14 Rh2 -62.06(18)
C18 C13 C14 Rh2 124.8(3)
C13 C14 C15 C11 -0.8(3)
C19 C14 C15 C11 -175.5(3)
Rh2 C14 C15 C11 61.68(17)
C13 C14 C15 C20 177.1(3)
C19 C14 C15 C20 2.4(5)
Rh2 C14 C15 C20 -120.4(3)
C13 C14 C15 Rh2 -62.49(18)
C19 C14 C15 Rh2 122.8(3)
C12 C11 C15 C14 1.3(3)
C16 C11 C15 C14 176.8(3)
Rh2 C11 C15 C14 -62.26(18)
C12 C11 C15 C20 -176.7(3)
C16 C11 C15 C20 -1.1(4)
Rh2 C11 C15 C20 119.8(3)
C12 C11 C15 Rh2 63.52(18)
C16 C11 C15 Rh2 -120.9(3)
C25 C21 C22 C23 1.3(3)
C26 C21 C22 C23 -177.0(2)
Rh3 C21 C22 C23 61.95(16)
C25 C21 C22 C27 173.9(2)
C26 C21 C22 C27 -4.4(4)
Rh3 C21 C22 C27 -125.4(2)
C25 C21 C22 Rh3 -60.62(16)
C26 C21 C22 Rh3 121.0(2)
C21 C22 C23 C24 0.8(3)
C27 C22 C23 C24 -171.9(2)
Rh3 C22 C23 C24 62.47(17)
C21 C22 C23 C28 174.9(2)
C27 C22 C23 C28 2.2(4)
Rh3 C22 C23 C28 -123.5(3)
C21 C22 C23 Rh3 -61.62(16)
C27 C22 C23 Rh3 125.6(2)
C22 C23 C24 C25 -2.7(3)
C28 C23 C24 C25 -176.6(2)
Rh3 C23 C24 C25 59.09(16)
C22 C23 C24 C29 172.0(2)
C28 C23 C24 C29 -1.9(4)
Rh3 C23 C24 C29 -126.2(3)
C22 C23 C24 Rh3 -61.78(16)
C28 C23 C24 Rh3 124.4(3)
C23 C24 C25 C21 3.5(3)
C29 C24 C25 C21 -171.3(2)
Rh3 C24 C25 C21 64.02(16)
C23 C24 C25 C30 -179.6(2)
C29 C24 C25 C30 5.6(4)
Rh3 C24 C25 C30 -119.1(3)
C23 C24 C25 Rh3 -60.51(17)
C29 C24 C25 Rh3 124.7(2)
C22 C21 C25 C24 -3.0(3)
C26 C21 C25 C24 175.4(2)
Rh3 C21 C25 C24 -64.84(16)
C22 C21 C25 C30 -179.9(2)
C26 C21 C25 C30 -1.5(4)
Rh3 C21 C25 C30 118.3(3)
C22 C21 C25 Rh3 61.86(16)
C26 C21 C25 Rh3 -119.8(2)
C35 C31 C32 C33 0.5(3)
C36 C31 C32 C33 176.2(2)
Rh5 C31 C32 C33 -61.42(17)
C35 C31 C32 C37 -175.7(2)
C36 C31 C32 C37 0.1(4)
Rh5 C31 C32 C37 122.4(2)
C35 C31 C32 Rh5 61.94(16)
C36 C31 C32 Rh5 -122.3(3)
C31 C32 C33 C34 -0.2(3)
C37 C32 C33 C34 176.0(2)
Rh5 C32 C33 C34 -61.94(17)
C31 C32 C33 C38 -177.6(2)
C37 C32 C33 C38 -1.4(4)
Rh5 C32 C33 C38 120.7(3)
C31 C32 C33 Rh5 61.73(16)
C37 C32 C33 Rh5 -122.1(2)
C32 C33 C34 C35 -0.2(3)
C38 C33 C34 C35 177.2(2)
Rh5 C33 C34 C35 -62.44(17)
C32 C33 C34 C39 -177.8(2)
C38 C33 C34 C39 -0.4(4)
Rh5 C33 C34 C39 119.9(3)
C32 C33 C34 Rh5 62.27(17)
C38 C33 C34 Rh5 -120.3(3)
C33 C34 C35 C31 0.5(3)
C39 C34 C35 C31 178.1(2)
Rh5 C34 C35 C31 -61.42(16)
C33 C34 C35 C40 -176.1(2)
C39 C34 C35 C40 1.5(4)
Rh5 C34 C35 C40 122.0(2)
C33 C34 C35 Rh5 61.91(17)
C39 C34 C35 Rh5 -120.5(3)
C32 C31 C35 C34 -0.6(3)
C36 C31 C35 C34 -176.5(2)
Rh5 C31 C35 C34 61.16(16)
C32 C31 C35 C40 176.0(2)
C36 C31 C35 C40 0.1(4)
Rh5 C31 C35 C40 -122.3(2)
C32 C31 C35 Rh5 -61.78(16)
C36 C31 C35 Rh5 122.4(2)
C4S C1S C2S C3S 177.9(5)
C2S C1S C4S C5S 175.0(5)
