#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:45:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179261 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/81/4318103.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_4318103
loop_
_publ_author_name
'Shaowu Du'
'Jason A. Kautz'
'Thomas D. McGrath'
'F. Gordon A. Stone'
_publ_contact_author_address
; Department of Chemistry
   Baylor University
   PO Box 97348
   Waco
   TX, 76798-7348
;
_publ_contact_author_email       Gordon_Stone@baylor.edu
_publ_contact_author_fax         '254 710 2403'
_publ_contact_author_name        'Prof. F. Gordon A. Stone'
_publ_contact_author_phone       '254 710 4427'
_publ_section_title
;
 Unprecedented Cage-Carbon to Cage-Boron NMe3 Transfer in a Monocarbon
 Molybdenacarborane
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3202
_journal_page_last               3211
_journal_paper_doi               10.1021/ic020091w
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C25 H40 B10 Mo O4 Rh2'
_chemical_formula_weight         814.43
_chemical_name_systematic
;
  ?
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.713(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.368(3)
_cell_length_b                   15.829(3)
_cell_length_c                   21.202(4)
_cell_measurement_reflns_used    250
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      5
_cell_volume                     6258.5(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker Smart CCD area detector'
_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  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            39212
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.66
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    1.469
_exptl_absorpt_correction_T_max  0.5980
_exptl_absorpt_correction_T_min  0.3864
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             3232
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.35
_refine_diff_density_max         1.918
_refine_diff_density_min         -0.906
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     763
_refine_ls_number_reflns         14313
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0394P)²+2.4070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0864
_reflns_number_gt                10340
_reflns_number_total             14313
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020091w_1.cif
_cod_data_source_block           10
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0394P)^2^+2.4070P] 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^)+(0.0394P)^2^+2.4070P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6258.5(18)
_cod_database_code               4318103
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.214965(16) 0.197904(19) 0.883402(16) 0.02018(7) Uani 1 d . . .
Rh1 Rh 0.067791(15) 0.161040(18) 0.809356(15) 0.02128(7) Uani 1 d . . .
Rh2 Rh 0.117670(15) 0.227626(19) 0.942701(15) 0.02198(7) Uani 1 d . . .
C1 C 0.2759(2) 0.3109(3) 0.8560(2) 0.0338(10) Uani 1 d . . .
H1 H 0.3310 0.2870 0.8661 0.041 Uiso 1 calc R . .
B2 B 0.2534(2) 0.3335(3) 0.9241(2) 0.0264(10) Uani 1 d . . .
H2 H 0.2921 0.3269 0.9791 0.032 Uiso 1 calc R . .
B3 B 0.1573(2) 0.3163(3) 0.8913(2) 0.0225(9) Uani 1 d . . .
B4 B 0.1300(2) 0.2816(3) 0.8044(2) 0.0253(9) Uani 1 d . . .
H4 H 0.070(2) 0.248(2) 0.772(2) 0.030 Uiso 1 d . . .
B5 B 0.2061(3) 0.2759(3) 0.7844(2) 0.0306(10) Uani 1 d . . .
H5 H 0.2128 0.2303 0.7470 0.037 Uiso 1 calc R . .
B6 B 0.2670(3) 0.4162(3) 0.8743(2) 0.0336(11) Uani 1 d . . .
H6 H 0.3129 0.4615 0.8966 0.040 Uiso 1 calc R . .
B7 B 0.1922(3) 0.4196(3) 0.8973(2) 0.0330(11) Uani 1 d . . .
H7 H 0.1888 0.4664 0.9355 0.040 Uiso 1 calc R . .
B8 B 0.1158(3) 0.3878(3) 0.8240(2) 0.0323(11) Uani 1 d . . .
H8 H 0.0613 0.4140 0.8135 0.039 Uiso 1 calc R . .
B9 B 0.1454(3) 0.3621(3) 0.7553(3) 0.0384(12) Uani 1 d . . .
H9 H 0.1106 0.3713 0.6994 0.046 Uiso 1 calc R . .
B10 B 0.2384(3) 0.3804(3) 0.7887(3) 0.0387(12) Uani 1 d . . .
H10 H 0.2655 0.4021 0.7550 0.046 Uiso 1 calc R . .
B11 B 0.1823(3) 0.4486(3) 0.8129(3) 0.0387(12) Uani 1 d . . .
H11 H 0.1710 0.5155 0.7945 0.046 Uiso 1 calc R . .
C2 C 0.3067(2) 0.1716(3) 0.9652(2) 0.0355(10) Uani 1 d . . .
O2 O 0.35876(16) 0.1575(2) 1.01122(19) 0.0576(10) Uani 1 d . . .
C3 C 0.2483(2) 0.1110(3) 0.8325(3) 0.0413(11) Uani 1 d . . .
O3 O 0.2686(2) 0.0642(2) 0.8045(2) 0.0710(12) Uani 1 d . . .
C4 C 0.1800(2) 0.1014(2) 0.9248(2) 0.0261(8) Uani 1 d . . .
O4 O 0.17619(16) 0.03715(17) 0.94931(15) 0.0376(7) Uani 1 d . . .
C5 C 0.0282(2) 0.2474(3) 0.8615(2) 0.0307(9) Uani 1 d . . .
O5 O -0.02544(15) 0.2826(2) 0.84393(17) 0.0466(8) Uani 1 d . . .
C11 C 0.0500(2) 0.0803(3) 0.7203(2) 0.0340(10) Uani 1 d . . .
C12 C -0.0158(2) 0.1248(3) 0.7106(2) 0.0368(10) Uani 1 d . . .
C13 C -0.0379(2) 0.0968(3) 0.7623(2) 0.0353(10) Uani 1 d . . .
C14 C 0.0139(2) 0.0375(2) 0.8049(2) 0.0296(9) Uani 1 d . . .
C15 C 0.0656(2) 0.0242(2) 0.7765(2) 0.0294(9) Uani 1 d . . .
C16 C 0.0875(3) 0.0841(4) 0.6724(2) 0.0570(15) Uani 1 d . . .
H16A H 0.0684 0.0401 0.6372 0.085 Uiso 1 calc R . .
H16B H 0.1391 0.0751 0.6985 0.085 Uiso 1 calc R . .
H16C H 0.0797 0.1397 0.6501 0.085 Uiso 1 calc R . .
C17 C -0.0549(3) 0.1832(3) 0.6514(3) 0.0668(18) Uani 1 d . . .
H17A H -0.0896 0.1509 0.6130 0.100 Uiso 1 calc R . .
H17B H -0.0204 0.2104 0.6364 0.100 Uiso 1 calc R . .
H17C H -0.0801 0.2265 0.6661 0.100 Uiso 1 calc R . .
C18 C -0.1067(2) 0.1210(4) 0.7680(3) 0.0614(16) Uani 1 d . . .
H18A H -0.1444 0.0808 0.7419 0.092 Uiso 1 calc R . .
H18B H -0.1208 0.1779 0.7494 0.092 Uiso 1 calc R . .
H18C H -0.0997 0.1200 0.8165 0.092 Uiso 1 calc R . .
C19 C 0.0073(3) -0.0119(3) 0.8613(2) 0.0482(13) Uani 1 d . . .
H19A H -0.0197 -0.0638 0.8425 0.072 Uiso 1 calc R . .
H19B H -0.0180 0.0218 0.8832 0.072 Uiso 1 calc R . .
H19C H 0.0552 -0.0263 0.8954 0.072 Uiso 1 calc R . .
C20 C 0.1206(2) -0.0446(3) 0.7993(2) 0.0448(12) Uani 1 d . . .
H20A H 0.1004 -0.0962 0.7732 0.067 Uiso 1 calc R . .
H20B H 0.1350 -0.0554 0.8485 0.067 Uiso 1 calc R . .
H20C H 0.1627 -0.0272 0.7910 0.067 Uiso 1 calc R . .
C21 C 0.1122(2) 0.1560(3) 1.0381(2) 0.0360(10) Uani 1 d . . .
C22 C 0.0557(2) 0.2133(3) 1.0097(2) 0.0406(11) Uani 1 d . . .
C23 C 0.0842(3) 0.2981(3) 1.0139(2) 0.0418(11) Uani 1 d . . .
C24 C 0.1603(2) 0.2906(3) 1.0449(2) 0.0353(10) Uani 1 d . . .
C25 C 0.1772(2) 0.2035(3) 1.0578(2) 0.0320(9) Uani 1 d . . .
C26 C 0.1063(3) 0.0635(3) 1.0504(2) 0.0528(14) Uani 1 d . . .
H26A H 0.1055 0.0554 1.0959 0.079 Uiso 1 calc R . .
H26B H 0.1476 0.0337 1.0484 0.079 Uiso 1 calc R . .
H26C H 0.0620 0.0411 1.0149 0.079 Uiso 1 calc R . .
C27 C -0.0230(3) 0.1935(4) 0.9865(3) 0.0683(18) Uani 1 d . . .
H27A H -0.0353 0.1914 1.0267 0.102 Uiso 1 calc R . .
H27B H -0.0334 0.1387 0.9630 0.102 Uiso 1 calc R . .
H27C H -0.0515 0.2376 0.9548 0.102 Uiso 1 calc R . .
C28 C 0.0427(3) 0.3792(4) 0.9957(3) 0.0714(18) Uani 1 d . . .
H28A H 0.0339 0.3990 1.0354 0.107 Uiso 1 calc R . .
H28B H -0.0031 0.3697 0.9566 0.107 Uiso 1 calc R . .
H28C H 0.0704 0.4219 0.9833 0.107 Uiso 1 calc R . .
C29 C 0.2138(3) 0.3614(3) 1.0706(2) 0.0546(14) Uani 1 d . . .
H29A H 0.2216 0.3752 1.1181 0.082 Uiso 1 calc R . .
H29B H 0.1953 0.4113 1.0413 0.082 Uiso 1 calc R . .
H29C H 0.2593 0.3439 1.0690 0.082 Uiso 1 calc R . .
C30 C 0.2494(2) 0.1668(3) 1.0963(2) 0.0501(13) Uani 1 d . . .
H30A H 0.2595 0.1652 1.1455 0.075 Uiso 1 calc R . .
H30B H 0.2855 0.2016 1.0889 0.075 Uiso 1 calc R . .
H30C H 0.2508 0.1093 1.0797 0.075 Uiso 1 calc R . .
Mo2 Mo 0.711279(18) 0.18568(2) 0.889455(16) 0.02380(8) Uani 1 d . . .
Rh3 Rh 0.614350(15) 0.255736(17) 0.936693(14) 0.02038(7) Uani 1 d . . .
Rh4 Rh 0.561877(17) 0.177404(19) 0.807890(15) 0.02698(8) Uani 1 d . . .
C31 C 0.7939(2) 0.2718(3) 0.8640(2) 0.0400(11) Uani 1 d . . .
H31 H 0.8445 0.2342 0.8794 0.048 Uiso 1 calc R . .
B32 B 0.7695(2) 0.3140(3) 0.9255(3) 0.0309(10) Uani 1 d . . .
H32 H 0.8032 0.3073 0.9820 0.037 Uiso 1 calc R . .
B33 B 0.6723(2) 0.3185(3) 0.8861(2) 0.0245(9) Uani 1 d . . .
B34 B 0.6460(3) 0.2750(3) 0.8020(2) 0.0295(10) Uani 1 d . . .
H34 H 0.592(2) 0.256(2) 0.770(2) 0.035 Uiso 1 d . . .
B35 B 0.7240(3) 0.2425(3) 0.7904(3) 0.0372(12) Uani 1 d . . .
H35 H 0.7263 0.1885 0.7572 0.045 Uiso 1 calc R . .
B36 B 0.8016(3) 0.3800(4) 0.8774(3) 0.0447(14) Uani 1 d . . .
H36 H 0.8538 0.4145 0.9020 0.054 Uiso 1 calc R . .
B37 B 0.7239(3) 0.4107(3) 0.8913(3) 0.0354(12) Uani 1 d . . .
H37 H 0.7244 0.4651 0.9253 0.042 Uiso 1 calc R . .
B38 B 0.6479(3) 0.3865(3) 0.8146(2) 0.0330(11) Uani 1 d . . .
H38 H 0.5979 0.4255 0.7976 0.040 Uiso 1 calc R . .
B39 B 0.6798(3) 0.3398(4) 0.7536(3) 0.0426(13) Uani 1 d . . .
H39 H 0.6511 0.3478 0.6965 0.051 Uiso 1 calc R . .
B40 B 0.7739(3) 0.3373(4) 0.7945(3) 0.0487(15) Uani 1 d . . .
H40 H 0.8080 0.3442 0.7645 0.058 Uiso 1 calc R . .
B41 B 0.7268(3) 0.4243(4) 0.8089(3) 0.0469(14) Uani 1 d . . .
H41 H 0.7286 0.4888 0.7879 0.056 Uiso 1 calc R . .
C32 C 0.7942(2) 0.1560(2) 0.9782(2) 0.0301(9) Uani 1 d . . .
O32 O 0.84177(15) 0.14319(19) 1.02927(16) 0.0416(8) Uani 1 d . . .
C33 C 0.7315(3) 0.0805(3) 0.8464(2) 0.0461(12) Uani 1 d . . .
O33 O 0.7429(2) 0.0211(2) 0.82206(19) 0.0724(13) Uani 1 d . . .
C34 C 0.6573(2) 0.1120(2) 0.9317(2) 0.0292(9) Uani 1 d . . .
O34 O 0.63982(16) 0.05767(17) 0.95876(15) 0.0391(7) Uani 1 d . . .
C35 C 0.5354(2) 0.2855(2) 0.85005(19) 0.0263(8) Uani 1 d . . .
O35 O 0.48981(15) 0.33501(18) 0.82656(15) 0.0377(7) Uani 1 d . . .
C41 C 0.5354(3) 0.0790(3) 0.7279(2) 0.0477(13) Uani 1 d . . .
C42 C 0.4793(2) 0.1424(3) 0.7076(2) 0.0367(11) Uani 1 d . . .
C43 C 0.4469(2) 0.1413(3) 0.7559(2) 0.0375(11) Uani 1 d . . .
C44 C 0.4832(3) 0.0786(3) 0.8069(2) 0.0427(12) Uani 1 d . . .
C45 C 0.5351(3) 0.0377(3) 0.7875(2) 0.0482(14) Uani 1 d . . .
C46 C 0.5761(3) 0.0554(4) 0.6861(3) 0.074(2) Uani 1 d . . .
H46A H 0.5513 0.0093 0.6547 0.111 Uiso 1 calc R . .
H46B H 0.6244 0.0370 0.7166 0.111 Uiso 1 calc R . .
H46C H 0.5795 0.1044 0.6593 0.111 Uiso 1 calc R . .
C47 C 0.4550(3) 0.1950(3) 0.6427(2) 0.0491(13) Uani 1 d . . .
H47A H 0.4173 0.1649 0.6051 0.074 Uiso 1 calc R . .
H47B H 0.4958 0.2052 0.6303 0.074 Uiso 1 calc R . .
H47C H 0.4363 0.2492 0.6506 0.074 Uiso 1 calc R . .
C48 C 0.3830(2) 0.1918(3) 0.7524(3) 0.0458(12) Uani 1 d . . .
H48A H 0.3390 0.1603 0.7262 0.069 Uiso 1 calc R . .
H48B H 0.3821 0.2460 0.7296 0.069 Uiso 1 calc R . .
H48C H 0.3863 0.2021 0.7992 0.069 Uiso 1 calc R . .
C49 C 0.4624(3) 0.0521(3) 0.8639(2) 0.0579(15) Uani 1 d . . .
H49A H 0.4268 0.0068 0.8478 0.087 Uiso 1 calc R . .
H49B H 0.4420 0.1005 0.8786 0.087 Uiso 1 calc R . .
H49C H 0.5049 0.0318 0.9029 0.087 Uiso 1 calc R . .
C50 C 0.5748(3) -0.0419(3) 0.8180(3) 0.073(2) Uani 1 d . . .
H50A H 0.5450 -0.0908 0.7954 0.109 Uiso 1 calc R . .
H50B H 0.5859 -0.0434 0.8674 0.109 Uiso 1 calc R . .
H50C H 0.6195 -0.0438 0.8109 0.109 Uiso 1 calc R . .
C51 C 0.6548(2) 0.2308(3) 1.05378(19) 0.0287(9) Uani 1 d . . .
C52 C 0.5801(2) 0.2166(3) 1.0266(2) 0.0329(9) Uani 1 d . . .
C53 C 0.5455(2) 0.2924(3) 0.9932(2) 0.0362(10) Uani 1 d . . .
C54 C 0.5984(2) 0.3553(3) 1.0012(2) 0.0324(9) Uani 1 d . . .
C55 C 0.6667(2) 0.3163(2) 1.03870(19) 0.0267(8) Uani 1 d . . .
C56 C 0.7115(2) 0.1712(3) 1.0986(2) 0.0362(10) Uani 1 d . . .
H56A H 0.7158 0.1759 1.1462 0.054 Uiso 1 calc R . .
H56B H 0.7575 0.1856 1.0967 0.054 Uiso 1 calc R . .
H56C H 0.6983 0.1132 1.0823 0.054 Uiso 1 calc R . .
C57 C 0.5438(3) 0.1390(3) 1.0367(2) 0.0506(13) Uani 1 d . . .
H57A H 0.5378 0.1433 1.0802 0.076 Uiso 1 calc R . .
H57B H 0.5731 0.0893 1.0381 0.076 Uiso 1 calc R . .
H57C H 0.4967 0.1333 0.9985 0.076 Uiso 1 calc R . .
C58 C 0.4655(2) 0.3075(4) 0.9624(3) 0.0519(13) Uani 1 d . . .
H58A H 0.4498 0.3223 0.9991 0.078 Uiso 1 calc R . .
H58B H 0.4407 0.2560 0.9391 0.078 Uiso 1 calc R . .
H58C H 0.4539 0.3539 0.9291 0.078 Uiso 1 calc R . .
C59 C 0.5841(3) 0.4458(3) 0.9786(2) 0.0464(12) Uani 1 d . . .
H59A H 0.5786 0.4792 1.0150 0.070 Uiso 1 calc R . .
H59B H 0.5401 0.4493 0.9365 0.070 Uiso 1 calc R . .
H59C H 0.6244 0.4679 0.9695 0.070 Uiso 1 calc R . .
C60 C 0.7368(2) 0.3614(3) 1.0682(2) 0.0371(10) Uani 1 d . . .
H60A H 0.7457 0.3813 1.1147 0.056 Uiso 1 calc R . .
H60B H 0.7356 0.4098 1.0389 0.056 Uiso 1 calc R . .
H60C H 0.7753 0.3228 1.0703 0.056 Uiso 1 calc R . .
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'
Mo Mo -1.6832 0.6857 '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
C2 Mo1 C3 85.70(19) . . y
C2 Mo1 C4 80.63(16) . . y
C3 Mo1 C4 88.30(17) . . y
C2 Mo1 B3 115.97(17) . . y
C3 Mo1 B3 154.24(18) . . y
C4 Mo1 B3 108.02(15) . . y
C2 Mo1 B4 156.43(17) . . y
C3 Mo1 B4 108.68(18) . . y
C4 Mo1 B4 117.37(15) . . y
B3 Mo1 B4 46.30(16) . . ?
C2 Mo1 B2 79.31(17) . . y
C3 Mo1 B2 133.49(17) . . y
C4 Mo1 B2 131.17(15) . . y
B3 Mo1 B2 46.66(16) . . ?
B4 Mo1 B2 77.27(16) . . ?
C2 Mo1 C1 88.38(16) . . y
C3 Mo1 C1 93.50(16) . . y
C4 Mo1 C1 168.71(15) . . y
B3 Mo1 C1 74.45(16) . . ?
B4 Mo1 C1 72.56(15) . . ?
B2 Mo1 C1 42.81(15) . . ?
C2 Mo1 B5 125.55(17) . . y
C3 Mo1 B5 78.76(18) . . y
C4 Mo1 B5 149.05(15) . . y
B3 Mo1 B5 77.17(17) . . ?
B4 Mo1 B5 44.45(17) . . ?
B2 Mo1 B5 75.13(16) . . ?
C1 Mo1 B5 41.91(14) . . ?
C2 Mo1 Rh2 103.18(13) . . y
C3 Mo1 Rh2 143.87(12) . . y
C4 Mo1 Rh2 59.57(11) . . y
B3 Mo1 Rh2 48.54(11) . . y
B4 Mo1 Rh2 76.49(12) . . y
B2 Mo1 Rh2 82.61(11) . . y
C1 Mo1 Rh2 121.33(11) . . y
B5 Mo1 Rh2 119.77(12) . . y
C2 Mo1 Rh1 147.45(12) . . y
C3 Mo1 Rh1 94.10(13) . . y
C4 Mo1 Rh1 66.84(11) . . y
B3 Mo1 Rh1 75.24(11) . . y
B4 Mo1 Rh1 52.57(11) . . y
B2 Mo1 Rh1 121.28(12) . . y
C1 Mo1 Rh1 124.05(11) . . y
B5 Mo1 Rh1 86.00(11) . . y
Rh2 Mo1 Rh1 59.811(15) . . y
C5 Rh1 C12 110.98(16) . . ?
C5 Rh1 C11 149.89(16) . . ?
C12 Rh1 C11 38.92(16) . . ?
C5 Rh1 C13 91.49(15) . . ?
C12 Rh1 C13 37.48(16) . . ?
C11 Rh1 C13 63.31(16) . . ?
C5 Rh1 C14 107.78(15) . . ?
C12 Rh1 C14 63.02(16) . . ?
C11 Rh1 C14 62.74(15) . . ?
C13 Rh1 C14 37.48(15) . . ?
C5 Rh1 C15 144.44(16) . . ?
C12 Rh1 C15 62.80(16) . . ?
C11 Rh1 C15 37.02(15) . . ?
C13 Rh1 C15 61.94(15) . . ?
C14 Rh1 C15 36.86(14) . . ?
C5 Rh1 B4 79.74(16) . . y
C12 Rh1 B4 113.78(16) . . ?
C11 Rh1 B4 110.23(16) . . ?
C13 Rh1 B4 143.67(16) . . ?
C14 Rh1 B4 172.41(16) . . ?
C15 Rh1 B4 135.71(16) . . ?
C5 Rh1 Rh2 44.51(11) . . y
C12 Rh1 Rh2 153.69(13) . . ?
C11 Rh1 Rh2 163.70(12) . . ?
C13 Rh1 Rh2 121.23(12) . . ?
C14 Rh1 Rh2 110.28(10) . . ?
C15 Rh1 Rh2 128.58(11) . . ?
B4 Rh1 Rh2 75.69(11) . . y
C5 Rh1 Mo1 96.81(11) . . y
C12 Rh1 Mo1 146.29(13) . . ?
C11 Rh1 Mo1 111.73(12) . . ?
C13 Rh1 Mo1 164.25(12) . . ?
C14 Rh1 Mo1 126.81(11) . . ?
C15 Rh1 Mo1 104.64(10) . . ?
B4 Rh1 Mo1 51.59(11) . . y
Rh2 Rh1 Mo1 59.232(11) . . y
C5 Rh2 B3 81.70(17) . . y
C5 Rh2 C23 94.94(17) . . ?
B3 Rh2 C23 107.68(18) . . ?
C5 Rh2 C24 130.12(17) . . ?
B3 Rh2 C24 97.08(16) . . ?
C23 Rh2 C24 37.66(16) . . ?
C5 Rh2 C22 90.59(17) . . ?
B3 Rh2 C22 144.28(17) . . ?
C23 Rh2 C22 38.00(17) . . ?
C24 Rh2 C22 61.97(16) . . ?
C5 Rh2 C25 150.66(17) . . ?
B3 Rh2 C25 120.76(15) . . ?
C23 Rh2 C25 61.80(17) . . ?
C24 Rh2 C25 36.81(15) . . ?
C22 Rh2 C25 60.10(16) . . ?
C5 Rh2 C21 118.70(17) . . ?
B3 Rh2 C21 156.24(15) . . ?
C23 Rh2 C21 61.32(17) . . ?
C24 Rh2 C21 60.95(15) . . ?
C22 Rh2 C21 35.14(16) . . ?
C25 Rh2 C21 35.90(14) . . ?
C5 Rh2 C4 110.29(15) . . y
B3 Rh2 C4 97.53(14) . . y
C23 Rh2 C4 146.67(15) . . ?
C24 Rh2 C4 119.21(15) . . ?
C22 Rh2 C4 117.74(16) . . ?
C25 Rh2 C4 86.76(14) . . ?
C21 Rh2 C4 86.97(14) . . ?
C5 Rh2 Mo1 102.12(13) . . y
B3 Rh2 Mo1 52.65(11) . . y
C23 Rh2 Mo1 150.68(13) . . ?
C24 Rh2 Mo1 116.53(11) . . ?
C22 Rh2 Mo1 161.31(13) . . ?
C25 Rh2 Mo1 106.65(11) . . ?
C21 Rh2 Mo1 126.45(12) . . ?
C4 Rh2 Mo1 44.95(9) . . y
C5 Rh2 Rh1 48.92(12) . . y
B3 Rh2 Rh1 77.84(11) . . y
C23 Rh2 Rh1 143.11(13) . . ?
C24 Rh2 Rh1 174.86(11) . . ?
C22 Rh2 Rh1 121.99(11) . . ?
C25 Rh2 Rh1 147.11(11) . . ?
C21 Rh2 Rh1 124.18(10) . . ?
C4 Rh2 Rh1 62.71(9) . . y
Mo1 Rh2 Rh1 60.957(14) . . y
B5 C1 B10 62.3(3) . . ?
B5 C1 B2 114.1(3) . . ?
B10 C1 B2 112.6(4) . . ?
B5 C1 B6 112.8(3) . . ?
B10 C1 B6 61.3(3) . . ?
B2 C1 B6 61.7(3) . . ?
B5 C1 Mo1 69.1(2) . . ?
B10 C1 Mo1 125.6(3) . . ?
B2 C1 Mo1 67.07(19) . . ?
B6 C1 Mo1 123.8(3) . . ?
C1 B2 B6 59.7(3) . . ?
C1 B2 B7 106.3(3) . . ?
B6 B2 B7 60.1(3) . . ?
C1 B2 B3 104.9(3) . . ?
B6 B2 B3 106.6(3) . . ?
B7 B2 B3 58.9(2) . . ?
C1 B2 Mo1 70.1(2) . . ?
B6 B2 Mo1 124.8(3) . . ?
B7 B2 Mo1 120.0(3) . . ?
B3 B2 Mo1 64.49(18) . . ?
B8 B3 B7 60.5(3) . . ?
B8 B3 B4 60.6(2) . . ?
B7 B3 B4 107.9(3) . . ?
B8 B3 B2 107.9(3) . . ?
B7 B3 B2 59.5(2) . . ?
B4 B3 B2 106.3(3) . . ?
B8 B3 Rh2 133.4(3) . . ?
B7 B3 Rh2 143.1(3) . . ?
B4 B3 Rh2 107.6(2) . . y
B2 B3 Rh2 118.5(2) . . y
B8 B3 Mo1 124.9(3) . . ?
B7 B3 Mo1 124.6(3) . . ?
B4 B3 Mo1 67.8(2) . . ?
B2 B3 Mo1 68.9(2) . . ?
Rh2 B3 Mo1 78.82(14) . . y
B9 B4 B5 60.7(3) . . ?
B9 B4 B8 62.5(3) . . ?
B5 B4 B8 110.2(3) . . ?
B9 B4 B3 109.5(3) . . ?
B5 B4 B3 109.0(3) . . ?
B8 B4 B3 58.7(2) . . ?
B9 B4 Mo1 126.4(3) . . ?
B5 B4 Mo1 70.5(2) . . ?
B8 B4 Mo1 121.4(3) . . ?
B3 B4 Mo1 65.87(19) . . ?
B9 B4 Rh1 149.2(3) . . ?
B5 B4 Rh1 121.1(3) . . y
B8 B4 Rh1 128.5(3) . . ?
B3 B4 Rh1 98.9(2) . . y
Mo1 B4 Rh1 75.84(13) . . y
C1 B5 B4 105.5(3) . . ?
C1 B5 B10 59.3(3) . . ?
B4 B5 B10 106.4(4) . . ?
C1 B5 B9 105.9(3) . . ?
B4 B5 B9 59.2(3) . . ?
B10 B5 B9 59.4(3) . . ?
C1 B5 Mo1 69.0(2) . . ?
B4 B5 Mo1 65.0(2) . . ?
B10 B5 Mo1 123.0(3) . . ?
B9 B5 Mo1 119.9(3) . . ?
C1 B6 B10 58.8(3) . . ?
C1 B6 B11 105.8(3) . . ?
B10 B6 B11 60.9(3) . . ?
C1 B6 B2 58.6(2) . . ?
B10 B6 B2 108.0(3) . . ?
B11 B6 B2 108.2(3) . . ?
C1 B6 B7 105.5(3) . . ?
B10 B6 B7 109.1(3) . . ?
B11 B6 B7 60.2(3) . . ?
B2 B6 B7 60.2(3) . . ?
B3 B7 B8 59.2(2) . . ?
B3 B7 B6 108.5(3) . . ?
B8 B7 B6 107.4(4) . . ?
B3 B7 B11 106.7(3) . . ?
B8 B7 B11 59.2(3) . . ?
B6 B7 B11 59.7(3) . . ?
B3 B7 B2 61.6(2) . . ?
B8 B7 B2 108.5(3) . . ?
B6 B7 B2 59.8(3) . . ?
B11 B7 B2 107.5(4) . . ?
B3 B8 B11 108.6(3) . . ?
B3 B8 B7 60.2(2) . . ?
B11 B8 B7 60.6(3) . . ?
B3 B8 B4 60.7(2) . . ?
B11 B8 B4 106.2(4) . . ?
B7 B8 B4 107.7(3) . . ?
B3 B8 B9 107.4(3) . . ?
B11 B8 B9 59.7(3) . . ?
B7 B8 B9 107.8(4) . . ?
B4 B8 B9 57.9(3) . . ?
B4 B9 B10 107.5(3) . . ?
B4 B9 B5 60.1(3) . . ?
B10 B9 B5 60.0(3) . . ?
B4 B9 B11 106.2(3) . . ?
B10 B9 B11 60.7(3) . . ?
B5 B9 B11 108.0(3) . . ?
B4 B9 B8 59.6(3) . . ?
B10 B9 B8 106.8(3) . . ?
B5 B9 B8 107.5(3) . . ?
B11 B9 B8 57.9(3) . . ?
C1 B10 B9 106.1(3) . . ?
C1 B10 B6 59.9(3) . . ?
B9 B10 B6 109.0(4) . . ?
C1 B10 B5 58.4(2) . . ?
B9 B10 B5 60.6(3) . . ?
B6 B10 B5 108.5(3) . . ?
C1 B10 B11 105.7(3) . . ?
B9 B10 B11 60.4(3) . . ?
B6 B10 B11 59.7(3) . . ?
B5 B10 B11 108.3(4) . . ?
B8 B11 B6 108.6(3) . . ?
B8 B11 B7 60.3(3) . . ?
B6 B11 B7 60.1(3) . . ?
B8 B11 B9 62.3(3) . . ?
B6 B11 B9 107.4(4) . . ?
B7 B11 B9 109.6(3) . . ?
B8 B11 B10 108.9(3) . . ?
B6 B11 B10 59.3(3) . . ?
B7 B11 B10 107.7(3) . . ?
B9 B11 B10 58.9(3) . . ?
O2 C2 Mo1 179.2(4) . . y
O3 C3 Mo1 177.8(4) . . y
O4 C4 Mo1 162.4(3) . . y
O4 C4 Rh2 120.6(3) . . y
Mo1 C4 Rh2 75.48(12) . . y
O5 C5 Rh2 142.1(4) . . y
O5 C5 Rh1 131.2(3) . . y
Rh2 C5 Rh1 86.56(16) . . y
C15 C11 C12 107.8(4) . . ?
C15 C11 C16 126.4(4) . . ?
C12 C11 C16 125.2(4) . . ?
C15 C11 Rh1 74.7(2) . . ?
C12 C11 Rh1 70.3(2) . . ?
C16 C11 Rh1 127.6(3) . . ?
C13 C12 C11 107.5(4) . . ?
C13 C12 C17 127.9(5) . . ?
C11 C12 C17 124.4(4) . . ?
C13 C12 Rh1 72.9(2) . . ?
C11 C12 Rh1 70.8(2) . . ?
C17 C12 Rh1 126.0(3) . . ?
C12 C13 C14 108.1(4) . . ?
C12 C13 C18 125.4(4) . . ?
C14 C13 C18 126.4(4) . . ?
C12 C13 Rh1 69.6(2) . . ?
C14 C13 Rh1 71.3(2) . . ?
C18 C13 Rh1 127.8(3) . . ?
C15 C14 C13 108.4(4) . . ?
C15 C14 C19 125.9(4) . . ?
C13 C14 C19 124.9(4) . . ?
C15 C14 Rh1 73.3(2) . . ?
C13 C14 Rh1 71.2(2) . . ?
C19 C14 Rh1 129.3(3) . . ?
C11 C15 C14 108.0(4) . . ?
C11 C15 C20 127.8(4) . . ?
C14 C15 C20 123.9(4) . . ?
C11 C15 Rh1 68.3(2) . . ?
C14 C15 Rh1 69.8(2) . . ?
C20 C15 Rh1 132.5(3) . . ?
C22 C21 C25 106.8(4) . . ?
C22 C21 C26 126.8(4) . . ?
C25 C21 C26 126.2(4) . . ?
C22 C21 Rh2 68.4(2) . . ?
C25 C21 Rh2 68.9(2) . . ?
C26 C21 Rh2 130.7(3) . . ?
C21 C22 C23 109.5(4) . . ?
C21 C22 C27 126.0(5) . . ?
C23 C22 C27 124.0(5) . . ?
C21 C22 Rh2 76.4(3) . . ?
C23 C22 Rh2 68.5(2) . . ?
C27 C22 Rh2 127.3(3) . . ?
C24 C23 C22 106.6(4) . . ?
C24 C23 C28 125.9(5) . . ?
C22 C23 C28 127.2(5) . . ?
C24 C23 Rh2 72.2(2) . . ?
C22 C23 Rh2 73.5(2) . . ?
C28 C23 Rh2 123.9(3) . . ?
C25 C24 C23 107.7(4) . . ?
C25 C24 C29 124.7(4) . . ?
C23 C24 C29 126.9(4) . . ?
C25 C24 Rh2 73.8(2) . . ?
C23 C24 Rh2 70.2(2) . . ?
C29 C24 Rh2 129.1(3) . . ?
C24 C25 C21 109.2(4) . . ?
C24 C25 C30 126.6(4) . . ?
C21 C25 C30 123.4(4) . . ?
C24 C25 Rh2 69.3(2) . . ?
C21 C25 Rh2 75.2(2) . . ?
C30 C25 Rh2 129.6(3) . . ?
C32 Mo2 C33 89.01(17) . . ?
C32 Mo2 C34 81.61(15) . . ?
C33 Mo2 C34 88.36(19) . . ?
C32 Mo2 B33 113.74(16) . . ?
C33 Mo2 B33 153.41(17) . . ?
C34 Mo2 B33 107.69(16) . . ?
C32 Mo2 B34 153.88(17) . . ?
C33 Mo2 B34 107.53(18) . . ?
C34 Mo2 B34 118.01(17) . . ?
B33 Mo2 B34 46.35(17) . . ?
C32 Mo2 B32 76.77(16) . . ?
C33 Mo2 B32 134.48(19) . . ?
C34 Mo2 B32 130.48(17) . . ?
B33 Mo2 B32 46.85(16) . . ?
B34 Mo2 B32 77.25(17) . . ?
C32 Mo2 C31 86.67(15) . . ?
C33 Mo2 C31 94.49(19) . . ?
C34 Mo2 C31 167.89(15) . . ?
B33 Mo2 C31 74.32(16) . . ?
B34 Mo2 C31 72.32(16) . . ?
B32 Mo2 C31 42.47(16) . . ?
C32 Mo2 B35 124.13(17) . . ?
C33 Mo2 B35 78.43(19) . . ?
C34 Mo2 B35 150.25(17) . . ?
B33 Mo2 B35 77.35(17) . . ?
B34 Mo2 B35 44.62(17) . . ?
B32 Mo2 B35 74.86(19) . . ?
C31 Mo2 B35 41.63(17) . . ?
C32 Mo2 Rh3 101.95(12) . . ?
C33 Mo2 Rh3 142.72(15) . . ?
C34 Mo2 Rh3 58.88(11) . . ?
B33 Mo2 Rh3 48.88(11) . . ?
B34 Mo2 Rh3 77.28(12) . . ?
B32 Mo2 Rh3 82.80(12) . . ?
C31 Mo2 Rh3 121.36(11) . . ?
B35 Mo2 Rh3 120.66(12) . . ?
C32 Mo2 Rh4 148.25(11) . . ?
C33 Mo2 Rh4 92.88(14) . . ?
C34 Mo2 Rh4 66.79(11) . . ?
B33 Mo2 Rh4 75.16(11) . . ?
B34 Mo2 Rh4 53.28(13) . . ?
B32 Mo2 Rh4 121.47(11) . . ?
C31 Mo2 Rh4 124.68(11) . . ?
B35 Mo2 Rh4 87.17(12) . . ?
Rh3 Mo2 Rh4 59.623(15) . . ?
C35 Rh3 B33 80.04(16) . . ?
C35 Rh3 C54 98.10(16) . . ?
B33 Rh3 C54 103.29(17) . . ?
C35 Rh3 C55 135.05(15) . . ?
B33 Rh3 C55 98.27(16) . . ?
C54 Rh3 C55 38.03(14) . . ?
C35 Rh3 C53 89.13(16) . . ?
B33 Rh3 C53 137.33(17) . . ?
C54 Rh3 C53 37.34(16) . . ?
C55 Rh3 C53 61.75(15) . . ?
C35 Rh3 C51 148.71(16) . . ?
B33 Rh3 C51 126.09(15) . . ?
C54 Rh3 C51 62.09(15) . . ?
C55 Rh3 C51 36.86(14) . . ?
C53 Rh3 C51 60.22(14) . . ?
C35 Rh3 C52 115.12(16) . . ?
B33 Rh3 C52 158.65(16) . . ?
C54 Rh3 C52 61.28(16) . . ?
C55 Rh3 C52 60.41(14) . . ?
C53 Rh3 C52 35.93(15) . . ?
C51 Rh3 C52 35.13(14) . . ?
C35 Rh3 C34 110.88(14) . . ?
B33 Rh3 C34 97.52(15) . . ?
C54 Rh3 C34 146.80(14) . . ?
C55 Rh3 C34 113.84(13) . . ?
C53 Rh3 C34 124.73(16) . . ?
C51 Rh3 C34 84.76(14) . . ?
C52 Rh3 C34 91.01(15) . . ?
C35 Rh3 Mo2 101.12(12) . . ?
B33 Rh3 Mo2 52.21(11) . . ?
C54 Rh3 Mo2 144.68(11) . . ?
C55 Rh3 Mo2 113.15(10) . . ?
C53 Rh3 Mo2 167.85(11) . . ?
C51 Rh3 Mo2 108.71(10) . . ?
C52 Rh3 Mo2 132.05(11) . . ?
C34 Rh3 Mo2 45.38(10) . . ?
C35 Rh3 Rh4 48.67(11) . . ?
B33 Rh3 Rh4 77.64(12) . . ?
C54 Rh3 Rh4 146.53(11) . . ?
C55 Rh3 Rh4 174.27(10) . . ?
C53 Rh3 Rh4 123.96(11) . . ?
C51 Rh3 Rh4 143.63(10) . . ?
C52 Rh3 Rh4 123.53(10) . . ?
C34 Rh3 Rh4 63.21(9) . . ?
Mo2 Rh3 Rh4 61.186(14) . . ?
C35 Rh4 C42 113.07(15) . . ?
C35 Rh4 C41 151.50(16) . . ?
C42 Rh4 C41 38.59(16) . . ?
C35 Rh4 C43 91.20(16) . . ?
C42 Rh4 C43 37.64(17) . . ?
C41 Rh4 C43 63.55(18) . . ?
C35 Rh4 C44 105.59(17) . . ?
C42 Rh4 C44 62.90(17) . . ?
C41 Rh4 C44 62.95(19) . . ?
C43 Rh4 C44 37.54(15) . . ?
C35 Rh4 C45 142.14(19) . . ?
C42 Rh4 C45 62.45(15) . . ?
C41 Rh4 C45 37.05(18) . . ?
C43 Rh4 C45 62.13(16) . . ?
C44 Rh4 C45 37.04(18) . . ?
C35 Rh4 B34 78.72(16) . . ?
C42 Rh4 B34 114.06(17) . . ?
C41 Rh4 B34 112.44(19) . . ?
C43 Rh4 B34 142.00(15) . . ?
C44 Rh4 B34 175.36(18) . . ?
C45 Rh4 B34 138.87(19) . . ?
C35 Rh4 Rh3 44.27(10) . . ?
C42 Rh4 Rh3 154.98(12) . . ?
C41 Rh4 Rh3 161.04(13) . . ?
C43 Rh4 Rh3 120.77(12) . . ?
C44 Rh4 Rh3 108.16(12) . . ?
C45 Rh4 Rh3 125.82(12) . . ?
B34 Rh4 Rh3 76.07(12) . . ?
C35 Rh4 Mo2 95.68(10) . . ?
C42 Rh4 Mo2 145.32(13) . . ?
C41 Rh4 Mo2 111.85(13) . . ?
C43 Rh4 Mo2 166.42(11) . . ?
C44 Rh4 Mo2 128.94(12) . . ?
C45 Rh4 Mo2 106.09(12) . . ?
B34 Rh4 Mo2 51.28(11) . . ?
Rh3 Rh4 Mo2 59.191(11) . . ?
B35 C31 B32 114.5(3) . . ?
B35 C31 B40 63.5(3) . . ?
B32 C31 B40 112.3(4) . . ?
B35 C31 B36 114.1(4) . . ?
B32 C31 B36 61.5(3) . . ?
B40 C31 B36 61.1(3) . . ?
B35 C31 Mo2 69.3(2) . . ?
B32 C31 Mo2 66.6(2) . . ?
B40 C31 Mo2 126.5(3) . . ?
B36 C31 Mo2 123.5(3) . . ?
C31 B32 B36 59.9(3) . . ?
C31 B32 B37 106.8(3) . . ?
B36 B32 B37 60.6(3) . . ?
C31 B32 B33 105.2(3) . . ?
B36 B32 B33 107.5(3) . . ?
B37 B32 B33 59.1(2) . . ?
C31 B32 Mo2 70.9(2) . . ?
B36 B32 Mo2 126.0(3) . . ?
B37 B32 Mo2 120.2(3) . . ?
B33 B32 Mo2 64.2(2) . . ?
B38 B33 B37 60.4(3) . . ?
B38 B33 B34 60.5(3) . . ?
B37 B33 B34 108.2(3) . . ?
B38 B33 B32 107.4(3) . . ?
B37 B33 B32 59.7(2) . . ?
B34 B33 B32 106.2(3) . . ?
B38 B33 Rh3 134.1(3) . . ?
B37 B33 Rh3 141.6(3) . . ?
B34 B33 Rh3 108.6(3) . . ?
B32 B33 Rh3 118.2(3) . . ?
B38 B33 Mo2 125.2(3) . . ?
B37 B33 Mo2 125.2(3) . . ?
B34 B33 Mo2 68.2(2) . . ?
B32 B33 Mo2 69.0(2) . . ?
Rh3 B33 Mo2 78.91(14) . . ?
B39 B34 B35 60.8(3) . . ?
B39 B34 B33 109.0(4) . . ?
B35 B34 B33 108.9(3) . . ?
B39 B34 B38 61.6(3) . . ?
B35 B34 B38 109.9(4) . . ?
B33 B34 B38 59.2(3) . . ?
B39 B34 Mo2 126.4(3) . . ?
B35 B34 Mo2 70.9(2) . . ?
B33 B34 Mo2 65.42(19) . . ?
B38 B34 Mo2 121.3(3) . . ?
B39 B34 Rh4 150.8(3) . . ?
B35 B34 Rh4 121.9(3) . . ?
B33 B34 Rh4 97.6(3) . . ?
B38 B34 Rh4 128.0(3) . . ?
Mo2 B34 Rh4 75.44(14) . . ?
C31 B35 B34 105.0(4) . . ?
C31 B35 B40 58.6(3) . . ?
B34 B35 B40 105.8(4) . . ?
C31 B35 B39 104.7(4) . . ?
B34 B35 B39 59.5(3) . . ?
B40 B35 B39 58.6(3) . . ?
C31 B35 Mo2 69.1(2) . . ?
B34 B35 Mo2 64.5(2) . . ?
B40 B35 Mo2 122.1(3) . . ?
B39 B35 Mo2 119.4(3) . . ?
C31 B36 B40 58.9(3) . . ?
C31 B36 B32 58.5(3) . . ?
B40 B36 B32 108.0(4) . . ?
C31 B36 B41 105.4(4) . . ?
B40 B36 B41 60.4(3) . . ?
B32 B36 B41 108.2(4) . . ?
C31 B36 B37 105.6(4) . . ?
B40 B36 B37 108.8(4) . . ?
B32 B36 B37 60.4(3) . . ?
B41 B36 B37 60.2(3) . . ?
B33 B37 B38 59.3(3) . . ?
B33 B37 B41 106.8(4) . . ?
B38 B37 B41 59.3(3) . . ?
B33 B37 B32 61.2(2) . . ?
B38 B37 B32 107.7(3) . . ?
B41 B37 B32 106.5(4) . . ?
B33 B37 B36 107.8(4) . . ?
B38 B37 B36 107.0(4) . . ?
B41 B37 B36 59.4(3) . . ?
B32 B37 B36 59.0(3) . . ?
B33 B38 B41 108.5(3) . . ?
B33 B38 B37 60.3(3) . . ?
B41 B38 B37 60.5(3) . . ?
B33 B38 B34 60.3(2) . . ?
B41 B38 B34 106.9(4) . . ?
B37 B38 B34 108.0(3) . . ?
B33 B38 B39 107.8(3) . . ?
B41 B38 B39 59.6(3) . . ?
B37 B38 B39 108.0(4) . . ?
B34 B38 B39 59.0(3) . . ?
B40 B39 B34 107.6(3) . . ?
B40 B39 B41 60.1(3) . . ?
B34 B39 B41 106.5(4) . . ?
B40 B39 B35 60.7(3) . . ?
B34 B39 B35 59.7(3) . . ?
B41 B39 B35 108.3(4) . . ?
B40 B39 B38 106.8(4) . . ?
B34 B39 B38 59.5(3) . . ?
B41 B39 B38 58.6(3) . . ?
B35 B39 B38 107.4(3) . . ?
C31 B40 B36 60.0(3) . . ?
C31 B40 B39 105.8(4) . . ?
B36 B40 B39 109.5(4) . . ?
C31 B40 B41 106.2(4) . . ?
B36 B40 B41 60.4(3) . . ?
B39 B40 B41 60.7(3) . . ?
C31 B40 B35 57.9(3) . . ?
B36 B40 B35 108.5(4) . . ?
B39 B40 B35 60.7(3) . . ?
B41 B40 B35 108.8(4) . . ?
B38 B41 B36 108.4(4) . . ?
B38 B41 B40 108.6(4) . . ?
B36 B41 B40 59.2(3) . . ?
B38 B41 B39 61.8(3) . . ?
B36 B41 B39 107.4(4) . . ?
B40 B41 B39 59.2(3) . . ?
B38 B41 B37 60.1(3) . . ?
B36 B41 B37 60.4(3) . . ?
B40 B41 B37 108.0(4) . . ?
B39 B41 B37 109.4(4) . . ?
O32 C32 Mo2 176.7(3) . . ?
O33 C33 Mo2 179.9(6) . . ?
O34 C34 Mo2 164.2(4) . . ?
O34 C34 Rh3 118.6(3) . . ?
Mo2 C34 Rh3 75.74(12) . . ?
O35 C35 Rh3 141.2(3) . . ?
O35 C35 Rh4 131.7(3) . . ?
Rh3 C35 Rh4 87.06(15) . . ?
C45 C41 C42 107.2(4) . . ?
C45 C41 C46 128.2(5) . . ?
C42 C41 C46 124.0(5) . . ?
C45 C41 Rh4 74.2(2) . . ?
C42 C41 Rh4 70.1(2) . . ?
C46 C41 Rh4 127.9(4) . . ?
C43 C42 C41 108.4(4) . . ?
C43 C42 C47 125.8(4) . . ?
C41 C42 C47 125.5(4) . . ?
C43 C42 Rh4 72.6(2) . . ?
C41 C42 Rh4 71.3(2) . . ?
C47 C42 Rh4 126.0(3) . . ?
C42 C43 C44 107.6(4) . . ?
C42 C43 C48 126.9(4) . . ?
C44 C43 C48 125.4(4) . . ?
C42 C43 Rh4 69.7(2) . . ?
C44 C43 Rh4 71.5(2) . . ?
C48 C43 Rh4 127.3(3) . . ?
C45 C44 C43 108.3(4) . . ?
C45 C44 C49 125.9(4) . . ?
C43 C44 C49 125.2(5) . . ?
C45 C44 Rh4 73.1(3) . . ?
C43 C44 Rh4 70.9(2) . . ?
C49 C44 Rh4 128.6(3) . . ?
C41 C45 C44 108.3(4) . . ?
C41 C45 C50 125.0(5) . . ?
C44 C45 C50 126.2(5) . . ?
C41 C45 Rh4 68.7(2) . . ?
C44 C45 Rh4 69.8(2) . . ?
C50 C45 Rh4 133.6(3) . . ?
C52 C51 C55 108.1(4) . . ?
C52 C51 C56 126.0(4) . . ?
C55 C51 C56 125.4(4) . . ?
C52 C51 Rh3 74.3(2) . . ?
C55 C51 Rh3 67.6(2) . . ?
C56 C51 Rh3 129.7(3) . . ?
C51 C52 C53 107.8(4) . . ?
C51 C52 C57 126.0(4) . . ?
C53 C52 C57 126.1(4) . . ?
C51 C52 Rh3 70.6(2) . . ?
C53 C52 Rh3 68.0(2) . . ?
C57 C52 Rh3 131.0(3) . . ?
C54 C53 C52 109.2(4) . . ?
C54 C53 C58 125.0(4) . . ?
C52 C53 C58 125.4(4) . . ?
C54 C53 Rh3 69.0(2) . . ?
C52 C53 Rh3 76.0(2) . . ?
C58 C53 Rh3 127.2(3) . . ?
C53 C54 C55 106.5(4) . . ?
C53 C54 C59 126.0(4) . . ?
C55 C54 C59 127.4(4) . . ?
C53 C54 Rh3 73.7(2) . . ?
C55 C54 Rh3 71.5(2) . . ?
C59 C54 Rh3 123.0(3) . . ?
C51 C55 C54 108.4(4) . . ?
C51 C55 C60 125.3(4) . . ?
C54 C55 C60 125.3(4) . . ?
C51 C55 Rh3 75.5(2) . . ?
C54 C55 Rh3 70.4(2) . . ?
C60 C55 Rh3 128.5(3) . . ?
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
Mo1 C2 2.016(4) . y
Mo1 C3 2.027(5) . y
Mo1 C4 2.029(4) . y
Mo1 B3 2.253(4) . y
Mo1 B4 2.286(4) . y
Mo1 B2 2.329(4) . y
Mo1 C1 2.378(4) . y
Mo1 B5 2.379(4) . y
Mo1 Rh2 2.7809(5) . y
Mo1 Rh1 2.8294(6) . y
Rh1 C5 2.113(4) . y
Rh1 C12 2.179(4) . y
Rh1 C11 2.186(4) . y
Rh1 C13 2.223(4) . y
Rh1 C14 2.225(4) . y
Rh1 C15 2.270(4) . y
Rh1 B4 2.317(4) . y
Rh1 Rh2 2.7975(6) . y
Rh2 C5 1.965(4) . y
Rh2 B3 2.124(4) . y
Rh2 C23 2.193(4) . y
Rh2 C24 2.220(4) . y
Rh2 C22 2.259(4) . y
Rh2 C25 2.279(4) . y
Rh2 C21 2.361(4) . y
Rh2 C4 2.477(4) . y
C1 B5 1.701(6) . ?
C1 B10 1.718(6) . ?
C1 B2 1.718(6) . ?
C1 B6 1.738(6) . ?
B2 B6 1.771(6) . ?
B2 B7 1.779(7) . ?
B2 B3 1.816(6) . ?
B3 B8 1.750(6) . ?
B3 B7 1.768(6) . ?
B3 B4 1.785(6) . ?
B4 B9 1.750(6) . ?
B4 B5 1.767(7) . ?
B4 B8 1.783(6) . ?
B5 B10 1.768(7) . ?
B5 B9 1.778(7) . ?
B6 B10 1.762(7) . ?
B6 B11 1.769(7) . ?
B6 B7 1.777(7) . ?
B7 B8 1.773(6) . ?
B7 B11 1.778(7) . ?
B8 B11 1.753(7) . ?
B8 B9 1.832(7) . ?
B9 B10 1.758(7) . ?
B9 B11 1.786(7) . ?
B10 B11 1.790(8) . ?
C2 O2 1.138(5) . ?
C3 O3 1.128(5) . ?
C4 O4 1.158(4) . ?
C5 O5 1.146(5) . ?
C11 C15 1.417(6) . ?
C11 C12 1.454(6) . ?
C11 C16 1.499(6) . ?
C12 C13 1.415(6) . ?
C12 C17 1.503(6) . ?
C13 C14 1.429(6) . ?
C13 C18 1.503(6) . ?
C14 C15 1.422(6) . ?
C14 C19 1.479(6) . ?
C15 C20 1.496(6) . ?
C21 C22 1.398(6) . ?
C21 C25 1.432(6) . ?
C21 C26 1.499(6) . ?
C22 C23 1.451(7) . ?
C22 C27 1.509(6) . ?
C23 C24 1.425(6) . ?
C23 C28 1.500(7) . ?
C24 C25 1.421(6) . ?
C24 C29 1.504(6) . ?
C25 C30 1.483(6) . ?
Mo2 C32 2.014(4) . ?
Mo2 C33 2.020(5) . ?
Mo2 C34 2.040(4) . ?
Mo2 B33 2.237(4) . ?
Mo2 B34 2.285(4) . ?
Mo2 B32 2.321(5) . ?
Mo2 C31 2.390(4) . ?
Mo2 B35 2.392(5) . ?
Mo2 Rh3 2.7786(5) . ?
Mo2 Rh4 2.8346(6) . ?
Rh3 C35 1.951(4) . ?
Rh3 B33 2.133(4) . ?
Rh3 C54 2.194(4) . ?
Rh3 C55 2.209(4) . ?
Rh3 C53 2.256(4) . ?
Rh3 C51 2.313(4) . ?
Rh3 C52 2.361(4) . ?
Rh3 C34 2.454(4) . ?
Rh3 Rh4 2.7910(6) . ?
Rh4 C35 2.099(4) . ?
Rh4 C42 2.187(4) . ?
Rh4 C41 2.204(4) . ?
Rh4 C43 2.225(4) . ?
Rh4 C44 2.233(4) . ?
Rh4 C45 2.277(4) . ?
Rh4 B34 2.347(5) . ?
C31 B35 1.699(7) . ?
C31 B32 1.707(7) . ?
C31 B40 1.712(7) . ?
C31 B36 1.732(7) . ?
B32 B36 1.760(7) . ?
B32 B37 1.786(6) . ?
B32 B33 1.814(6) . ?
B33 B38 1.760(6) . ?
B33 B37 1.777(6) . ?
B33 B34 1.780(7) . ?
B34 B39 1.773(7) . ?
B34 B35 1.778(7) . ?
B34 B38 1.783(7) . ?
B35 B40 1.795(8) . ?
B35 B39 1.796(7) . ?
B36 B40 1.752(9) . ?
B36 B41 1.772(7) . ?
B36 B37 1.790(8) . ?
B37 B38 1.779(7) . ?
B37 B41 1.786(8) . ?
B38 B41 1.765(7) . ?
B38 B39 1.821(7) . ?
B39 B40 1.758(8) . ?
B39 B41 1.783(8) . ?
B40 B41 1.773(9) . ?
C32 O32 1.144(5) . ?
C33 O33 1.140(5) . ?
C34 O34 1.166(5) . ?
C35 O35 1.163(4) . ?
C41 C45 1.425(7) . ?
C41 C42 1.451(6) . ?
C41 C46 1.484(7) . ?
C42 C43 1.424(7) . ?
C42 C47 1.512(6) . ?
C43 C44 1.434(6) . ?
C43 C48 1.503(6) . ?
C44 C45 1.433(7) . ?
C44 C49 1.493(7) . ?
C45 C50 1.497(6) . ?
C51 C52 1.411(5) . ?
C51 C55 1.433(5) . ?
C51 C56 1.498(5) . ?
C52 C53 1.427(6) . ?
C52 C57 1.494(6) . ?
C53 C54 1.426(6) . ?
C53 C58 1.511(6) . ?
C54 C55 1.435(5) . ?
C54 C59 1.501(6) . ?
C55 C60 1.491(5) . ?
