#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:53:29 +0100 (vie 25 de mar de 2016) $
#$Revision: 179768 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/64/7006467.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_7006467
loop_
_publ_author_name
'Cai, Shuyi'
'Lin, YueJian'
'Jin, Guo-Xin'
_publ_section_title
;
 Heterometallic cluster complexes (RhMo, RhW) containing bridging
 1,2-dicarba-closo-dodecaborane-1,2-dichalocogenolato ligands.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              912
_journal_page_last               918
_journal_paper_doi               10.1039/b511096c
_journal_year                    2006
_chemical_formula_sum            'C26 H50 B20 Mo O2 Rh2 Se4'
_chemical_formula_weight         1228.46
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.109(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.245(6)
_cell_length_b                   21.417(8)
_cell_length_c                   15.405(6)
_cell_measurement_reflns_used    924
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.266
_cell_measurement_theta_min      2.430
_cell_volume                     4441(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0779
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20174
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.51
_diffrn_standards_decay_%        3.67
_exptl_absorpt_coefficient_mu    4.319
_exptl_absorpt_correction_T_max  0.8130
_exptl_absorpt_correction_T_min  0.5635
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.585
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.852
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         8721
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.852
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0307P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0681
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                5485
_reflns_number_total             8721
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b511096c.txt
_cod_data_source_block           f40107b
_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 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7006467
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.26164(3) 0.71847(2) 0.36450(3) 0.03173(12) Uani 1 1 d . . .
Rh1 Rh 0.38020(3) 0.82416(2) 0.36405(3) 0.03648(12) Uani 1 1 d . . .
Rh2 Rh 0.07406(3) 0.677505(19) 0.35819(3) 0.03000(11) Uani 1 1 d . . .
Se1 Se 0.43442(4) 0.74710(3) 0.48726(4) 0.03963(15) Uani 1 1 d . . .
Se2 Se 0.38035(4) 0.73227(3) 0.26624(4) 0.03705(15) Uani 1 1 d . . .
Se3 Se 0.21861(4) 0.60607(3) 0.41389(4) 0.03965(15) Uani 1 1 d . . .
Se4 Se 0.12167(4) 0.67859(2) 0.22053(4) 0.03188(13) Uani 1 1 d . . .
O1 O 0.1402(3) 0.83487(18) 0.2778(3) 0.0591(12) Uani 1 1 d . . .
O2 O 0.2139(3) 0.7589(2) 0.5384(3) 0.0740(15) Uani 1 1 d . . .
B3 B 0.4986(5) 0.6274(3) 0.4085(5) 0.0472(19) Uani 1 1 d . . .
H3 H 0.4295 0.6046 0.4089 0.057 Uiso 1 1 calc R . .
B4 B 0.5979(5) 0.6398(4) 0.5104(6) 0.062(2) Uani 1 1 d . . .
H4 H 0.5943 0.6253 0.5777 0.075 Uiso 1 1 calc R . .
B5 B 0.6608(5) 0.7099(4) 0.4993(5) 0.063(2) Uani 1 1 d . . .
H5 H 0.6970 0.7405 0.5582 0.075 Uiso 1 1 calc R . .
B6 B 0.5982(5) 0.7396(4) 0.3889(5) 0.055(2) Uani 1 1 d . . .
H6 H 0.5939 0.7903 0.3765 0.066 Uiso 1 1 calc R . .
B7 B 0.5427(5) 0.6169(3) 0.3155(5) 0.053(2) Uani 1 1 d . . .
H7 H 0.5033 0.5877 0.2559 0.064 Uiso 1 1 calc R . .
B8 B 0.6080(5) 0.5856(4) 0.4264(6) 0.066(2) Uani 1 1 d . . .
H8 H 0.6124 0.5349 0.4391 0.079 Uiso 1 1 calc R . .
B9 B 0.7089(6) 0.6365(4) 0.4815(6) 0.080(3) Uani 1 1 d . . .
H9 H 0.7790 0.6187 0.5298 0.096 Uiso 1 1 calc R . .
B10 B 0.7072(5) 0.6981(4) 0.4069(6) 0.067(2) Uani 1 1 d . . .
H10 H 0.7763 0.7208 0.4062 0.081 Uiso 1 1 calc R . .
B11 B 0.6054(5) 0.6868(4) 0.3041(5) 0.062(2) Uani 1 1 d . . .
H11 H 0.6063 0.7023 0.2363 0.074 Uiso 1 1 calc R . .
B12 B 0.6745(5) 0.6227(4) 0.3629(6) 0.075(3) Uani 1 1 d . . .
H12 H 0.7227 0.5959 0.3335 0.090 Uiso 1 1 calc R . .
B13 B 0.0780(5) 0.5369(3) 0.2403(6) 0.053(2) Uani 1 1 d . . .
H13 H 0.0130 0.5485 0.2608 0.063 Uiso 1 1 calc R . .
B14 B 0.1624(6) 0.4767(3) 0.2957(6) 0.065(2) Uani 1 1 d . . .
H14 H 0.1520 0.4492 0.3521 0.078 Uiso 1 1 calc R . .
B15 B 0.2822(5) 0.4972(3) 0.2964(6) 0.052(2) Uani 1 1 d . . .
H15 H 0.3489 0.4831 0.3531 0.062 Uiso 1 1 calc R . .
B16 B 0.2724(5) 0.5701(3) 0.2388(4) 0.0375(16) Uani 1 1 d . . .
H16 H 0.3339 0.6039 0.2579 0.045 Uiso 1 1 calc R . .
B17 B 0.0755(6) 0.5433(3) 0.1241(6) 0.062(2) Uani 1 1 d . . .
H17 H 0.0092 0.5594 0.0688 0.075 Uiso 1 1 calc R . .
B18 B 0.0841(6) 0.4688(4) 0.1792(7) 0.078(3) Uani 1 1 d . . .
H18 H 0.0220 0.4353 0.1589 0.093 Uiso 1 1 calc R . .
B19 B 0.2090(6) 0.4444(3) 0.2129(6) 0.067(3) Uani 1 1 d . . .
H19 H 0.2288 0.3947 0.2143 0.081 Uiso 1 1 calc R . .
B20 B 0.2778(5) 0.5017(3) 0.1796(5) 0.054(2) Uani 1 1 d . . .
H20 H 0.3430 0.4899 0.1596 0.065 Uiso 1 1 calc R . .
B21 B 0.1942(5) 0.5633(3) 0.1246(5) 0.0476(18) Uani 1 1 d . . .
H21 H 0.2040 0.5922 0.0692 0.057 Uiso 1 1 calc R . .
B22 B 0.1567(6) 0.4838(4) 0.1089(7) 0.074(3) Uani 1 1 d . . .
H22 H 0.1428 0.4597 0.0428 0.089 Uiso 1 1 calc R . .
C1 C 0.5345(4) 0.6996(3) 0.4492(4) 0.0440(15) Uani 1 1 d . . .
C2 C 0.5046(4) 0.6888(3) 0.3388(4) 0.0425(15) Uani 1 1 d . . .
C5 C 0.1989(4) 0.7973(3) 0.3122(4) 0.0443(15) Uani 1 1 d . . .
C6 C 0.2198(4) 0.7398(3) 0.4709(4) 0.0477(16) Uani 1 1 d . . .
C3 C 0.2001(4) 0.5530(2) 0.3047(4) 0.0397(14) Uani 1 1 d . . .
C4 C 0.1501(4) 0.5895(2) 0.2073(4) 0.0395(14) Uani 1 1 d . . .
C11 C 0.4528(5) 0.8974(3) 0.3074(4) 0.0518(17) Uani 1 1 d . . .
C7 C 0.3479(5) 0.9116(3) 0.2857(4) 0.0492(16) Uani 1 1 d . . .
C8 C 0.3293(4) 0.9229(2) 0.3702(5) 0.0479(16) Uani 1 1 d . . .
C9 C 0.4182(5) 0.9113(2) 0.4440(4) 0.0458(15) Uani 1 1 d . . .
C10 C 0.4946(4) 0.8981(3) 0.4038(4) 0.0481(16) Uani 1 1 d . . .
C16 C 0.5025(5) 0.8888(3) 0.2367(5) 0.076(2) Uani 1 1 d . . .
H16A H 0.5276 0.9282 0.2243 0.114 Uiso 1 1 calc R . .
H16B H 0.4553 0.8728 0.1812 0.114 Uiso 1 1 calc R . .
H16C H 0.5564 0.8598 0.2590 0.114 Uiso 1 1 calc R . .
C12 C 0.2769(5) 0.9231(3) 0.1911(4) 0.073(2) Uani 1 1 d . . .
H12A H 0.2786 0.9665 0.1759 0.110 Uiso 1 1 calc R . .
H12B H 0.2109 0.9120 0.1890 0.110 Uiso 1 1 calc R . .
H12C H 0.2957 0.8982 0.1476 0.110 Uiso 1 1 calc R . .
C13 C 0.2342(5) 0.9484(3) 0.3817(5) 0.071(2) Uani 1 1 d . . .
H13A H 0.2357 0.9932 0.3809 0.107 Uiso 1 1 calc R . .
H13B H 0.2290 0.9343 0.4391 0.107 Uiso 1 1 calc R . .
H13C H 0.1780 0.9338 0.3322 0.107 Uiso 1 1 calc R . .
C14 C 0.4352(5) 0.9177(3) 0.5436(4) 0.071(2) Uani 1 1 d . . .
H14A H 0.4504 0.9604 0.5617 0.106 Uiso 1 1 calc R . .
H14B H 0.4898 0.8916 0.5772 0.106 Uiso 1 1 calc R . .
H14C H 0.3764 0.9053 0.5567 0.106 Uiso 1 1 calc R . .
C15 C 0.6051(4) 0.8931(3) 0.4615(5) 0.072(2) Uani 1 1 d . . .
H15A H 0.6353 0.9336 0.4672 0.108 Uiso 1 1 calc R . .
H15B H 0.6379 0.8652 0.4319 0.108 Uiso 1 1 calc R . .
H15C H 0.6112 0.8774 0.5215 0.108 Uiso 1 1 calc R . .
C17 C -0.0678(3) 0.7262(3) 0.3132(4) 0.0350(13) Uani 1 1 d . . .
C18 C -0.0879(4) 0.6610(3) 0.3016(4) 0.0360(14) Uani 1 1 d . . .
C19 C -0.0505(4) 0.6327(3) 0.3889(4) 0.0392(14) Uani 1 1 d . . .
C20 C -0.0087(4) 0.6809(3) 0.4547(4) 0.0386(14) Uani 1 1 d . . .
C21 C -0.0236(3) 0.7395(3) 0.4072(4) 0.0341(13) Uani 1 1 d . . .
C22 C -0.1018(4) 0.7754(3) 0.2372(4) 0.0532(17) Uani 1 1 d . . .
H22A H -0.1677 0.7891 0.2317 0.080 Uiso 1 1 calc R . .
H22B H -0.1018 0.7576 0.1800 0.080 Uiso 1 1 calc R . .
H22C H -0.0572 0.8104 0.2523 0.080 Uiso 1 1 calc R . .
C23 C -0.1469(4) 0.6305(3) 0.2117(4) 0.0582(18) Uani 1 1 d . . .
H23A H -0.2160 0.6299 0.2062 0.087 Uiso 1 1 calc R . .
H23B H -0.1239 0.5885 0.2103 0.087 Uiso 1 1 calc R . .
H23C H -0.1383 0.6538 0.1616 0.087 Uiso 1 1 calc R . .
C24 C -0.0589(4) 0.5661(3) 0.4146(5) 0.0625(19) Uani 1 1 d . . .
H24A H -0.1216 0.5598 0.4240 0.094 Uiso 1 1 calc R . .
H24B H -0.0059 0.5564 0.4701 0.094 Uiso 1 1 calc R . .
H24C H -0.0547 0.5393 0.3660 0.094 Uiso 1 1 calc R . .
C25 C 0.0288(4) 0.6727(3) 0.5579(4) 0.0620(18) Uani 1 1 d . . .
H25A H -0.0257 0.6766 0.5813 0.093 Uiso 1 1 calc R . .
H25B H 0.0776 0.7041 0.5852 0.093 Uiso 1 1 calc R . .
H25C H 0.0583 0.6321 0.5729 0.093 Uiso 1 1 calc R . .
C26 C -0.0046(4) 0.8026(3) 0.4495(4) 0.0557(18) Uani 1 1 d . . .
H26A H -0.0622 0.8166 0.4631 0.084 Uiso 1 1 calc R . .
H26B H 0.0097 0.8312 0.4074 0.084 Uiso 1 1 calc R . .
H26C H 0.0511 0.8008 0.5052 0.084 Uiso 1 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'
O O 0.0106 0.0060 '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'
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'
Se Se -0.0929 2.2259 '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
C5 Mo1 C6 85.5(3) . . ?
C5 Mo1 Se4 79.18(17) . . ?
C6 Mo1 Se4 115.46(15) . . ?
C5 Mo1 Se2 87.66(17) . . ?
C6 Mo1 Se2 151.48(16) . . ?
Se4 Mo1 Se2 90.23(4) . . ?
C5 Mo1 Se1 106.73(16) . . ?
C6 Mo1 Se1 79.36(15) . . ?
Se4 Mo1 Se1 164.77(3) . . ?
Se2 Mo1 Se1 76.21(4) . . ?
C5 Mo1 Se3 141.53(16) . . ?
C6 Mo1 Se3 79.10(18) . . ?
Se4 Mo1 Se3 76.21(3) . . ?
Se2 Mo1 Se3 121.27(3) . . ?
Se1 Mo1 Se3 104.71(3) . . ?
C5 Mo1 Rh2 87.34(16) . . ?
C6 Mo1 Rh2 63.52(15) . . ?
Se4 Mo1 Rh2 53.56(3) . . ?
Se2 Mo1 Rh2 143.73(3) . . ?
Se1 Mo1 Rh2 139.26(3) . . ?
Se3 Mo1 Rh2 54.230(17) . . ?
C5 Mo1 Rh1 60.03(16) . . ?
C6 Mo1 Rh1 99.21(17) . . ?
Se4 Mo1 Rh1 123.68(3) . . ?
Se2 Mo1 Rh1 53.92(2) . . ?
Se1 Mo1 Rh1 52.95(2) . . ?
Se3 Mo1 Rh1 157.06(2) . . ?
Rh2 Mo1 Rh1 145.09(2) . . ?
C7 Rh1 C9 63.5(2) . . ?
C7 Rh1 C11 38.5(2) . . ?
C9 Rh1 C11 63.8(2) . . ?
C7 Rh1 C10 62.8(2) . . ?
C9 Rh1 C10 38.2(2) . . ?
C11 Rh1 C10 37.1(2) . . ?
C7 Rh1 C8 37.6(2) . . ?
C9 Rh1 C8 37.2(2) . . ?
C11 Rh1 C8 63.1(2) . . ?
C10 Rh1 C8 62.1(2) . . ?
C7 Rh1 Se1 163.90(16) . . ?
C9 Rh1 Se1 100.39(16) . . ?
C11 Rh1 Se1 135.81(16) . . ?
C10 Rh1 Se1 104.60(16) . . ?
C8 Rh1 Se1 128.87(17) . . ?
C7 Rh1 Se2 112.62(17) . . ?
C9 Rh1 Se2 164.40(17) . . ?
C11 Rh1 Se2 103.29(18) . . ?
C10 Rh1 Se2 126.15(17) . . ?
C8 Rh1 Se2 146.82(17) . . ?
Se1 Rh1 Se2 82.70(4) . . ?
C7 Rh1 C5 90.7(2) . . ?
C9 Rh1 C5 114.3(2) . . ?
C11 Rh1 C5 127.1(2) . . ?
C10 Rh1 C5 147.3(2) . . ?
C8 Rh1 C5 85.2(2) . . ?
Se1 Rh1 C5 97.08(14) . . ?
Se2 Rh1 C5 80.21(14) . . ?
C7 Rh1 Mo1 131.86(16) . . ?
C9 Rh1 Mo1 135.60(16) . . ?
C11 Rh1 Mo1 157.98(17) . . ?
C10 Rh1 Mo1 163.83(16) . . ?
C8 Rh1 Mo1 123.54(15) . . ?
Se1 Rh1 Mo1 59.60(3) . . ?
Se2 Rh1 Mo1 59.00(3) . . ?
C5 Rh1 Mo1 42.51(13) . . ?
C17 Rh2 C20 63.2(2) . . ?
C17 Rh2 C19 63.1(2) . . ?
C20 Rh2 C19 38.18(19) . . ?
C17 Rh2 C18 37.92(18) . . ?
C20 Rh2 C18 63.1(2) . . ?
C19 Rh2 C18 37.31(19) . . ?
C17 Rh2 C21 37.27(18) . . ?
C20 Rh2 C21 37.92(18) . . ?
C19 Rh2 C21 63.2(2) . . ?
C18 Rh2 C21 62.77(19) . . ?
C17 Rh2 Se4 102.28(14) . . ?
C20 Rh2 Se4 164.37(14) . . ?
C19 Rh2 Se4 131.87(16) . . ?
C18 Rh2 Se4 102.16(15) . . ?
C21 Rh2 Se4 132.43(14) . . ?
C17 Rh2 Se3 169.90(14) . . ?
C20 Rh2 Se3 110.95(14) . . ?
C19 Rh2 Se3 107.04(15) . . ?
C18 Rh2 Se3 132.69(14) . . ?
C21 Rh2 Se3 142.19(14) . . ?
Se4 Rh2 Se3 82.56(3) . . ?
C17 Rh2 C6 115.0(2) . . ?
C20 Rh2 C6 91.1(2) . . ?
C19 Rh2 C6 127.2(2) . . ?
C18 Rh2 C6 148.04(19) . . ?
C21 Rh2 C6 85.32(19) . . ?
Se4 Rh2 C6 100.83(14) . . ?
Se3 Rh2 C6 72.19(14) . . ?
C17 Rh2 Mo1 129.84(14) . . ?
C20 Rh2 Mo1 133.84(15) . . ?
C19 Rh2 Mo1 164.19(15) . . ?
C18 Rh2 Mo1 158.39(15) . . ?
C21 Rh2 Mo1 119.96(14) . . ?
Se4 Rh2 Mo1 59.22(2) . . ?
Se3 Rh2 Mo1 60.26(3) . . ?
C6 Rh2 Mo1 42.82(14) . . ?
C1 Se1 Rh1 101.01(17) . . ?
C1 Se1 Mo1 105.08(16) . . ?
Rh1 Se1 Mo1 67.45(3) . . ?
C2 Se2 Rh1 101.99(17) . . ?
C2 Se2 Mo1 104.23(16) . . ?
Rh1 Se2 Mo1 67.09(3) . . ?
C3 Se3 Rh2 101.31(15) . . ?
C3 Se3 Mo1 104.85(16) . . ?
Rh2 Se3 Mo1 65.51(3) . . ?
C4 Se4 Rh2 101.92(17) . . ?
C4 Se4 Mo1 106.27(15) . . ?
Rh2 Se4 Mo1 67.23(3) . . ?
C1 B3 C2 57.2(3) . . ?
C1 B3 B8 105.5(5) . . ?
C2 B3 B8 105.6(5) . . ?
C1 B3 B4 58.0(4) . . ?
C2 B3 B4 104.6(5) . . ?
B8 B3 B4 61.2(4) . . ?
C1 B3 B7 106.0(5) . . ?
C2 B3 B7 59.0(4) . . ?
B8 B3 B7 61.5(4) . . ?
B4 B3 B7 110.5(5) . . ?
C1 B4 B3 58.9(4) . . ?
C1 B4 B8 104.4(5) . . ?
B3 B4 B8 58.9(4) . . ?
C1 B4 B9 104.5(6) . . ?
B3 B4 B9 107.0(6) . . ?
B8 B4 B9 60.1(5) . . ?
C1 B4 B5 59.8(4) . . ?
B3 B4 B5 109.0(5) . . ?
B8 B4 B5 108.5(6) . . ?
B9 B4 B5 59.7(5) . . ?
C1 B5 B6 59.3(4) . . ?
C1 B5 B10 103.4(5) . . ?
B6 B5 B10 58.7(4) . . ?
C1 B5 B9 102.5(6) . . ?
B6 B5 B9 105.7(6) . . ?
B10 B5 B9 58.9(5) . . ?
C1 B5 B4 56.8(4) . . ?
B6 B5 B4 106.5(5) . . ?
B10 B5 B4 106.7(6) . . ?
B9 B5 B4 60.0(5) . . ?
C2 B6 C1 56.8(3) . . ?
C2 B6 B10 105.9(5) . . ?
C1 B6 B10 105.1(5) . . ?
C2 B6 B5 106.4(5) . . ?
C1 B6 B5 59.3(4) . . ?
B10 B6 B5 61.0(4) . . ?
C2 B6 B11 58.5(4) . . ?
C1 B6 B11 104.5(5) . . ?
B10 B6 B11 61.3(4) . . ?
B5 B6 B11 110.6(6) . . ?
C2 B7 B3 59.4(4) . . ?
C2 B7 B12 102.4(5) . . ?
B3 B7 B12 105.5(6) . . ?
C2 B7 B8 103.8(5) . . ?
B3 B7 B8 58.7(4) . . ?
B12 B7 B8 59.1(4) . . ?
C2 B7 B11 57.8(4) . . ?
B3 B7 B11 107.3(5) . . ?
B12 B7 B11 59.1(4) . . ?
B8 B7 B11 106.8(6) . . ?
B3 B8 B12 107.2(5) . . ?
B3 B8 B4 59.9(4) . . ?
B12 B8 B4 107.2(6) . . ?
B3 B8 B9 107.6(6) . . ?
B12 B8 B9 59.4(5) . . ?
B4 B8 B9 59.9(5) . . ?
B3 B8 B7 59.7(4) . . ?
B12 B8 B7 60.3(4) . . ?
B4 B8 B7 108.0(5) . . ?
B9 B8 B7 108.2(6) . . ?
B10 B9 B12 60.1(5) . . ?
B10 B9 B5 60.5(5) . . ?
B12 B9 B5 108.6(6) . . ?
B10 B9 B4 108.2(6) . . ?
B12 B9 B4 107.4(6) . . ?
B5 B9 B4 60.3(4) . . ?
B10 B9 B8 108.3(6) . . ?
B12 B9 B8 59.7(5) . . ?
B5 B9 B8 108.9(5) . . ?
B4 B9 B8 59.9(5) . . ?
B6 B10 B9 108.2(6) . . ?
B6 B10 B12 107.5(5) . . ?
B9 B10 B12 60.2(5) . . ?
B6 B10 B5 60.3(4) . . ?
B9 B10 B5 60.5(5) . . ?
B12 B10 B5 108.7(6) . . ?
B6 B10 B11 60.0(4) . . ?
B9 B10 B11 108.3(6) . . ?
B12 B10 B11 59.7(5) . . ?
B5 B10 B11 108.9(5) . . ?
C2 B11 B12 104.4(5) . . ?
C2 B11 B6 59.0(4) . . ?
B12 B11 B6 106.2(6) . . ?
C2 B11 B10 104.2(5) . . ?
B12 B11 B10 59.4(4) . . ?
B6 B11 B10 58.7(4) . . ?
C2 B11 B7 59.0(4) . . ?
B12 B11 B7 60.5(4) . . ?
B6 B11 B7 108.4(5) . . ?
B10 B11 B7 108.4(6) . . ?
B10 B12 B9 59.7(5) . . ?
B10 B12 B11 60.9(5) . . ?
B9 B12 B11 108.9(6) . . ?
B10 B12 B8 109.0(6) . . ?
B9 B12 B8 61.0(5) . . ?
B11 B12 B8 109.1(5) . . ?
B10 B12 B7 109.5(5) . . ?
B9 B12 B7 109.7(6) . . ?
B11 B12 B7 60.4(4) . . ?
B8 B12 B7 60.6(4) . . ?
C4 B13 C3 56.7(3) . . ?
C4 B13 B18 104.4(5) . . ?
C3 B13 B18 104.9(5) . . ?
C4 B13 B14 104.0(5) . . ?
C3 B13 B14 58.3(4) . . ?
B18 B13 B14 60.7(5) . . ?
C4 B13 B17 57.8(4) . . ?
C3 B13 B17 104.2(5) . . ?
B18 B13 B17 60.9(5) . . ?
B14 B13 B17 109.0(6) . . ?
C3 B14 B15 58.9(4) . . ?
C3 B14 B19 104.6(5) . . ?
B15 B14 B19 60.5(4) . . ?
C3 B14 B13 59.5(3) . . ?
B15 B14 B13 109.0(5) . . ?
B19 B14 B13 107.1(6) . . ?
C3 B14 B18 104.5(5) . . ?
B15 B14 B18 108.5(6) . . ?
B19 B14 B18 59.6(5) . . ?
B13 B14 B18 59.0(4) . . ?
C3 B15 B14 59.2(4) . . ?
C3 B15 B19 104.3(5) . . ?
B14 B15 B19 59.8(4) . . ?
C3 B15 B16 58.5(3) . . ?
B14 B15 B16 107.3(5) . . ?
B19 B15 B16 105.4(5) . . ?
C3 B15 B20 103.8(5) . . ?
B14 B15 B20 107.0(6) . . ?
B19 B15 B20 58.9(4) . . ?
B16 B15 B20 58.5(4) . . ?
C4 B16 C3 57.4(3) . . ?
C4 B16 B20 105.8(5) . . ?
C3 B16 B20 105.7(5) . . ?
C4 B16 B21 58.6(3) . . ?
C3 B16 B21 105.7(5) . . ?
B20 B16 B21 61.7(4) . . ?
C4 B16 B15 105.3(5) . . ?
C3 B16 B15 58.6(3) . . ?
B20 B16 B15 60.9(4) . . ?
B21 B16 B15 110.3(5) . . ?
C4 B17 B21 59.0(4) . . ?
C4 B17 B22 104.1(5) . . ?
B21 B17 B22 60.4(4) . . ?
C4 B17 B13 58.9(4) . . ?
B21 B17 B13 108.4(5) . . ?
B22 B17 B13 106.0(6) . . ?
C4 B17 B18 103.6(5) . . ?
B21 B17 B18 107.5(5) . . ?
B22 B17 B18 58.7(5) . . ?
B13 B17 B18 58.7(5) . . ?
B13 B18 B19 108.1(6) . . ?
B13 B18 B22 108.7(5) . . ?
B19 B18 B22 59.5(5) . . ?
B13 B18 B14 60.3(4) . . ?
B19 B18 B14 59.6(5) . . ?
B22 B18 B14 107.6(5) . . ?
B13 B18 B17 60.4(4) . . ?
B19 B18 B17 107.9(6) . . ?
B22 B18 B17 60.5(5) . . ?
B14 B18 B17 108.3(5) . . ?
B22 B19 B20 60.3(5) . . ?
B22 B19 B18 60.1(5) . . ?
B20 B19 B18 108.4(6) . . ?
B22 B19 B14 109.0(5) . . ?
B20 B19 B14 108.5(5) . . ?
B18 B19 B14 60.8(5) . . ?
B22 B19 B15 109.4(5) . . ?
B20 B19 B15 60.9(4) . . ?
B18 B19 B15 108.8(5) . . ?
B14 B19 B15 59.7(4) . . ?
B16 B20 B19 108.1(5) . . ?
B16 B20 B22 107.8(5) . . ?
B19 B20 B22 59.8(5) . . ?
B16 B20 B15 60.6(4) . . ?
B19 B20 B15 60.2(4) . . ?
B22 B20 B15 108.5(6) . . ?
B16 B20 B21 59.5(4) . . ?
B19 B20 B21 107.8(5) . . ?
B22 B20 B21 60.1(4) . . ?
B15 B20 B21 108.4(5) . . ?
C4 B21 B17 59.0(4) . . ?
C4 B21 B16 59.1(3) . . ?
B17 B21 B16 108.7(5) . . ?
C4 B21 B22 104.6(5) . . ?
B17 B21 B22 61.1(4) . . ?
B16 B21 B22 106.3(5) . . ?
C4 B21 B20 104.0(5) . . ?
B17 B21 B20 108.4(5) . . ?
B16 B21 B20 58.8(4) . . ?
B22 B21 B20 58.9(4) . . ?
B19 B22 B20 59.9(4) . . ?
B19 B22 B18 60.4(5) . . ?
B20 B22 B18 108.4(6) . . ?
B19 B22 B21 108.6(5) . . ?
B20 B22 B21 61.0(4) . . ?
B18 B22 B21 107.7(5) . . ?
B19 B22 B17 108.9(6) . . ?
B20 B22 B17 108.0(5) . . ?
B18 B22 B17 60.8(5) . . ?
B21 B22 B17 58.5(4) . . ?
C2 C1 B4 112.9(5) . . ?
C2 C1 B3 62.4(4) . . ?
B4 C1 B3 63.1(4) . . ?
C2 C1 B6 60.8(4) . . ?
B4 C1 B6 113.7(5) . . ?
B3 C1 B6 113.9(5) . . ?
C2 C1 B5 111.3(5) . . ?
B4 C1 B5 63.4(4) . . ?
B3 C1 B5 115.4(5) . . ?
B6 C1 B5 61.4(4) . . ?
C2 C1 Se1 114.4(3) . . ?
B4 C1 Se1 122.2(4) . . ?
B3 C1 Se1 114.8(4) . . ?
B6 C1 Se1 117.4(4) . . ?
B5 C1 Se1 123.1(4) . . ?
C1 C2 B11 112.0(5) . . ?
C1 C2 B6 62.4(4) . . ?
B11 C2 B6 62.5(4) . . ?
C1 C2 B7 110.8(5) . . ?
B11 C2 B7 63.2(4) . . ?
B6 C2 B7 114.6(5) . . ?
C1 C2 B3 60.4(4) . . ?
B11 C2 B3 113.5(5) . . ?
B6 C2 B3 113.5(5) . . ?
B7 C2 B3 61.6(4) . . ?
C1 C2 Se2 113.6(4) . . ?
B11 C2 Se2 121.8(4) . . ?
B6 C2 Se2 112.2(4) . . ?
B7 C2 Se2 126.1(4) . . ?
B3 C2 Se2 119.5(4) . . ?
O1 C5 Mo1 162.4(5) . . ?
O1 C5 Rh1 120.1(4) . . ?
Mo1 C5 Rh1 77.46(19) . . ?
O2 C6 Mo1 165.6(5) . . ?
O2 C6 Rh2 120.7(4) . . ?
Mo1 C6 Rh2 73.66(18) . . ?
C4 C3 B16 61.1(3) . . ?
C4 C3 B15 111.7(5) . . ?
B16 C3 B15 62.9(4) . . ?
C4 C3 B14 110.5(5) . . ?
B16 C3 B14 113.0(5) . . ?
B15 C3 B14 61.9(4) . . ?
C4 C3 B13 61.0(4) . . ?
B16 C3 B13 113.0(5) . . ?
B15 C3 B13 113.7(5) . . ?
B14 C3 B13 62.1(4) . . ?
C4 C3 Se3 113.8(3) . . ?
B16 C3 Se3 116.5(4) . . ?
B15 C3 Se3 124.3(4) . . ?
B14 C3 Se3 124.7(4) . . ?
B13 C3 Se3 115.6(4) . . ?
C3 C4 B21 112.0(4) . . ?
C3 C4 B17 113.1(5) . . ?
B21 C4 B17 62.0(4) . . ?
C3 C4 B16 61.5(3) . . ?
B21 C4 B16 62.3(4) . . ?
B17 C4 B16 113.8(5) . . ?
C3 C4 B13 62.3(4) . . ?
B21 C4 B13 114.3(5) . . ?
B17 C4 B13 63.2(4) . . ?
B16 C4 B13 114.3(4) . . ?
C3 C4 Se4 114.2(3) . . ?
B21 C4 Se4 122.6(4) . . ?
B17 C4 Se4 123.0(4) . . ?
B16 C4 Se4 115.6(4) . . ?
B13 C4 Se4 116.3(4) . . ?
C10 C11 C7 106.8(6) . . ?
C10 C11 C16 129.3(6) . . ?
C7 C11 C16 123.7(6) . . ?
C10 C11 Rh1 71.5(3) . . ?
C7 C11 Rh1 70.2(3) . . ?
C16 C11 Rh1 126.6(5) . . ?
C8 C7 C11 107.9(6) . . ?
C8 C7 C12 126.2(6) . . ?
C11 C7 C12 125.1(6) . . ?
C8 C7 Rh1 73.2(3) . . ?
C11 C7 Rh1 71.3(3) . . ?
C12 C7 Rh1 129.0(4) . . ?
C9 C8 C7 108.6(5) . . ?
C9 C8 C13 124.2(6) . . ?
C7 C8 C13 127.0(6) . . ?
C9 C8 Rh1 69.8(3) . . ?
C7 C8 Rh1 69.2(3) . . ?
C13 C8 Rh1 130.8(4) . . ?
C8 C9 C10 106.8(5) . . ?
C8 C9 C14 128.0(6) . . ?
C10 C9 C14 124.9(6) . . ?
C8 C9 Rh1 73.0(3) . . ?
C10 C9 Rh1 71.1(3) . . ?
C14 C9 Rh1 125.8(4) . . ?
C11 C10 C9 109.7(6) . . ?
C11 C10 C15 127.5(6) . . ?
C9 C10 C15 122.5(6) . . ?
C11 C10 Rh1 71.4(3) . . ?
C9 C10 Rh1 70.6(3) . . ?
C15 C10 Rh1 129.3(4) . . ?
C21 C17 C18 109.3(5) . . ?
C21 C17 C22 124.8(5) . . ?
C18 C17 C22 125.4(5) . . ?
C21 C17 Rh2 73.3(3) . . ?
C18 C17 Rh2 72.4(3) . . ?
C22 C17 Rh2 127.0(4) . . ?
C19 C18 C17 107.7(5) . . ?
C19 C18 C23 127.7(5) . . ?
C17 C18 C23 124.5(5) . . ?
C19 C18 Rh2 70.9(3) . . ?
C17 C18 Rh2 69.7(3) . . ?
C23 C18 Rh2 128.7(4) . . ?
C18 C19 C20 107.8(5) . . ?
C18 C19 C24 128.5(6) . . ?
C20 C19 C24 123.5(6) . . ?
C18 C19 Rh2 71.8(3) . . ?
C20 C19 Rh2 70.1(3) . . ?
C24 C19 Rh2 127.8(4) . . ?
C21 C20 C19 108.2(5) . . ?
C21 C20 C25 125.5(5) . . ?
C19 C20 C25 125.5(5) . . ?
C21 C20 Rh2 72.8(3) . . ?
C19 C20 Rh2 71.7(3) . . ?
C25 C20 Rh2 129.0(4) . . ?
C17 C21 C20 106.9(5) . . ?
C17 C21 C26 126.2(5) . . ?
C20 C21 C26 126.7(5) . . ?
C17 C21 Rh2 69.4(3) . . ?
C20 C21 Rh2 69.3(3) . . ?
C26 C21 Rh2 130.3(4) . . ?
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 C5 1.956(6) . ?
Mo1 C6 1.972(6) . ?
Mo1 Se4 2.5939(9) . ?
Mo1 Se2 2.6294(10) . ?
Mo1 Se1 2.6387(10) . ?
Mo1 Se3 2.6560(11) . ?
Mo1 Rh2 2.7839(12) . ?
Mo1 Rh1 2.8256(10) . ?
Rh1 C7 2.194(6) . ?
Rh1 C9 2.204(5) . ?
Rh1 C11 2.210(6) . ?
Rh1 C10 2.210(5) . ?
Rh1 C8 2.246(6) . ?
Rh1 Se1 2.4419(10) . ?
Rh1 Se2 2.4791(10) . ?
Rh1 C5 2.508(6) . ?
Rh2 C17 2.176(5) . ?
Rh2 C20 2.180(5) . ?
Rh2 C19 2.201(5) . ?
Rh2 C18 2.211(5) . ?
Rh2 C21 2.226(5) . ?
Rh2 Se4 2.4288(11) . ?
Rh2 Se3 2.4820(9) . ?
Rh2 C6 2.597(5) . ?
Se1 C1 1.989(5) . ?
Se2 C2 1.988(5) . ?
Se3 C3 1.974(6) . ?
Se4 C4 1.974(5) . ?
O1 C5 1.157(6) . ?
O2 C6 1.146(6) . ?
B3 C1 1.685(9) . ?
B3 C2 1.718(8) . ?
B3 B8 1.739(9) . ?
B3 B4 1.756(10) . ?
B3 B7 1.757(10) . ?
B4 C1 1.670(9) . ?
B4 B8 1.779(11) . ?
B4 B9 1.779(11) . ?
B4 B5 1.785(11) . ?
B5 C1 1.724(8) . ?
B5 B6 1.761(10) . ?
B5 B10 1.774(11) . ?
B5 B9 1.774(12) . ?
B6 C2 1.698(9) . ?
B6 C1 1.724(9) . ?
B6 B10 1.732(9) . ?
B6 B11 1.756(11) . ?
B7 C2 1.710(9) . ?
B7 B12 1.783(10) . ?
B7 B8 1.788(10) . ?
B7 B11 1.781(11) . ?
B8 B12 1.760(11) . ?
B8 B9 1.782(12) . ?
B9 B10 1.745(12) . ?
B9 B12 1.754(13) . ?
B10 B12 1.753(12) . ?
B10 B11 1.780(11) . ?
B11 C2 1.689(8) . ?
B11 B12 1.758(11) . ?
B13 C4 1.712(8) . ?
B13 C3 1.733(8) . ?
B13 B18 1.754(10) . ?
B13 B14 1.778(10) . ?
B13 B17 1.784(11) . ?
B14 C3 1.712(8) . ?
B14 B15 1.758(10) . ?
B14 B19 1.761(11) . ?
B14 B18 1.784(12) . ?
B15 C3 1.707(8) . ?
B15 B19 1.772(11) . ?
B15 B16 1.779(9) . ?
B15 B20 1.784(10) . ?
B16 C4 1.700(8) . ?
B16 C3 1.705(8) . ?
B16 B20 1.741(9) . ?
B16 B21 1.754(9) . ?
B17 C4 1.691(8) . ?
B17 B21 1.741(10) . ?
B17 B22 1.788(10) . ?
B17 B18 1.793(12) . ?
B18 B19 1.762(11) . ?
B18 B22 1.756(13) . ?
B19 B22 1.746(12) . ?
B19 B20 1.748(11) . ?
B20 B22 1.754(10) . ?
B20 B21 1.793(10) . ?
B21 C4 1.690(8) . ?
B21 B22 1.776(10) . ?
C1 C2 1.629(8) . ?
C3 C4 1.635(7) . ?
C11 C10 1.407(8) . ?
C11 C7 1.452(8) . ?
C11 C16 1.493(8) . ?
C7 C8 1.431(8) . ?
C7 C12 1.497(8) . ?
C8 C9 1.419(8) . ?
C8 C13 1.525(8) . ?
C9 C10 1.446(8) . ?
C9 C14 1.479(8) . ?
C10 C15 1.538(8) . ?
C17 C21 1.407(7) . ?
C17 C18 1.426(7) . ?
C17 C22 1.530(7) . ?
C18 C19 1.411(7) . ?
C18 C23 1.512(7) . ?
C19 C20 1.433(7) . ?
C19 C24 1.496(7) . ?
C20 C21 1.432(7) . ?
C20 C25 1.513(7) . ?
C21 C26 1.486(7) . ?
