#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:53:29 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179768 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/64/7006466.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_7006466
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 S4'
_chemical_formula_weight         1040.86
_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                 109.426(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.062(6)
_cell_length_b                   21.235(9)
_cell_length_c                   15.358(7)
_cell_measurement_reflns_used    688
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.076
_cell_measurement_theta_min      2.378
_cell_volume                     4325(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 0.815
_diffrn_measured_fraction_theta_max 0.815
_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  0.0906
_diffrn_reflns_av_sigmaI/netI    0.2518
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10270
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        6.07
_exptl_absorpt_coefficient_mu    1.261
_exptl_absorpt_correction_T_max  0.8843
_exptl_absorpt_correction_T_min  0.8334
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2072
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.856
_refine_diff_density_min         -0.931
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.800
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         6219
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.803
_refine_ls_R_factor_all          0.1768
_refine_ls_R_factor_gt           0.0684
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0504P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1283
_refine_ls_wR_factor_ref         0.1579
_reflns_number_gt                2462
_reflns_number_total             6219
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b511096c.txt
_cod_data_source_block           f31124a
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7006466
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
Rh1 Rh 0.07797(8) 0.67802(7) 0.36000(8) 0.0414(4) Uani 1 1 d . . .
Rh2 Rh 0.38334(9) 0.82395(7) 0.36471(8) 0.0474(4) Uani 1 1 d . . .
Mo1 Mo 0.26663(9) 0.71706(7) 0.36526(8) 0.0437(5) Uani 1 1 d . . .
S1 S 0.1269(3) 0.6784(2) 0.2281(2) 0.0410(11) Uani 1 1 d . . .
S2 S 0.2190(3) 0.6083(2) 0.4098(3) 0.0529(13) Uani 1 1 d . . .
S3 S 0.4352(3) 0.7489(2) 0.4818(3) 0.0514(13) Uani 1 1 d . . .
S4 S 0.3846(3) 0.7332(2) 0.2747(2) 0.0482(13) Uani 1 1 d . . .
O1 O 0.2211(8) 0.7581(6) 0.5417(8) 0.082(4) Uani 1 1 d U . .
O2 O 0.1461(8) 0.8347(6) 0.2814(8) 0.067(4) Uani 1 1 d . . .
B3 B 0.2755(12) 0.5765(10) 0.2422(11) 0.045(6) Uani 1 1 d . . .
H3 H 0.3384 0.6102 0.2603 0.054 Uiso 1 1 calc R . .
B4 B 0.1946(13) 0.5692(10) 0.1304(12) 0.058(6) Uani 1 1 d . . .
H4 H 0.2039 0.5984 0.0746 0.070 Uiso 1 1 calc R . .
B5 B 0.0742(16) 0.5472(12) 0.1355(17) 0.081(8) Uani 1 1 d . . .
H5 H 0.0041 0.5624 0.0821 0.097 Uiso 1 1 calc R . .
B6 B 0.0802(15) 0.5415(11) 0.2470(16) 0.069(7) Uani 1 1 d . . .
H6 H 0.0151 0.5524 0.2690 0.083 Uiso 1 1 calc R . .
B7 B 0.2827(14) 0.5017(10) 0.2972(15) 0.060(6) Uani 1 1 d . . .
H7 H 0.3512 0.4867 0.3527 0.071 Uiso 1 1 calc R . .
B8 B 0.2768(13) 0.5070(11) 0.1837(14) 0.068(7) Uani 1 1 d . . .
H8 H 0.3425 0.4949 0.1633 0.082 Uiso 1 1 calc R . .
B9 B 0.1557(16) 0.4896(11) 0.1148(17) 0.073(7) Uani 1 1 d . . .
H9 H 0.1407 0.4663 0.0476 0.087 Uiso 1 1 calc R . .
B10 B 0.0832(15) 0.4752(11) 0.1846(16) 0.066(7) Uani 1 1 d . . .
H10 H 0.0194 0.4421 0.1635 0.080 Uiso 1 1 calc R . .
B11 B 0.1633(17) 0.4830(10) 0.2996(17) 0.072(7) Uani 1 1 d . . .
H11 H 0.1541 0.4556 0.3571 0.087 Uiso 1 1 calc R . .
B12 B 0.2090(16) 0.4477(12) 0.2154(17) 0.077(7) Uani 1 1 d . . .
H12 H 0.2280 0.3974 0.2156 0.093 Uiso 1 1 calc R . .
B13 B 0.4970(13) 0.6313(10) 0.4104(13) 0.055(6) Uani 1 1 d . . .
H13 H 0.4264 0.6086 0.4096 0.066 Uiso 1 1 calc R . .
B14 B 0.5965(14) 0.6440(11) 0.5150(14) 0.067(7) Uani 1 1 d . . .
H14 H 0.5934 0.6295 0.5828 0.080 Uiso 1 1 calc R . .
B15 B 0.6570(12) 0.7130(11) 0.5033(13) 0.064(7) Uani 1 1 d . . .
H15 H 0.6911 0.7437 0.5634 0.077 Uiso 1 1 calc R . .
B16 B 0.5980(12) 0.7462(10) 0.3891(12) 0.050(6) Uani 1 1 d . . .
H16 H 0.5957 0.7971 0.3753 0.060 Uiso 1 1 calc R . .
B17 B 0.5417(16) 0.6204(11) 0.3186(14) 0.061(7) Uani 1 1 d . . .
H17 H 0.5023 0.5905 0.2591 0.073 Uiso 1 1 calc R . .
B18 B 0.6066(15) 0.5870(11) 0.4315(17) 0.076(8) Uani 1 1 d . . .
H18 H 0.6108 0.5360 0.4448 0.091 Uiso 1 1 calc R . .
B19 B 0.7088(15) 0.6418(11) 0.4861(15) 0.073(7) Uani 1 1 d . . .
H19 H 0.7808 0.6253 0.5353 0.088 Uiso 1 1 calc R . .
B20 B 0.7076(15) 0.7006(13) 0.4112(15) 0.081(9) Uani 1 1 d . . .
H20 H 0.7787 0.7225 0.4120 0.097 Uiso 1 1 calc R . .
B21 B 0.6039(13) 0.6884(10) 0.3062(14) 0.061(7) Uani 1 1 d . . .
H21 H 0.6042 0.7023 0.2373 0.073 Uiso 1 1 calc R . .
B22 B 0.6749(15) 0.6281(14) 0.3670(17) 0.098(10) Uani 1 1 d . . .
H22 H 0.7251 0.6022 0.3379 0.117 Uiso 1 1 calc R . .
C1 C 0.1483(10) 0.5980(7) 0.2135(9) 0.037(4) Uani 1 1 d . . .
C2 C 0.2002(10) 0.5584(7) 0.3105(9) 0.036(4) Uani 1 1 d U . .
C3 C 0.5305(10) 0.7032(8) 0.4523(9) 0.048(5) Uani 1 1 d . . .
C4 C 0.5018(10) 0.6918(9) 0.3390(10) 0.053(5) Uani 1 1 d . . .
C5 C 0.2245(10) 0.7392(8) 0.4725(11) 0.049(4) Uani 1 1 d U . .
C6 C 0.2031(12) 0.7924(8) 0.3181(11) 0.044(5) Uani 1 1 d . . .
C7 C -0.0494(11) 0.6350(9) 0.3910(12) 0.040(4) Uani 1 1 d . . .
C8 C -0.0051(11) 0.6814(11) 0.4600(11) 0.054(5) Uani 1 1 d . . .
C9 C -0.0152(10) 0.7405(10) 0.4120(11) 0.051(6) Uani 1 1 d . . .
C10 C -0.0652(10) 0.7266(9) 0.3159(11) 0.038(5) Uani 1 1 d . . .
C11 C -0.0862(10) 0.6627(10) 0.3051(10) 0.044(5) Uani 1 1 d . . .
C12 C -0.0538(11) 0.5681(9) 0.4165(12) 0.075(6) Uani 1 1 d . . .
H12A H -0.1158 0.5604 0.4281 0.113 Uiso 1 1 calc R . .
H12B H 0.0022 0.5588 0.4710 0.113 Uiso 1 1 calc R . .
H12C H -0.0507 0.5417 0.3667 0.113 Uiso 1 1 calc R . .
C13 C 0.0316(11) 0.6736(9) 0.5602(9) 0.086(6) Uani 1 1 d . . .
H13A H -0.0227 0.6806 0.5838 0.129 Uiso 1 1 calc R . .
H13B H 0.0846 0.7034 0.5874 0.129 Uiso 1 1 calc R . .
H13C H 0.0571 0.6316 0.5753 0.129 Uiso 1 1 calc R . .
C14 C 0.0027(11) 0.8041(7) 0.4541(10) 0.053(5) Uani 1 1 d . . .
H14A H -0.0565 0.8178 0.4667 0.079 Uiso 1 1 calc R . .
H14B H 0.0173 0.8330 0.4122 0.079 Uiso 1 1 calc R . .
H14C H 0.0587 0.8026 0.5106 0.079 Uiso 1 1 calc R . .
C15 C -0.0978(10) 0.7764(7) 0.2404(10) 0.057(5) Uani 1 1 d . . .
H15A H -0.1642 0.7910 0.2345 0.086 Uiso 1 1 calc R . .
H15B H -0.0982 0.7584 0.1828 0.086 Uiso 1 1 calc R . .
H15C H -0.0514 0.8111 0.2562 0.086 Uiso 1 1 calc R . .
C16 C -0.1487(11) 0.6327(8) 0.2147(11) 0.068(6) Uani 1 1 d . . .
H16A H -0.2187 0.6341 0.2091 0.102 Uiso 1 1 calc R . .
H16B H -0.1282 0.5897 0.2134 0.102 Uiso 1 1 calc R . .
H16C H -0.1388 0.6553 0.1643 0.102 Uiso 1 1 calc R . .
C17 C 0.3362(12) 0.9206(8) 0.3723(10) 0.053(5) Uani 1 1 d . . .
C18 C 0.4176(13) 0.9122(8) 0.4439(12) 0.065(5) Uani 1 1 d . . .
C19 C 0.4985(13) 0.8985(8) 0.4055(12) 0.063(5) Uani 1 1 d . . .
C20 C 0.4510(14) 0.9006(9) 0.3093(11) 0.066(6) Uani 1 1 d . . .
C21 C 0.3484(12) 0.9137(8) 0.2899(12) 0.059(5) Uani 1 1 d . . .
C22 C 0.2373(12) 0.9463(8) 0.3833(12) 0.081(6) Uani 1 1 d . . .
H22A H 0.2388 0.9915 0.3838 0.121 Uiso 1 1 calc R . .
H22B H 0.2315 0.9314 0.4403 0.121 Uiso 1 1 calc R . .
H22C H 0.1805 0.9320 0.3327 0.121 Uiso 1 1 calc R . .
C23 C 0.4396(13) 0.9163(9) 0.5460(11) 0.094(7) Uani 1 1 d . . .
H23A H 0.4517 0.9595 0.5653 0.141 Uiso 1 1 calc R . .
H23B H 0.4981 0.8916 0.5771 0.141 Uiso 1 1 calc R . .
H23C H 0.3829 0.9007 0.5610 0.141 Uiso 1 1 calc R . .
C24 C 0.6129(12) 0.8962(9) 0.4652(12) 0.098(7) Uani 1 1 d . . .
H24A H 0.6411 0.9377 0.4697 0.147 Uiso 1 1 calc R . .
H24B H 0.6478 0.8685 0.4367 0.147 Uiso 1 1 calc R . .
H24C H 0.6199 0.8810 0.5259 0.147 Uiso 1 1 calc R . .
C25 C 0.5036(12) 0.8904(9) 0.2359(11) 0.097(7) Uani 1 1 d . . .
H25A H 0.5276 0.9301 0.2216 0.146 Uiso 1 1 calc R . .
H25B H 0.4562 0.8728 0.1810 0.146 Uiso 1 1 calc R . .
H25C H 0.5594 0.8621 0.2600 0.146 Uiso 1 1 calc R . .
C26 C 0.2768(12) 0.9256(9) 0.1906(11) 0.084(6) Uani 1 1 d . . .
H26A H 0.2762 0.9698 0.1768 0.126 Uiso 1 1 calc R . .
H26B H 0.2099 0.9123 0.1853 0.126 Uiso 1 1 calc R . .
H26C H 0.2999 0.9023 0.1479 0.126 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'
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'
S S 0.1246 0.1234 '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
C10 Rh1 C9 38.6(5) . . ?
C10 Rh1 C7 61.6(6) . . ?
C9 Rh1 C7 62.9(7) . . ?
C10 Rh1 C11 37.0(5) . . ?
C9 Rh1 C11 63.3(6) . . ?
C7 Rh1 C11 36.5(5) . . ?
C10 Rh1 C8 63.4(6) . . ?
C9 Rh1 C8 38.0(6) . . ?
C7 Rh1 C8 37.8(5) . . ?
C11 Rh1 C8 62.9(6) . . ?
C10 Rh1 S1 103.8(4) . . ?
C9 Rh1 S1 134.0(6) . . ?
C7 Rh1 S1 133.0(5) . . ?
C11 Rh1 S1 103.9(4) . . ?
C8 Rh1 S1 166.1(4) . . ?
C10 Rh1 S2 169.9(5) . . ?
C9 Rh1 S2 142.3(5) . . ?
C7 Rh1 S2 108.8(5) . . ?
C11 Rh1 S2 133.2(5) . . ?
C8 Rh1 S2 111.8(5) . . ?
S1 Rh1 S2 80.08(14) . . ?
C10 Rh1 C5 115.3(6) . . ?
C9 Rh1 C5 83.8(5) . . ?
C7 Rh1 C5 126.6(6) . . ?
C11 Rh1 C5 147.1(6) . . ?
C8 Rh1 C5 90.4(6) . . ?
S1 Rh1 C5 100.3(4) . . ?
S2 Rh1 C5 72.6(4) . . ?
C10 Rh1 Mo1 130.8(5) . . ?
C9 Rh1 Mo1 119.6(5) . . ?
C7 Rh1 Mo1 164.7(4) . . ?
C11 Rh1 Mo1 158.8(4) . . ?
C8 Rh1 Mo1 133.9(5) . . ?
S1 Rh1 Mo1 57.88(9) . . ?
S2 Rh1 Mo1 59.21(12) . . ?
C5 Rh1 Mo1 43.6(3) . . ?
C17 Rh2 C21 35.7(5) . . ?
C17 Rh2 C20 60.0(6) . . ?
C21 Rh2 C20 37.2(5) . . ?
C17 Rh2 C19 60.9(6) . . ?
C21 Rh2 C19 62.6(6) . . ?
C20 Rh2 C19 37.3(5) . . ?
C17 Rh2 C18 34.8(5) . . ?
C21 Rh2 C18 61.2(6) . . ?
C20 Rh2 C18 62.5(6) . . ?
C19 Rh2 C18 39.1(5) . . ?
C17 Rh2 S3 128.9(4) . . ?
C21 Rh2 S3 162.9(5) . . ?
C20 Rh2 S3 137.9(5) . . ?
C19 Rh2 S3 105.1(5) . . ?
C18 Rh2 S3 101.7(5) . . ?
C17 Rh2 S4 149.2(4) . . ?
C21 Rh2 S4 116.3(5) . . ?
C20 Rh2 S4 106.7(5) . . ?
C19 Rh2 S4 127.0(5) . . ?
C18 Rh2 S4 166.2(4) . . ?
S3 Rh2 S4 80.39(15) . . ?
C17 Rh2 C6 88.3(5) . . ?
C21 Rh2 C6 93.1(6) . . ?
C20 Rh2 C6 128.4(6) . . ?
C19 Rh2 C6 149.2(6) . . ?
C18 Rh2 C6 113.8(6) . . ?
S3 Rh2 C6 93.7(4) . . ?
S4 Rh2 C6 79.5(4) . . ?
C17 Rh2 Mo1 125.2(4) . . ?
C21 Rh2 Mo1 132.5(4) . . ?
C20 Rh2 Mo1 158.7(5) . . ?
C19 Rh2 Mo1 163.3(5) . . ?
C18 Rh2 Mo1 135.2(4) . . ?
S3 Rh2 Mo1 58.46(11) . . ?
S4 Rh2 Mo1 57.47(10) . . ?
C6 Rh2 Mo1 40.6(4) . . ?
C6 Mo1 C5 83.2(6) . . ?
C6 Mo1 S1 79.2(5) . . ?
C5 Mo1 S1 114.3(4) . . ?
C6 Mo1 S4 89.3(5) . . ?
C5 Mo1 S4 149.3(4) . . ?
S1 Mo1 S4 93.25(13) . . ?
C6 Mo1 S3 105.1(5) . . ?
C5 Mo1 S3 79.5(4) . . ?
S1 Mo1 S3 166.12(13) . . ?
S4 Mo1 S3 73.82(13) . . ?
C6 Mo1 S2 138.3(5) . . ?
C5 Mo1 S2 79.3(5) . . ?
S1 Mo1 S2 74.09(14) . . ?
S4 Mo1 S2 123.34(15) . . ?
S3 Mo1 S2 108.50(14) . . ?
C6 Mo1 Rh1 85.1(5) . . ?
C5 Mo1 Rh1 62.9(4) . . ?
S1 Mo1 Rh1 52.83(9) . . ?
S4 Mo1 Rh1 146.07(10) . . ?
S3 Mo1 Rh1 139.85(11) . . ?
S2 Mo1 Rh1 53.22(9) . . ?
C6 Mo1 Rh2 60.5(5) . . ?
C5 Mo1 Rh2 98.5(5) . . ?
S1 Mo1 Rh2 124.18(11) . . ?
S4 Mo1 Rh2 52.70(11) . . ?
S3 Mo1 Rh2 51.45(11) . . ?
S2 Mo1 Rh2 159.53(10) . . ?
Rh1 Mo1 Rh2 143.40(7) . . ?
C1 S1 Rh1 102.6(5) . . ?
C1 S1 Mo1 107.9(4) . . ?
Rh1 S1 Mo1 69.30(10) . . ?
C2 S2 Rh1 102.8(5) . . ?
C2 S2 Mo1 106.3(5) . . ?
Rh1 S2 Mo1 67.56(13) . . ?
C3 S3 Rh2 103.8(5) . . ?
C3 S3 Mo1 105.9(5) . . ?
Rh2 S3 Mo1 70.09(11) . . ?
C4 S4 Rh2 104.7(6) . . ?
C4 S4 Mo1 106.0(5) . . ?
Rh2 S4 Mo1 69.83(11) . . ?
B4 B3 B8 61.6(11) . . ?
B4 B3 C1 59.5(9) . . ?
B8 B3 C1 106.1(13) . . ?
B4 B3 C2 104.2(12) . . ?
B8 B3 C2 103.6(14) . . ?
C1 B3 C2 56.1(8) . . ?
B4 B3 B7 107.8(15) . . ?
B8 B3 B7 58.5(11) . . ?
C1 B3 B7 104.1(12) . . ?
C2 B3 B7 58.4(9) . . ?
B4 B3 H3 121.4 . . ?
B8 B3 H3 122.7 . . ?
C1 B3 H3 124.2 . . ?
C2 B3 H3 125.6 . . ?
B7 B3 H3 123.0 . . ?
B3 B4 C1 61.2(9) . . ?
B3 B4 B8 59.5(10) . . ?
C1 B4 B8 105.8(13) . . ?
B3 B4 B9 107.0(15) . . ?
C1 B4 B9 105.3(15) . . ?
B8 B4 B9 58.2(11) . . ?
B3 B4 B5 107.6(14) . . ?
C1 B4 B5 57.5(10) . . ?
B8 B4 B5 105.5(16) . . ?
B9 B4 B5 60.0(12) . . ?
B3 B4 H4 121.1 . . ?
C1 B4 H4 123.3 . . ?
B8 B4 H4 123.6 . . ?
B9 B4 H4 123.0 . . ?
B5 B4 H4 122.8 . . ?
C1 B5 B6 61.1(11) . . ?
C1 B5 B10 108.9(17) . . ?
B6 B5 B10 60.8(14) . . ?
C1 B5 B9 106.5(15) . . ?
B6 B5 B9 108.3(18) . . ?
B10 B5 B9 60.0(13) . . ?
C1 B5 B4 59.5(10) . . ?
B6 B5 B4 109.6(15) . . ?
B10 B5 B4 109.0(16) . . ?
B9 B5 B4 59.6(11) . . ?
C1 B5 H5 122.0 . . ?
B6 B5 H5 120.5 . . ?
B10 B5 H5 120.9 . . ?
B9 B5 H5 122.7 . . ?
B4 B5 H5 121.2 . . ?
C2 B6 B5 105.9(15) . . ?
C2 B6 B11 59.1(11) . . ?
B5 B6 B11 109.0(17) . . ?
C2 B6 B10 107.1(14) . . ?
B5 B6 B10 59.6(13) . . ?
B11 B6 B10 61.8(13) . . ?
C2 B6 C1 58.1(9) . . ?
B5 B6 C1 59.5(12) . . ?
B11 B6 C1 106.6(14) . . ?
B10 B6 C1 106.7(16) . . ?
C2 B6 H6 123.5 . . ?
B5 B6 H6 122.0 . . ?
B11 B6 H6 121.0 . . ?
B10 B6 H6 121.6 . . ?
C1 B6 H6 123.2 . . ?
B8 B7 B11 108.4(15) . . ?
B8 B7 C2 105.4(13) . . ?
B11 B7 C2 57.8(10) . . ?
B8 B7 B12 60.1(12) . . ?
B11 B7 B12 61.5(12) . . ?
C2 B7 B12 106.2(14) . . ?
B8 B7 B3 59.1(11) . . ?
B11 B7 B3 108.0(13) . . ?
C2 B7 B3 60.1(9) . . ?
B12 B7 B3 108.3(15) . . ?
B8 B7 H7 122.6 . . ?
B11 B7 H7 121.4 . . ?
C2 B7 H7 124.0 . . ?
B12 B7 H7 121.3 . . ?
B3 B7 H7 121.5 . . ?
B9 B8 B7 108.3(16) . . ?
B9 B8 B3 108.9(14) . . ?
B7 B8 B3 62.4(11) . . ?
B9 B8 B12 59.7(12) . . ?
B7 B8 B12 61.1(12) . . ?
B3 B8 B12 111.7(15) . . ?
B9 B8 B4 61.0(11) . . ?
B7 B8 B4 108.8(14) . . ?
B3 B8 B4 58.9(10) . . ?
B12 B8 B4 109.6(14) . . ?
B9 B8 H8 121.8 . . ?
B7 B8 H8 120.8 . . ?
B3 B8 H8 120.1 . . ?
B12 B8 H8 120.0 . . ?
B4 B8 H8 121.6 . . ?
B8 B9 B12 60.8(13) . . ?
B8 B9 B10 108.9(17) . . ?
B12 B9 B10 61.7(13) . . ?
B8 B9 B4 60.9(12) . . ?
B12 B9 B4 110.4(16) . . ?
B10 B9 B4 107.7(16) . . ?
B8 B9 B5 107.9(16) . . ?
B12 B9 B5 108.0(18) . . ?
B10 B9 B5 57.6(12) . . ?
B4 B9 B5 60.4(12) . . ?
B8 B9 H9 121.1 . . ?
B12 B9 H9 120.1 . . ?
B10 B9 H9 122.1 . . ?
B4 B9 H9 120.7 . . ?
B5 B9 H9 122.9 . . ?
B5 B10 B6 59.6(12) . . ?
B5 B10 B9 62.4(13) . . ?
B6 B10 B9 109.3(16) . . ?
B5 B10 B11 106.9(16) . . ?
B6 B10 B11 59.1(12) . . ?
B9 B10 B11 106.9(15) . . ?
B5 B10 B12 109.7(16) . . ?
B6 B10 B12 109.2(15) . . ?
B9 B10 B12 58.8(12) . . ?
B11 B10 B12 60.9(12) . . ?
B5 B10 H10 120.9 . . ?
B6 B10 H10 121.4 . . ?
B9 B10 H10 121.4 . . ?
B11 B10 H10 122.9 . . ?
B12 B10 H10 120.8 . . ?
C2 B11 B6 59.6(10) . . ?
C2 B11 B7 60.9(11) . . ?
B6 B11 B7 109.7(16) . . ?
C2 B11 B10 105.3(15) . . ?
B6 B11 B10 59.0(12) . . ?
B7 B11 B10 107.5(15) . . ?
C2 B11 B12 107.4(15) . . ?
B6 B11 B12 108.4(17) . . ?
B7 B11 B12 59.9(12) . . ?
B10 B11 B12 59.9(12) . . ?
C2 B11 H11 122.7 . . ?
B6 B11 H11 121.2 . . ?
B7 B11 H11 120.7 . . ?
B10 B11 H11 123.3 . . ?
B12 B11 H11 121.7 . . ?
B9 B12 B8 59.5(12) . . ?
B9 B12 B7 106.3(17) . . ?
B8 B12 B7 58.8(11) . . ?
B9 B12 B10 59.5(13) . . ?
B8 B12 B10 106.1(17) . . ?
B7 B12 B10 106.0(16) . . ?
B9 B12 B11 106.2(17) . . ?
B8 B12 B11 105.1(16) . . ?
B7 B12 B11 58.6(12) . . ?
B10 B12 B11 59.2(12) . . ?
B9 B12 H12 122.4 . . ?
B8 B12 H12 123.2 . . ?
B7 B12 H12 123.1 . . ?
B10 B12 H12 122.7 . . ?
B11 B12 H12 123.4 . . ?
C3 B13 C4 59.4(10) . . ?
C3 B13 B17 107.7(15) . . ?
C4 B13 B17 58.5(11) . . ?
C3 B13 B18 107.7(14) . . ?
C4 B13 B18 107.8(14) . . ?
B17 B13 B18 62.8(11) . . ?
C3 B13 B14 58.1(10) . . ?
C4 B13 B14 106.4(14) . . ?
B17 B13 B14 111.6(13) . . ?
B18 B13 B14 61.9(11) . . ?
C3 B13 H13 123.1 . . ?
C4 B13 H13 123.5 . . ?
B17 B13 H13 120.0 . . ?
B18 B13 H13 120.3 . . ?
B14 B13 H13 121.1 . . ?
C3 B14 B15 60.0(10) . . ?
C3 B14 B13 57.9(10) . . ?
B15 B14 B13 107.6(14) . . ?
C3 B14 B19 104.2(14) . . ?
B15 B14 B19 59.3(12) . . ?
B13 B14 B19 105.7(14) . . ?
C3 B14 B18 104.8(14) . . ?
B15 B14 B18 109.7(15) . . ?
B13 B14 B18 58.4(11) . . ?
B19 B14 B18 61.2(12) . . ?
C3 B14 H14 124.6 . . ?
B15 B14 H14 120.6 . . ?
B13 B14 H14 123.4 . . ?
B19 B14 H14 123.2 . . ?
B18 B14 H14 121.6 . . ?
C3 B15 B14 58.0(10) . . ?
C3 B15 B19 104.5(15) . . ?
B14 B15 B19 61.6(12) . . ?
C3 B15 B20 104.2(13) . . ?
B14 B15 B20 107.0(16) . . ?
B19 B15 B20 57.1(12) . . ?
C3 B15 B16 62.0(9) . . ?
B14 B15 B16 110.2(14) . . ?
B19 B15 B16 105.6(14) . . ?
B20 B15 B16 58.0(10) . . ?
C3 B15 H15 123.8 . . ?
B14 B15 H15 120.4 . . ?
B19 B15 H15 123.7 . . ?
B20 B15 H15 124.7 . . ?
B16 B15 H15 120.8 . . ?
C4 B16 B20 102.8(15) . . ?
C4 B16 B21 56.4(10) . . ?
B20 B16 B21 60.9(12) . . ?
C4 B16 C3 55.8(8) . . ?
B20 B16 C3 101.6(14) . . ?
B21 B16 C3 101.1(13) . . ?
C4 B16 B15 101.9(13) . . ?
B20 B16 B15 60.6(11) . . ?
B21 B16 B15 107.9(15) . . ?
C3 B16 B15 55.9(9) . . ?
C4 B16 H16 126.5 . . ?
B20 B16 H16 123.2 . . ?
B21 B16 H16 122.9 . . ?
C3 B16 H16 127.6 . . ?
B15 B16 H16 122.8 . . ?
C4 B17 B21 58.7(11) . . ?
C4 B17 B13 59.7(11) . . ?
B21 B17 B13 108.1(16) . . ?
C4 B17 B22 102.1(17) . . ?
B21 B17 B22 57.9(13) . . ?
B13 B17 B22 105.3(15) . . ?
C4 B17 B18 105.5(14) . . ?
B21 B17 B18 108.6(16) . . ?
B13 B17 B18 58.7(10) . . ?
B22 B17 B18 60.7(12) . . ?
C4 B17 H17 124.7 . . ?
B21 B17 H17 121.5 . . ?
B13 B17 H17 122.2 . . ?
B22 B17 H17 124.7 . . ?
B18 B17 H17 121.5 . . ?
B13 B18 B14 59.7(11) . . ?
B13 B18 B17 58.5(11) . . ?
B14 B18 B17 106.5(15) . . ?
B13 B18 B22 103.6(15) . . ?
B14 B18 B22 104.3(16) . . ?
B17 B18 B22 58.7(12) . . ?
B13 B18 B19 104.7(16) . . ?
B14 B18 B19 58.7(12) . . ?
B17 B18 B19 105.1(16) . . ?
B22 B18 B19 57.7(12) . . ?
B13 B18 H18 123.8 . . ?
B14 B18 H18 122.7 . . ?
B17 B18 H18 122.8 . . ?
B22 B18 H18 124.7 . . ?
B19 B18 H18 123.9 . . ?
B20 B19 B15 63.4(13) . . ?
B20 B19 B22 58.4(13) . . ?
B15 B19 B22 108.8(17) . . ?
B20 B19 B14 110.0(16) . . ?
B15 B19 B14 59.1(11) . . ?
B22 B19 B14 108.0(14) . . ?
B20 B19 B18 109.2(16) . . ?
B15 B19 B18 108.6(14) . . ?
B22 B19 B18 60.9(13) . . ?
B14 B19 B18 60.1(12) . . ?
B20 B19 H19 120.2 . . ?
B15 B19 H19 120.7 . . ?
B22 B19 H19 122.2 . . ?
B14 B19 H19 121.8 . . ?
B18 B19 H19 121.1 . . ?
B22 B20 B19 62.6(14) . . ?
B22 B20 B16 108.8(16) . . ?
B19 B20 B16 110.4(15) . . ?
B22 B20 B21 58.4(13) . . ?
B19 B20 B21 109.0(17) . . ?
B16 B20 B21 60.5(11) . . ?
B22 B20 B15 108.9(17) . . ?
B19 B20 B15 59.5(12) . . ?
B16 B20 B15 61.3(11) . . ?
B21 B20 B15 108.1(13) . . ?
B22 B20 H20 121.2 . . ?
B19 B20 H20 120.1 . . ?
B16 B20 H20 120.3 . . ?
B21 B20 H20 122.3 . . ?
B15 B20 H20 121.6 . . ?
C4 B21 B22 105.9(15) . . ?
C4 B21 B17 59.2(10) . . ?
B22 B21 B17 62.4(13) . . ?
C4 B21 B16 60.6(10) . . ?
B22 B21 B16 106.5(16) . . ?
B17 B21 B16 110.4(14) . . ?
C4 B21 B20 104.2(14) . . ?
B22 B21 B20 57.5(12) . . ?
B17 B21 B20 108.1(15) . . ?
B16 B21 B20 58.6(11) . . ?
C4 B21 H21 123.8 . . ?
B22 B21 H21 122.7 . . ?
B17 B21 H21 119.5 . . ?
B16 B21 H21 121.1 . . ?
B20 B21 H21 124.3 . . ?
B20 B22 B21 64.2(15) . . ?
B20 B22 B19 58.9(13) . . ?
B21 B22 B19 110.7(19) . . ?
B20 B22 B17 111.1(18) . . ?
B21 B22 B17 59.7(11) . . ?
B19 B22 B17 109.5(15) . . ?
B20 B22 B18 110.0(18) . . ?
B21 B22 B18 109.9(14) . . ?
B19 B22 B18 61.4(13) . . ?
B17 B22 B18 60.6(11) . . ?
B20 B22 H22 119.6 . . ?
B21 B22 H22 119.5 . . ?
B19 B22 H22 121.1 . . ?
B17 B22 H22 121.0 . . ?
B18 B22 H22 120.6 . . ?
C2 C1 B5 107.3(14) . . ?
C2 C1 B6 59.9(10) . . ?
B5 C1 B6 59.5(12) . . ?
C2 C1 B4 108.9(12) . . ?
B5 C1 B4 62.9(11) . . ?
B6 C1 B4 111.0(13) . . ?
C2 C1 B3 62.2(8) . . ?
B5 C1 B3 110.4(13) . . ?
B6 C1 B3 111.5(12) . . ?
B4 C1 B3 59.3(9) . . ?
C2 C1 S1 114.9(9) . . ?
B5 C1 S1 128.1(12) . . ?
B6 C1 S1 120.2(11) . . ?
B4 C1 S1 124.0(12) . . ?
B3 C1 S1 115.1(10) . . ?
C1 C2 B11 111.5(12) . . ?
C1 C2 B6 61.9(10) . . ?
B11 C2 B6 61.3(11) . . ?
C1 C2 B7 111.1(11) . . ?
B11 C2 B7 61.3(11) . . ?
B6 C2 B7 111.4(14) . . ?
C1 C2 B3 61.7(8) . . ?
B11 C2 B3 112.1(13) . . ?
B6 C2 B3 112.7(12) . . ?
B7 C2 B3 61.5(10) . . ?
C1 C2 S2 111.1(10) . . ?
B11 C2 S2 126.8(12) . . ?
B6 C2 S2 116.9(11) . . ?
B7 C2 S2 126.4(11) . . ?
B3 C2 S2 115.4(10) . . ?
C4 C3 B13 61.6(10) . . ?
C4 C3 B14 112.9(13) . . ?
B13 C3 B14 64.1(11) . . ?
C4 C3 B15 110.6(11) . . ?
B13 C3 B15 114.2(13) . . ?
B14 C3 B15 62.0(11) . . ?
C4 C3 B16 60.2(9) . . ?
B13 C3 B16 112.7(12) . . ?
B14 C3 B16 113.5(12) . . ?
B15 C3 B16 62.1(9) . . ?
C4 C3 S3 113.1(9) . . ?
B13 C3 S3 116.4(10) . . ?
B14 C3 S3 124.7(11) . . ?
B15 C3 S3 124.1(12) . . ?
B16 C3 S3 115.1(11) . . ?
C3 C4 B21 112.7(12) . . ?
C3 C4 B17 110.2(12) . . ?
B21 C4 B17 62.1(11) . . ?
C3 C4 B13 59.1(9) . . ?
B21 C4 B13 112.5(13) . . ?
B17 C4 B13 61.8(10) . . ?
C3 C4 B16 64.0(9) . . ?
B21 C4 B16 63.0(10) . . ?
B17 C4 B16 114.8(13) . . ?
B13 C4 B16 113.8(12) . . ?
C3 C4 S4 110.7(10) . . ?
B21 C4 S4 124.4(11) . . ?
B17 C4 S4 128.7(12) . . ?
B13 C4 S4 119.0(10) . . ?
B16 C4 S4 110.2(12) . . ?
O1 C5 Mo1 164.7(13) . . ?
O1 C5 Rh1 121.9(11) . . ?
Mo1 C5 Rh1 73.5(5) . . ?
O2 C6 Mo1 168.0(14) . . ?
O2 C6 Rh2 112.8(11) . . ?
Mo1 C6 Rh2 78.9(6) . . ?
C11 C7 C8 110.3(17) . . ?
C11 C7 C12 128.8(18) . . ?
C8 C7 C12 120.8(17) . . ?
C11 C7 Rh1 71.9(9) . . ?
C8 C7 Rh1 71.8(8) . . ?
C12 C7 Rh1 124.3(10) . . ?
C7 C8 C9 106.1(15) . . ?
C7 C8 C13 128(2) . . ?
C9 C8 C13 125.4(19) . . ?
C7 C8 Rh1 70.4(8) . . ?
C9 C8 Rh1 70.0(8) . . ?
C13 C8 Rh1 130.0(10) . . ?
C10 C9 C8 106.2(16) . . ?
C10 C9 C14 126.1(18) . . ?
C8 C9 C14 126.7(16) . . ?
C10 C9 Rh1 69.5(8) . . ?
C8 C9 Rh1 71.9(9) . . ?
C14 C9 Rh1 132.4(11) . . ?
C11 C10 C9 109.6(15) . . ?
C11 C10 C15 126.2(15) . . ?
C9 C10 C15 124.0(18) . . ?
C11 C10 Rh1 73.2(9) . . ?
C9 C10 Rh1 71.9(8) . . ?
C15 C10 Rh1 125.7(10) . . ?
C7 C11 C10 107.8(15) . . ?
C7 C11 C16 128.0(19) . . ?
C10 C11 C16 123.9(15) . . ?
C7 C11 Rh1 71.6(9) . . ?
C10 C11 Rh1 69.8(8) . . ?
C16 C11 Rh1 128.9(10) . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
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 . . ?
C18 C17 C21 115.3(17) . . ?
C18 C17 C22 121.3(15) . . ?
C21 C17 C22 122.8(15) . . ?
C18 C17 Rh2 73.7(12) . . ?
C21 C17 Rh2 73.1(11) . . ?
C22 C17 Rh2 129.6(11) . . ?
C17 C18 C19 105.4(16) . . ?
C17 C18 C23 133.7(17) . . ?
C19 C18 C23 120.8(16) . . ?
C17 C18 Rh2 71.4(12) . . ?
C19 C18 Rh2 70.5(10) . . ?
C23 C18 Rh2 124.0(13) . . ?
C20 C19 C18 104.7(15) . . ?
C20 C19 C24 130.8(16) . . ?
C18 C19 C24 123.4(15) . . ?
C20 C19 Rh2 71.1(10) . . ?
C18 C19 Rh2 70.3(10) . . ?
C24 C19 Rh2 131.3(13) . . ?
C21 C20 C19 109.0(15) . . ?
C21 C20 C25 125.3(16) . . ?
C19 C20 C25 125.7(17) . . ?
C21 C20 Rh2 71.4(10) . . ?
C19 C20 Rh2 71.6(10) . . ?
C25 C20 Rh2 123.4(13) . . ?
C17 C21 C20 105.5(16) . . ?
C17 C21 C26 132.0(16) . . ?
C20 C21 C26 122.0(15) . . ?
C17 C21 Rh2 71.2(11) . . ?
C20 C21 Rh2 71.4(10) . . ?
C26 C21 Rh2 128.2(12) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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 . . ?
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
Rh1 C10 2.160(14) . ?
Rh1 C9 2.193(15) . ?
Rh1 C7 2.199(15) . ?
Rh1 C11 2.203(14) . ?
Rh1 C8 2.218(13) . ?
Rh1 S1 2.347(4) . ?
Rh1 S2 2.387(4) . ?
Rh1 C5 2.559(14) . ?
Rh1 Mo1 2.755(2) . ?
Rh2 C17 2.172(19) . ?
Rh2 C21 2.195(17) . ?
Rh2 C20 2.195(17) . ?
Rh2 C19 2.201(16) . ?
Rh2 C18 2.199(18) . ?
Rh2 S3 2.331(4) . ?
Rh2 S4 2.375(5) . ?
Rh2 C6 2.485(16) . ?
Rh2 Mo1 2.803(2) . ?
Mo1 C6 1.857(18) . ?
Mo1 C5 1.982(15) . ?
Mo1 S1 2.494(4) . ?
Mo1 S4 2.517(4) . ?
Mo1 S3 2.541(4) . ?
Mo1 S2 2.560(5) . ?
S1 C1 1.760(15) . ?
S2 C2 1.803(14) . ?
S3 C3 1.829(14) . ?
S4 C4 1.839(15) . ?
O1 C5 1.153(15) . ?
O2 C6 1.212(16) . ?
B3 B4 1.72(2) . ?
B3 B8 1.73(3) . ?
B3 C1 1.754(19) . ?
B3 C2 1.76(2) . ?
B3 B7 1.79(3) . ?
B3 H3 1.1000 . ?
B4 C1 1.73(2) . ?
B4 B8 1.77(3) . ?
B4 B9 1.77(3) . ?
B4 B5 1.78(3) . ?
B4 H4 1.1000 . ?
B5 C1 1.69(2) . ?
B5 B6 1.69(3) . ?
B5 B10 1.69(3) . ?
B5 B9 1.78(3) . ?
B5 H5 1.1000 . ?
B6 C2 1.68(2) . ?
B6 B11 1.71(3) . ?
B6 B10 1.71(3) . ?
B6 C1 1.72(2) . ?
B6 H6 1.1000 . ?
B7 B8 1.72(3) . ?
B7 B11 1.74(3) . ?
B7 C2 1.73(2) . ?
B7 B12 1.76(3) . ?
B7 H7 1.1000 . ?
B8 B9 1.72(3) . ?
B8 B12 1.74(3) . ?
B8 H8 1.1000 . ?
B9 B12 1.72(3) . ?
B9 B10 1.73(3) . ?
B9 H9 1.1000 . ?
B10 B11 1.76(3) . ?
B10 B12 1.77(3) . ?
B10 H10 1.1000 . ?
B11 C2 1.67(2) . ?
B11 B12 1.79(3) . ?
B11 H11 1.1000 . ?
B12 H12 1.1000 . ?
B13 C3 1.66(2) . ?
B13 C4 1.70(2) . ?
B13 B17 1.74(2) . ?
B13 B18 1.74(2) . ?
B13 B14 1.77(3) . ?
B13 H13 1.1000 . ?
B14 C3 1.67(2) . ?
B14 B15 1.73(3) . ?
B14 B19 1.78(3) . ?
B14 B18 1.80(3) . ?
B14 H14 1.1000 . ?
B15 C3 1.70(2) . ?
B15 B19 1.74(3) . ?
B15 B20 1.80(3) . ?
B15 B16 1.82(3) . ?
B15 H15 1.1000 . ?
B16 C4 1.75(2) . ?
B16 B20 1.75(3) . ?
B16 B21 1.79(3) . ?
B16 C3 1.81(2) . ?
B16 H16 1.1000 . ?
B17 C4 1.68(2) . ?
B17 B21 1.73(3) . ?
B17 B22 1.78(3) . ?
B17 B18 1.81(3) . ?
B17 H17 1.1000 . ?
B18 B22 1.82(3) . ?
B18 B19 1.82(3) . ?
B18 H18 1.1000 . ?
B19 B20 1.69(3) . ?
B19 B22 1.75(3) . ?
B19 H19 1.1000 . ?
B20 B22 1.68(3) . ?
B20 B21 1.80(3) . ?
B20 H20 1.1000 . ?
B21 C4 1.67(2) . ?
B21 B22 1.70(3) . ?
B21 H21 1.1000 . ?
B22 H22 1.1000 . ?
C1 C2 1.653(18) . ?
C3 C4 1.668(19) . ?
C7 C11 1.38(2) . ?
C7 C8 1.43(2) . ?
C7 C12 1.481(19) . ?
C8 C9 1.44(2) . ?
C8 C13 1.461(18) . ?
C9 C10 1.439(19) . ?
C9 C14 1.482(19) . ?
C10 C11 1.39(2) . ?
C10 C15 1.523(19) . ?
C11 C16 1.515(19) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.31(2) . ?
C17 C21 1.340(19) . ?
C17 C22 1.56(2) . ?
C18 C19 1.47(2) . ?
C18 C23 1.50(2) . ?
C19 C20 1.40(2) . ?
C19 C24 1.57(2) . ?
C20 C21 1.40(2) . ?
C20 C25 1.55(2) . ?
C21 C26 1.54(2) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
