#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:40:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179341 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/38/4323891.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_4323891
loop_
_publ_author_name
'Jae-Hak Kim'
'Eunkee Hong'
'Jinkwon Kim'
'Youngkyu Do'
_publ_section_title
;
 Oxidation of Tricarbonylmolybdacarborane. 1. First Examples of
 Oxomolybda(VI)carboranes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5112
_journal_page_last               5113
_journal_paper_doi               10.1021/ic960223j
_journal_volume                  35
_journal_year                    1996
_chemical_formula_analytical     'C48 H60 B18 Mo2 O5 P2'
_chemical_formula_sum            'C48 H60 B18 Mo2 O5 P2'
_chemical_formula_weight         1165.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                103.880(10)
_cell_angle_beta                 96.61(2)
_cell_angle_gamma                100.84(2)
_cell_formula_units_Z            1
_cell_length_a                   10.059(2)
_cell_length_b                   10.701(2)
_cell_length_c                   13.3998(14)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.27
_cell_measurement_theta_min      9.46
_cell_volume                     1355.7(4)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_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  0.0131
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3209
_diffrn_reflns_theta_max         21.98
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  7200
_exptl_absorpt_coefficient_mu    0.567
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.218
_refine_diff_density_min         -0.288
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.082
_refine_ls_goodness_of_fit_obs   1.107
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         3053
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_restrained_S_obs      1.107
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_obs          0.0285
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0310P)²+0.8211P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0691
_refine_ls_wR_factor_obs         0.0662
_reflns_number_observed          2718
_reflns_number_total             3053
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic960223j_3.cif
_cod_data_source_block           cb2mo2o5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+0.8211P] 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^)+(0.0310P)^2^+0.8211P] 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        1355.8(3)
_cod_database_code               4323891
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mo3 Mo 0.62068(4) 0.10968(3) 0.61898(3) 0.04648(13) Uani 1 d . .
O1 O 0.5404(3) 0.2343(3) 0.6597(2) 0.0772(9) Uani 1 d . .
O2 O 0.7522(3) 0.1795(3) 0.5689(3) 0.0903(11) Uani 1 d . .
O3 O 0.5000 0.0000 0.5000 0.0857(14) Uani 1 d S .
C1 C 0.5300(4) -0.0909(4) 0.6817(3) 0.0455(9) Uani 1 d . .
H1 H 0.4346 -0.1333 0.6249 0.055 Uiso 1 calc . .
C2 C 0.5398(4) 0.0364(4) 0.7739(3) 0.0475(9) Uani 1 d . .
H2 H 0.4514 0.0824 0.7836 0.057 Uiso 1 calc . .
B4 B 0.6808(5) -0.0988(4) 0.6452(3) 0.0454(11) Uani 1 d . .
H4 H 0.6921 -0.1480 0.5655 0.055 Uiso 1 calc . .
B5 B 0.6156(5) -0.2000(4) 0.7213(3) 0.0490(11) Uani 1 d . .
H5 H 0.5854 -0.3083 0.6917 0.059 Uiso 1 calc . .
B6 B 0.5215(5) -0.1115(4) 0.8044(4) 0.0496(11) Uani 1 d . .
H6 H 0.4302 -0.1610 0.8294 0.059 Uiso 1 calc . .
B7 B 0.7022(4) 0.1274(4) 0.8033(3) 0.0451(11) Uani 1 d . .
H7 H 0.7291 0.2355 0.8343 0.054 Uiso 1 calc . .
B8 B 0.7987(4) 0.0376(4) 0.7232(4) 0.0499(11) Uani 1 d . .
H8 H 0.8944 0.0816 0.7002 0.060 Uiso 1 calc . .
B9 B 0.7871(5) -0.1158(4) 0.7513(4) 0.0553(12) Uani 1 d . .
H9 H 0.8704 -0.1690 0.7429 0.066 Uiso 1 calc . .
B10 B 0.6880(5) -0.1208(5) 0.8526(3) 0.0544(12) Uani 1 d . .
H10 H 0.7068 -0.1756 0.9106 0.065 Uiso 1 calc . .
B11 B 0.6366(5) 0.0310(5) 0.8851(3) 0.0548(12) Uani 1 d . .
H11 H 0.6215 0.0763 0.9645 0.066 Uiso 1 calc . .
B12 B 0.8017(5) 0.0291(5) 0.8524(4) 0.0564(12) Uani 1 d . .
H12 H 0.8952 0.0727 0.9111 0.068 Uiso 1 calc . .
P1 P 0.23468(9) 0.40707(8) 0.73116(6) 0.0328(2) Uani 1 d . .
C11 C 0.2058(3) 0.2387(3) 0.7372(2) 0.0336(8) Uani 1 d . .
C12 C 0.1956(4) 0.1379(3) 0.6475(3) 0.0411(9) Uani 1 d . .
H12 H 0.2018 0.1573 0.5840 0.049 Uiso 1 calc . .
C13 C 0.1761(4) 0.0087(3) 0.6529(3) 0.0483(10) Uani 1 d . .
H13 H 0.1680 -0.0592 0.5929 0.058 Uiso 1 calc . .
C14 C 0.1687(4) -0.0191(3) 0.7472(3) 0.0488(10) Uani 1 d . .
H14 H 0.1555 -0.1063 0.7506 0.059 Uiso 1 calc . .
C15 C 0.1807(4) 0.0806(4) 0.8372(3) 0.0464(9) Uani 1 d . .
H15 H 0.1768 0.0610 0.9009 0.056 Uiso 1 calc . .
C16 C 0.1984(3) 0.2086(3) 0.8317(3) 0.0400(8) Uani 1 d . .
H16 H 0.2056 0.2760 0.8920 0.048 Uiso 1 calc . .
C21 C 0.2002(3) 0.4144(3) 0.5984(2) 0.0361(8) Uani 1 d . .
C22 C 0.2942(4) 0.4884(4) 0.5556(3) 0.0511(10) Uani 1 d . .
H22 H 0.3802 0.5318 0.5946 0.061 Uiso 1 calc . .
C23 C 0.2611(5) 0.4981(4) 0.4554(3) 0.0622(12) Uani 1 d . .
H23 H 0.3238 0.5496 0.4274 0.075 Uiso 1 calc . .
C24 C 0.1363(6) 0.4320(4) 0.3975(3) 0.0638(12) Uani 1 d . .
H24 H 0.1147 0.4370 0.3294 0.077 Uiso 1 calc . .
C25 C 0.0423(5) 0.3582(4) 0.4390(3) 0.0595(12) Uani 1 d . .
H25 H -0.0426 0.3137 0.3987 0.071 Uiso 1 calc . .
C26 C 0.0717(4) 0.3491(3) 0.5394(3) 0.0466(9) Uani 1 d . .
H26 H 0.0070 0.3000 0.5676 0.056 Uiso 1 calc . .
C31 C 0.1231(3) 0.4915(3) 0.8034(2) 0.0328(8) Uani 1 d . .
C32 C 0.1537(4) 0.6294(3) 0.8328(3) 0.0438(9) Uani 1 d . .
H32 H 0.2343 0.6757 0.8189 0.053 Uiso 1 calc . .
C33 C 0.0669(5) 0.6973(4) 0.8819(3) 0.0538(10) Uani 1 d . .
H33 H 0.0892 0.7891 0.9023 0.065 Uiso 1 calc . .
C34 C -0.0523(5) 0.6305(4) 0.9009(3) 0.0575(11) Uani 1 d . .
H34 H -0.1116 0.6770 0.9338 0.069 Uiso 1 calc . .
C35 C -0.0859(4) 0.4949(4) 0.8718(3) 0.0595(11) Uani 1 d . .
H35 H -0.1677 0.4501 0.8850 0.071 Uiso 1 calc . .
C36 C 0.0013(4) 0.4248(3) 0.8232(3) 0.0438(9) Uani 1 d . .
H36 H -0.0215 0.3329 0.8038 0.053 Uiso 1 calc . .
C40 C 0.4123(3) 0.4913(3) 0.7836(2) 0.0382(8) Uani 1 d . .
H40A H 0.4711 0.4473 0.7416 0.046 Uiso 1 calc . .
H40B H 0.4257 0.5810 0.7771 0.046 Uiso 1 calc . .
C41 C 0.4573(3) 0.4963(3) 0.8962(2) 0.0317(8) Uani 1 d . .
C42 C 0.5099(4) 0.3952(3) 0.9214(3) 0.0430(9) Uani 1 d . .
H42 H 0.5171 0.3238 0.8685 0.052 Uiso 1 calc . .
C46 C 0.5516(4) 0.3988(3) 1.0234(3) 0.0422(9) Uani 1 d . .
H46 H 0.5863 0.3296 1.0387 0.051 Uiso 1 calc . .
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'
P P 0.1023 0.0942 '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'
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
O2 Mo3 O1 103.9(2) . . ?
O2 Mo3 O3 102.91(12) . . ?
O1 Mo3 O3 103.39(11) . . ?
O2 Mo3 B7 108.5(2) . . ?
O1 Mo3 B7 88.28(14) . . ?
O3 Mo3 B7 142.65(10) . . ?
O2 Mo3 B8 85.2(2) . . ?
O1 Mo3 B8 128.01(15) . . ?
O3 Mo3 B8 124.61(10) . . ?
B7 Mo3 B8 41.74(13) . . ?
O2 Mo3 B4 104.6(2) . . ?
O1 Mo3 B4 147.29(14) . . ?
O3 Mo3 B4 85.68(10) . . ?
B7 Mo3 B4 67.52(13) . . ?
B8 Mo3 B4 40.25(14) . . ?
O2 Mo3 C1 142.87(15) . . ?
O1 Mo3 C1 111.99(13) . . ?
O3 Mo3 C1 78.36(8) . . ?
B7 Mo3 C1 64.43(12) . . ?
B8 Mo3 C1 65.42(13) . . ?
B4 Mo3 C1 38.32(12) . . ?
O2 Mo3 C2 147.5(2) . . ?
O1 Mo3 C2 83.21(13) . . ?
O3 Mo3 C2 106.20(9) . . ?
B7 Mo3 C2 39.24(12) . . ?
B8 Mo3 C2 66.47(13) . . ?
B4 Mo3 C2 64.10(12) . . ?
C1 Mo3 C2 36.21(11) . . ?
Mo3 O3 Mo3 180.0 2_656 . ?
C2 C1 B4 112.0(3) . . ?
C2 C1 B5 111.7(3) . . ?
B4 C1 B5 62.4(2) . . ?
C2 C1 B6 62.2(2) . . ?
B4 C1 B6 113.5(3) . . ?
B5 C1 B6 61.6(2) . . ?
C2 C1 Mo3 72.3(2) . . ?
B4 C1 Mo3 69.9(2) . . ?
B5 C1 Mo3 129.8(2) . . ?
B6 C1 Mo3 132.2(2) . . ?
C1 C2 B7 109.3(3) . . ?
C1 C2 B11 111.4(3) . . ?
B7 C2 B11 63.2(3) . . ?
C1 C2 B6 62.8(2) . . ?
B7 C2 B6 114.1(3) . . ?
B11 C2 B6 62.0(3) . . ?
C1 C2 Mo3 71.4(2) . . ?
B7 C2 Mo3 67.4(2) . . ?
B11 C2 Mo3 128.3(2) . . ?
B6 C2 Mo3 131.9(2) . . ?
C1 B4 B8 107.2(3) . . ?
C1 B4 B9 106.7(3) . . ?
B8 B4 B9 60.9(3) . . ?
C1 B4 B5 60.5(2) . . ?
B8 B4 B5 109.8(3) . . ?
B9 B4 B5 59.8(3) . . ?
C1 B4 Mo3 71.8(2) . . ?
B8 B4 Mo3 69.3(2) . . ?
B9 B4 Mo3 127.3(2) . . ?
B5 B4 Mo3 129.9(3) . . ?
C1 B5 B9 104.1(3) . . ?
C1 B5 B4 57.1(2) . . ?
B9 B5 B4 60.0(3) . . ?
C1 B5 B10 104.5(3) . . ?
B9 B5 B10 61.1(3) . . ?
B4 B5 B10 107.9(3) . . ?
C1 B5 B6 59.2(2) . . ?
B9 B5 B6 108.8(3) . . ?
B4 B5 B6 107.1(3) . . ?
B10 B5 B6 59.7(3) . . ?
C2 B6 C1 55.0(2) . . ?
C2 B6 B10 105.4(3) . . ?
C1 B6 B10 104.8(3) . . ?
C2 B6 B11 58.8(2) . . ?
C1 B6 B11 102.6(3) . . ?
B10 B6 B11 60.4(3) . . ?
C2 B6 B5 103.9(3) . . ?
C1 B6 B5 59.2(2) . . ?
B10 B6 B5 60.1(3) . . ?
B11 B6 B5 107.5(3) . . ?
C2 B7 B8 106.5(3) . . ?
C2 B7 B12 105.3(3) . . ?
B8 B7 B12 59.5(3) . . ?
C2 B7 B11 58.9(2) . . ?
B8 B7 B11 108.1(3) . . ?
B12 B7 B11 59.9(3) . . ?
C2 B7 Mo3 73.3(2) . . ?
B8 B7 Mo3 70.1(2) . . ?
B12 B7 Mo3 127.1(3) . . ?
B11 B7 Mo3 129.8(3) . . ?
B4 B8 B12 107.3(3) . . ?
B4 B8 B9 60.2(3) . . ?
B12 B8 B9 60.4(3) . . ?
B4 B8 B7 104.8(3) . . ?
B12 B8 B7 60.3(3) . . ?
B9 B8 B7 107.8(3) . . ?
B4 B8 Mo3 70.4(2) . . ?
B12 B8 Mo3 126.0(3) . . ?
B9 B8 Mo3 127.7(3) . . ?
B7 B8 Mo3 68.2(2) . . ?
B5 B9 B4 60.2(3) . . ?
B5 B9 B8 108.5(3) . . ?
B4 B9 B8 58.9(2) . . ?
B5 B9 B12 108.0(3) . . ?
B4 B9 B12 105.7(3) . . ?
B8 B9 B12 59.7(3) . . ?
B5 B9 B10 60.0(3) . . ?
B4 B9 B10 107.3(3) . . ?
B8 B9 B10 108.8(3) . . ?
B12 B9 B10 60.5(3) . . ?
B6 B10 B5 60.2(3) . . ?
B6 B10 B11 59.9(3) . . ?
B5 B10 B11 107.2(3) . . ?
B6 B10 B9 107.4(3) . . ?
B5 B10 B9 58.9(3) . . ?
B11 B10 B9 107.1(3) . . ?
B6 B10 B12 107.4(3) . . ?
B5 B10 B12 106.2(3) . . ?
B11 B10 B12 59.6(3) . . ?
B9 B10 B12 59.4(3) . . ?
C2 B11 B6 59.2(2) . . ?
C2 B11 B10 105.2(3) . . ?
B6 B11 B10 59.7(3) . . ?
C2 B11 B12 104.5(3) . . ?
B6 B11 B12 108.1(3) . . ?
B10 B11 B12 60.7(3) . . ?
C2 B11 B7 57.9(2) . . ?
B6 B11 B7 107.4(3) . . ?
B10 B11 B7 108.2(3) . . ?
B12 B11 B7 59.8(3) . . ?
B8 B12 B7 60.2(3) . . ?
B8 B12 B9 59.9(3) . . ?
B7 B12 B9 107.2(3) . . ?
B8 B12 B11 109.0(3) . . ?
B7 B12 B11 60.3(3) . . ?
B9 B12 B11 107.6(3) . . ?
B8 B12 B10 108.6(3) . . ?
B7 B12 B10 107.7(3) . . ?
B9 B12 B10 60.1(3) . . ?
B11 B12 B10 59.6(3) . . ?
C11 P1 C31 110.19(15) . . ?
C11 P1 C21 110.4(2) . . ?
C31 P1 C21 108.24(15) . . ?
C11 P1 C40 110.5(2) . . ?
C31 P1 C40 109.6(2) . . ?
C21 P1 C40 107.8(2) . . ?
C16 C11 C12 119.5(3) . . ?
C16 C11 P1 120.4(2) . . ?
C12 C11 P1 120.0(2) . . ?
C13 C12 C11 119.8(3) . . ?
C14 C13 C12 119.8(3) . . ?
C13 C14 C15 120.9(3) . . ?
C16 C15 C14 119.4(3) . . ?
C15 C16 C11 120.6(3) . . ?
C22 C21 C26 119.6(3) . . ?
C22 C21 P1 121.9(3) . . ?
C26 C21 P1 118.4(3) . . ?
C23 C22 C21 120.3(4) . . ?
C24 C23 C22 119.8(4) . . ?
C23 C24 C25 120.4(4) . . ?
C24 C25 C26 120.9(4) . . ?
C25 C26 C21 118.9(4) . . ?
C36 C31 C32 118.6(3) . . ?
C36 C31 P1 122.1(2) . . ?
C32 C31 P1 119.1(3) . . ?
C33 C32 C31 120.8(3) . . ?
C34 C33 C32 120.0(3) . . ?
C33 C34 C35 120.5(3) . . ?
C34 C35 C36 120.3(4) . . ?
C35 C36 C31 119.8(3) . . ?
C41 C40 P1 114.5(2) . . ?
C46 C41 C42 118.2(3) 2_667 . ?
C46 C41 C40 121.5(3) 2_667 . ?
C42 C41 C40 120.3(3) . . ?
C46 C42 C41 120.9(3) . . ?
C42 C46 C41 120.9(3) . 2_667 ?
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
Mo3 O2 1.683(3) . ?
Mo3 O1 1.698(3) . ?
Mo3 O3 1.8745(6) . ?
Mo3 B7 2.461(5) . ?
Mo3 B8 2.492(5) . ?
Mo3 B4 2.511(4) . ?
Mo3 C1 2.540(3) . ?
Mo3 C2 2.553(4) . ?
O3 Mo3 1.8745(6) 2_656 ?
C1 C2 1.583(5) . ?
C1 B4 1.658(5) . ?
C1 B5 1.720(6) . ?
C1 B6 1.720(5) . ?
C2 B7 1.686(5) . ?
C2 B11 1.703(6) . ?
C2 B6 1.710(5) . ?
B4 B8 1.721(6) . ?
B4 B9 1.745(7) . ?
B4 B5 1.750(6) . ?
B5 B9 1.741(6) . ?
B5 B10 1.762(6) . ?
B5 B6 1.762(6) . ?
B6 B10 1.754(6) . ?
B6 B11 1.758(6) . ?
B7 B8 1.765(6) . ?
B7 B12 1.767(7) . ?
B7 B11 1.776(6) . ?
B8 B12 1.753(7) . ?
B8 B9 1.757(7) . ?
B9 B12 1.767(6) . ?
B9 B10 1.780(6) . ?
B10 B11 1.767(7) . ?
B10 B12 1.787(7) . ?
B11 B12 1.768(6) . ?
P1 C11 1.793(3) . ?
P1 C31 1.795(3) . ?
P1 C21 1.797(3) . ?
P1 C40 1.817(3) . ?
C11 C16 1.387(5) . ?
C11 C12 1.388(5) . ?
C12 C13 1.380(5) . ?
C13 C14 1.373(5) . ?
C14 C15 1.382(5) . ?
C15 C16 1.368(5) . ?
C21 C22 1.381(5) . ?
C21 C26 1.394(5) . ?
C22 C23 1.379(5) . ?
C23 C24 1.363(6) . ?
C24 C25 1.370(6) . ?
C25 C26 1.374(5) . ?
C31 C36 1.385(5) . ?
C31 C32 1.397(5) . ?
C32 C33 1.365(5) . ?
C33 C34 1.359(6) . ?
C34 C35 1.374(6) . ?
C35 C36 1.379(5) . ?
C40 C41 1.511(4) . ?
C41 C46 1.381(4) 2_667 ?
C41 C42 1.383(5) . ?
C42 C46 1.372(5) . ?
C46 C41 1.381(4) 2_667 ?
