#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:41:47 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178663 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/74/4077470.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_4077470
loop_
_publ_author_name
'Ellis, Dianne D.'
'Franken, Andreas'
'Jelliss, Paul A.'
'Stone, F. Gordon A.'
'Yu, Pui-Yin'
_publ_section_title
;
 Synthesis and Reactivity of Monocarbollide Carbonyl Complexes of Iron and
 Molybdenum with Icosahedral Frameworks†
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              1993
_journal_paper_doi               10.1021/om000033n
_journal_volume                  19
_journal_year                    2000
_chemical_formula_moiety         'C26 H33 B10 Mo O4 P'
_chemical_formula_structural
'[Mo(CO)~3~PPh~3~(\h^5^-7-CB~10~H~10~-9-O-C~4~H~8~)]'
_chemical_formula_sum            'C26 H33 B10 Mo O4 P'
_chemical_formula_weight         644.53
_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-97
_cell_angle_alpha                107.392(15)
_cell_angle_beta                 95.60(2)
_cell_angle_gamma                100.476(19)
_cell_formula_units_Z            2
_cell_length_a                   10.7962(19)
_cell_length_b                   10.943(3)
_cell_length_c                   13.959(3)
_cell_measurement_reflns_used    207
_cell_measurement_temperature    163(2)
_cell_measurement_theta_max      50
_cell_measurement_theta_min      5
_cell_volume                     1527.1(6)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1995)'
_computing_publication_material  'SHELXTL (Siemens, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      163(2)
_diffrn_detector_area_resol_mean 60
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'SMART CCD Detector'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0193
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15477
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.94
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  '2 h'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.514
_exptl_absorpt_correction_T_max  0.86207
_exptl_absorpt_correction_T_min  0.75376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.273
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6884
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0221
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0335P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0568
_refine_ls_wR_factor_ref         0.0576
_reflns_number_gt                5963
_reflns_number_total             6884
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om000033n.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0335P)^2^+0.0000P] 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^)+(0.0335P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4077470
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_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Mo Mo 0.337305(12) 0.269382(13) 0.755724(10) 0.01661(5) Uani 1 d .
C3 C 0.42589(15) 0.12996(17) 0.77789(13) 0.0237(3) Uani 1 d .
O3 O 0.47815(11) 0.05108(13) 0.78817(10) 0.0333(3) Uani 1 d .
C4 C 0.51209(15) 0.37408(16) 0.81768(12) 0.0231(3) Uani 1 d .
O4 O 0.61373(11) 0.43654(12) 0.84908(10) 0.0325(3) Uani 1 d .
C5 C 0.31625(15) 0.42694(17) 0.86812(13) 0.0249(4) Uani 1 d .
O5 O 0.31098(12) 0.52300(12) 0.92786(10) 0.0362(3) Uani 1 d .
P P 0.19899(4) 0.15792(4) 0.85751(3) 0.01809(9) Uani 1 d .
C11 C 0.03349(15) 0.17846(16) 0.85023(12) 0.0208(3) Uani 1 d .
C12 C -0.07001(16) 0.07169(18) 0.82020(14) 0.0289(4) Uani 1 d .
H12 H -0.0566 -0.0150 0.7959 0.035 Uiso 1 calc R
C13 C -0.19320(17) 0.09139(19) 0.82562(16) 0.0361(4) Uani 1 d .
H13 H -0.2638 0.0182 0.8050 0.043 Uiso 1 calc R
C14 C -0.21309(17) 0.21711(19) 0.86087(14) 0.0333(4) Uani 1 d .
H14 H -0.2971 0.2301 0.8664 0.040 Uiso 1 calc R
C15 C -0.11135(17) 0.32415(19) 0.88816(14) 0.0302(4) Uani 1 d .
H15 H -0.1255 0.4106 0.9112 0.036 Uiso 1 calc R
C16 C 0.01130(16) 0.30509(17) 0.88185(13) 0.0270(4) Uani 1 d .
H16 H 0.0810 0.3788 0.8992 0.032 Uiso 1 calc R
C21 C 0.25557(16) 0.21401(16) 0.99502(12) 0.0225(3) Uani 1 d .
C22 C 0.17124(17) 0.22922(17) 1.06479(13) 0.0281(4) Uani 1 d .
H22 H 0.0831 0.2197 1.0419 0.034 Uiso 1 calc R
C23 C 0.21517(19) 0.25815(18) 1.16764(14) 0.0338(4) Uani 1 d .
H23 H 0.1575 0.2710 1.2151 0.041 Uiso 1 calc R
C24 C 0.34252(19) 0.26841(18) 1.20125(14) 0.0346(4) Uani 1 d .
H24 H 0.3716 0.2849 1.2714 0.041 Uiso 1 calc R
C25 C 0.42746(19) 0.25469(19) 1.13307(14) 0.0351(4) Uani 1 d .
H25 H 0.5151 0.2625 1.1563 0.042 Uiso 1 calc R
C26 C 0.38457(17) 0.22944(17) 1.03029(13) 0.0295(4) Uani 1 d .
H26 H 0.4437 0.2227 0.9838 0.035 Uiso 1 calc R
C31 C 0.18150(14) -0.02080(15) 0.82369(12) 0.0202(3) Uani 1 d .
C32 C 0.15387(17) -0.09967(17) 0.72166(13) 0.0282(4) Uani 1 d .
H32 H 0.1441 -0.0603 0.6701 0.034 Uiso 1 calc R
C33 C 0.14046(18) -0.23440(18) 0.69458(14) 0.0331(4) Uani 1 d .
H33 H 0.1209 -0.2868 0.6249 0.040 Uiso 1 calc R
C34 C 0.15546(19) -0.29278(18) 0.76877(15) 0.0373(4) Uani 1 d .
H34 H 0.1476 -0.3851 0.7502 0.045 Uiso 1 calc R
C35 C 0.1818(2) -0.21646(19) 0.86980(15) 0.0428(5) Uani 1 d .
H35 H 0.1914 -0.2568 0.9208 0.051 Uiso 1 calc R
C36 C 0.19457(18) -0.08145(18) 0.89790(14) 0.0327(4) Uani 1 d .
H36 H 0.2122 -0.0301 0.9679 0.039 Uiso 1 calc R
C1 C 0.16300(14) 0.16903(16) 0.61758(12) 0.0208(3) Uani 1 d .
H1 H 0.0935 0.1058 0.6471 0.025 Uiso 1 calc R
B2 B 0.30068(16) 0.12038(18) 0.58541(14) 0.0194(4) Uani 1 d .
H2 H 0.3279 0.0287 0.5916 0.023 Uiso 1 calc R
B3 B 0.41382(16) 0.27109(17) 0.60259(14) 0.0183(3) Uani 1 d .
B4 B 0.34255(17) 0.40842(18) 0.65286(14) 0.0201(4) Uani 1 d .
H4 H 0.3975 0.5084 0.7018 0.024 Uiso 1 calc R
B5 B 0.18065(17) 0.33512(18) 0.66218(14) 0.0196(4) Uani 1 d .
H5 H 0.1261 0.3862 0.7200 0.024 Uiso 1 calc R
B6 B 0.09812(17) 0.24168(19) 0.53851(14) 0.0220(4) Uani 1 d .
H6 H -0.0068 0.2322 0.5176 0.026 Uiso 1 calc R
B7 B 0.17138(17) 0.10818(19) 0.49077(14) 0.0220(4) Uani 1 d .
H7 H 0.1156 0.0102 0.4387 0.026 Uiso 1 calc R
B8 B 0.32896(17) 0.17422(18) 0.47871(14) 0.0207(4) Uani 1 d .
H8 H 0.3783 0.1202 0.4180 0.025 Uiso 1 calc R
B9 B 0.35199(17) 0.34804(18) 0.51857(14) 0.0214(4) Uani 1 d .
H9 H 0.4159 0.4086 0.4832 0.026 Uiso 1 calc R
B10 B 0.20966(17) 0.38993(19) 0.55720(14) 0.0222(4) Uani 1 d .
H10 H 0.1791 0.4791 0.5486 0.027 Uiso 1 calc R
B11 B 0.20293(17) 0.24813(19) 0.44982(14) 0.0225(4) Uani 1 d .
H11 H 0.1684 0.2432 0.3702 0.027 Uiso 1 calc R
O6 O 0.55863(10) 0.28461(11) 0.61207(9) 0.0216(2) Uani 1 d .
C7 C 0.62183(16) 0.17510(17) 0.60428(16) 0.0324(4) Uani 1 d .
H7A H 0.5807 0.0989 0.5436 0.039 Uiso 1 calc R
H7B H 0.6189 0.1476 0.6656 0.039 Uiso 1 calc R
C8 C 0.75827(16) 0.22918(18) 0.59525(15) 0.0320(4) Uani 1 d .
H8A H 0.7717 0.2004 0.5235 0.038 Uiso 1 calc R
H8B H 0.8192 0.1996 0.6363 0.038 Uiso 1 calc R
C9 C 0.77521(15) 0.37773(17) 0.63578(14) 0.0292(4) Uani 1 d .
H9A H 0.7962 0.4110 0.7110 0.035 Uiso 1 calc R
H9B H 0.8432 0.4222 0.6071 0.035 Uiso 1 calc R
C10 C 0.64644(15) 0.39767(17) 0.59987(15) 0.0294(4) Uani 1 d .
H10A H 0.6313 0.4821 0.6425 0.035 Uiso 1 calc R
H10B H 0.6378 0.3950 0.5280 0.035 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'
P P 0.1023 0.0942 '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_publ_flag
C4 Mo C5 73.95(7) y
C4 Mo C3 78.50(7) y
C5 Mo C3 124.40(7) y
C4 Mo B3 82.60(7) ?
C5 Mo B3 126.52(7) ?
C3 Mo B3 95.70(6) ?
C4 Mo B5 125.66(7) ?
C5 Mo B5 81.60(7) ?
C3 Mo B5 150.86(7) ?
B3 Mo B5 74.30(6) ?
C4 Mo B4 84.74(7) ?
C5 Mo B4 85.36(7) ?
C3 Mo B4 138.78(6) ?
B3 Mo B4 44.52(6) ?
B5 Mo B4 44.97(6) ?
C4 Mo B2 119.31(7) ?
C5 Mo B2 155.39(6) ?
C3 Mo B2 79.91(7) ?
B3 Mo B2 44.42(6) ?
B5 Mo B2 73.86(7) ?
B4 Mo B2 76.04(6) ?
C4 Mo C1 153.56(6) ?
C5 Mo C1 116.93(6) ?
C3 Mo C1 109.19(6) ?
B3 Mo C1 71.62(6) ?
B5 Mo C1 41.81(6) ?
B4 Mo C1 72.92(6) ?
B2 Mo C1 42.17(6) ?
C4 Mo P 120.45(5) y
C5 Mo P 79.01(5) y
C3 Mo P 74.93(5) y
B3 Mo P 151.49(5) ?
B5 Mo P 100.66(5) ?
B4 Mo P 144.34(4) ?
B2 Mo P 107.07(5) ?
C1 Mo P 85.90(4) ?
O3 C3 Mo 177.96(14) y
O4 C4 Mo 176.44(14) y
O5 C5 Mo 173.87(15) y
C21 P C11 102.74(8) ?
C21 P C31 102.18(7) ?
C11 P C31 103.59(8) ?
C21 P Mo 115.31(6) ?
C11 P Mo 115.42(5) ?
C31 P Mo 115.74(5) ?
C12 C11 C16 118.98(15) ?
C12 C11 P 121.95(13) ?
C16 C11 P 118.95(13) ?
C11 C12 C13 120.16(17) ?
C14 C13 C12 120.11(17) ?
C13 C14 C15 120.26(17) ?
C14 C15 C16 119.82(17) ?
C15 C16 C11 120.58(17) ?
C22 C21 C26 118.89(15) ?
C22 C21 P 121.59(13) ?
C26 C21 P 119.22(13) ?
C23 C22 C21 120.35(17) ?
C24 C23 C22 120.23(18) ?
C25 C24 C23 120.05(16) ?
C24 C25 C26 119.94(17) ?
C25 C26 C21 120.48(17) ?
C36 C31 C32 118.28(16) ?
C36 C31 P 121.65(13) ?
C32 C31 P 120.07(12) ?
C33 C32 C31 120.98(16) ?
C34 C33 C32 120.09(17) ?
C35 C34 C33 119.64(18) ?
C34 C35 C36 120.79(17) ?
C35 C36 C31 120.22(17) ?
B5 C1 B6 62.51(10) ?
B5 C1 B7 114.05(13) ?
B6 C1 B7 62.45(10) ?
B5 C1 B2 113.61(12) ?
B6 C1 B2 113.87(13) ?
B7 C1 B2 62.51(10) ?
B5 C1 Mo 68.54(8) ?
B6 C1 Mo 127.08(10) ?
B7 C1 Mo 127.39(10) ?
B2 C1 Mo 68.86(8) ?
C1 B2 B7 58.46(10) ?
C1 B2 B8 104.08(12) ?
B7 B2 B8 59.31(10) ?
C1 B2 B3 104.57(12) ?
B7 B2 B3 107.08(12) ?
B8 B2 B3 59.69(10) ?
C1 B2 Mo 68.97(8) ?
B7 B2 Mo 123.78(11) ?
B8 B2 Mo 122.42(11) ?
B3 B2 Mo 67.07(8) ?
O6 B3 B9 113.54(13) ?
O6 B3 B8 113.63(13) ?
B9 B3 B8 59.73(10) ?
O6 B3 B4 122.51(13) ?
B9 B3 B4 60.79(10) ?
B8 B3 B4 109.39(12) ?
O6 B3 B2 124.31(13) ?
B9 B3 B2 107.76(12) ?
B8 B3 B2 59.87(10) ?
B4 B3 B2 109.55(12) ?
O6 B3 Mo 112.56(10) ?
B9 B3 Mo 123.79(10) ?
B8 B3 Mo 123.91(10) ?
B4 B3 Mo 68.09(8) ?
B2 B3 Mo 68.51(8) ?
B3 B4 B10 105.52(13) ?
B3 B4 B9 59.10(10) ?
B10 B4 B9 58.67(10) ?
B3 B4 B5 104.78(12) ?
B10 B4 B5 58.73(10) ?
B9 B4 B5 104.61(12) ?
B3 B4 Mo 67.40(8) ?
B10 B4 Mo 121.72(11) ?
B9 B4 Mo 121.65(11) ?
B5 B4 Mo 67.43(8) ?
C1 B5 B6 58.87(10) ?
C1 B5 B10 105.46(13) ?
B6 B5 B10 59.82(10) ?
C1 B5 B4 107.31(12) ?
B6 B5 B4 108.85(13) ?
B10 B5 B4 60.08(10) ?
C1 B5 Mo 69.65(8) ?
B6 B5 Mo 124.78(11) ?
B10 B5 Mo 123.10(11) ?
B4 B5 Mo 67.61(8) ?
C1 B6 B11 105.99(12) ?
C1 B6 B10 105.60(12) ?
B11 B6 B10 60.92(11) ?
C1 B6 B5 58.62(10) ?
B11 B6 B5 109.05(13) ?
B10 B6 B5 60.25(10) ?
C1 B6 B7 58.91(10) ?
B11 B6 B7 60.32(11) ?
B10 B6 B7 108.79(13) ?
B5 B6 B7 107.96(12) ?
C1 B7 B8 105.49(13) ?
C1 B7 B6 58.64(10) ?
B8 B7 B6 107.52(13) ?
C1 B7 B11 105.22(13) ?
B8 B7 B11 60.14(10) ?
B6 B7 B11 59.60(11) ?
C1 B7 B2 59.03(10) ?
B8 B7 B2 60.56(10) ?
B6 B7 B2 107.91(13) ?
B11 B7 B2 108.78(13) ?
B7 B8 B11 60.19(10) ?
B7 B8 B9 107.98(13) ?
B11 B8 B9 59.80(10) ?
B7 B8 B3 108.31(13) ?
B11 B8 B3 108.04(13) ?
B9 B8 B3 59.95(10) ?
B7 B8 B2 60.12(10) ?
B11 B8 B2 108.47(13) ?
B9 B8 B2 108.39(13) ?
B3 B8 B2 60.44(10) ?
B10 B9 B11 60.76(11) ?
B10 B9 B8 108.32(13) ?
B11 B9 B8 60.09(10) ?
B10 B9 B3 107.63(13) ?
B11 B9 B3 108.57(13) ?
B8 B9 B3 60.31(10) ?
B10 B9 B4 60.35(10) ?
B11 B9 B4 110.00(13) ?
B8 B9 B4 109.31(13) ?
B3 B9 B4 60.11(10) ?
B6 B10 B9 107.38(13) ?
B6 B10 B5 59.93(10) ?
B9 B10 B5 108.31(12) ?
B6 B10 B11 59.46(11) ?
B9 B10 B11 59.66(10) ?
B5 B10 B11 107.64(13) ?
B6 B10 B4 109.83(13) ?
B9 B10 B4 60.98(10) ?
B5 B10 B4 61.19(10) ?
B11 B10 B4 109.63(13) ?
B6 B11 B9 107.44(13) ?
B6 B11 B8 107.53(13) ?
B9 B11 B8 60.11(10) ?
B6 B11 B7 60.08(11) ?
B9 B11 B7 107.82(12) ?
B8 B11 B7 59.67(10) ?
B6 B11 B10 59.62(11) ?
B9 B11 B10 59.58(11) ?
B8 B11 B10 107.40(13) ?
B7 B11 B10 107.58(13) ?
C7 O6 C10 110.62(12) ?
C7 O6 B3 124.06(12) ?
C10 O6 B3 123.09(12) ?
O6 C7 C8 104.47(14) ?
C7 C8 C9 104.73(14) ?
C10 C9 C8 102.91(14) ?
O6 C10 C9 102.10(13) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Mo C4 1.9810(18) y
Mo C5 2.0201(18) y
Mo C3 2.0232(17) y
Mo B3 2.3696(19) y
Mo B5 2.3782(18) y
Mo B4 2.3813(18) y
Mo B2 2.3941(19) y
Mo C1 2.3958(17) y
Mo P 2.5542(7) y
C3 O3 1.1486(19) y
C4 O4 1.148(2) y
C5 O5 1.145(2) y
P C21 1.8344(17) ?
P C11 1.8378(16) ?
P C31 1.8385(17) ?
C11 C12 1.389(2) ?
C11 C16 1.396(2) ?
C12 C13 1.391(2) ?
C13 C14 1.380(3) ?
C14 C15 1.381(3) ?
C15 C16 1.385(2) ?
C21 C22 1.392(2) ?
C21 C26 1.393(2) ?
C22 C23 1.388(2) ?
C23 C24 1.382(3) ?
C24 C25 1.380(3) ?
C25 C26 1.391(2) ?
C31 C36 1.397(2) ?
C31 C32 1.397(2) ?
C32 C33 1.384(2) ?
C33 C34 1.381(3) ?
C34 C35 1.378(3) ?
C35 C36 1.387(3) ?
C1 B5 1.703(2) ?
C1 B6 1.708(2) ?
C1 B7 1.713(2) ?
C1 B2 1.723(2) ?
B2 B7 1.783(2) ?
B2 B8 1.791(3) ?
B2 B3 1.801(3) ?
B3 O6 1.5322(19) y
B3 B9 1.781(2) ?
B3 B8 1.787(3) ?
B3 B4 1.800(3) ?
B4 B10 1.800(3) ?
B4 B9 1.812(3) ?
B4 B5 1.820(2) ?
B5 B6 1.770(3) ?
B5 B10 1.775(3) ?
B6 B11 1.765(3) ?
B6 B10 1.768(3) ?
B6 B7 1.773(3) ?
B7 B8 1.768(3) ?
B7 B11 1.778(3) ?
B8 B11 1.777(3) ?
B8 B9 1.777(3) ?
B9 B10 1.770(3) ?
B9 B11 1.771(3) ?
B10 B11 1.791(3) ?
O6 C7 1.4654(19) ?
O6 C10 1.4796(19) ?
C7 C8 1.516(2) ?
C8 C9 1.523(2) ?
C9 C10 1.507(2) ?
