#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:14:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178641 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/52/4075216.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_4075216
loop_
_publ_author_name
'Gao, Mingli'
'Tang, Yong'
'Xie, Meihua'
'Qian, Changtao'
'Xie, Zuowei'
_publ_section_title
;
 Synthesis, Structure, and Olefin Polymerization Behavior of
 Constrained-Geometry Group 4 Metallacarboranes Incorporating
 Imido-Dicarbollyl Ligands
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2578
_journal_paper_doi               10.1021/om060125y
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C23 H52 B9 Hf N4 O'
_chemical_formula_weight         676.47
_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                 111.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.165(2)
_cell_length_b                   17.424(4)
_cell_length_c                   20.250(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3348.4(14)
_computing_cell_refinement       'BIOTEX RIGAKU'
_computing_data_collection       'RAXIS-IIC RIGAKU'
_computing_data_reduction        'BIOTEX RIGAKU'
_computing_molecular_graphics    'SIEMENS SHELXTL'
_computing_publication_material  'SIEMENS SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.898
_diffrn_measured_fraction_theta_max 0.898
_diffrn_measurement_device_type  'RAXIS-IIC RIGAKU'
_diffrn_measurement_method       IP
_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  0.0617
_diffrn_reflns_av_sigmaI/netI    0.0636
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9791
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    3.138
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6667
_exptl_absorpt_correction_type   ABSCOR
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.959
_refine_diff_density_min         -1.962
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5284
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0547
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0598P)²+10.3774P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1487
_refine_ls_wR_factor_ref         0.1521
_reflns_number_gt                5163
_reflns_number_total             5284
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060125ysi20060208_021615.cif
_cod_data_source_block           7a
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3348.7(12)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4075216
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
Hf1 Hf 0.04597(3) 0.802757(16) 0.574694(17) 0.05164(16) Uani 1 1 d .
O1 O 0.5366(7) 0.5545(4) 0.5814(4) 0.090(2) Uani 1 1 d .
N1 N 0.2391(6) 0.7042(3) 0.6267(4) 0.0502(15) Uani 1 1 d .
N2 N -0.0927(7) 0.7224(4) 0.5860(4) 0.0619(17) Uani 1 1 d .
N3 N 0.1446(7) 0.8692(3) 0.6627(4) 0.0639(17) Uani 1 1 d .
N4 N -0.1415(7) 0.8986(4) 0.5570(4) 0.0597(16) Uani 1 1 d .
H4 H -0.0547 0.8968 0.5604 0.072 Uiso 1 1 calc R
C1 C 0.2161(7) 0.7469(4) 0.5134(4) 0.0525(17) Uani 1 1 d .
C2 C 0.0597(8) 0.7227(4) 0.4651(4) 0.0553(17) Uani 1 1 d .
H2 H 0.0125 0.6686 0.4740 0.066 Uiso 1 1 calc R
C3 C 0.2891(8) 0.6976(4) 0.5775(5) 0.058(2) Uani 1 1 d .
H3A H 0.3639 0.6652 0.5808 0.069 Uiso 1 1 calc R
C4 C 0.3086(7) 0.6559(4) 0.6905(4) 0.0518(17) Uani 1 1 d .
C5 C 0.4274(8) 0.6873(4) 0.7464(5) 0.0581(19) Uani 1 1 d .
C6 C 0.4952(9) 0.6412(5) 0.8053(5) 0.072(2) Uani 1 1 d .
H6A H 0.5727 0.6604 0.8419 0.087 Uiso 1 1 calc R
C7 C 0.4481(10) 0.5667(6) 0.8099(5) 0.078(3) Uani 1 1 d .
H7A H 0.4948 0.5365 0.8492 0.093 Uiso 1 1 calc R
C8 C 0.3319(10) 0.5377(5) 0.7559(5) 0.073(2) Uani 1 1 d .
H8A H 0.3010 0.4884 0.7603 0.087 Uiso 1 1 calc R
C9 C 0.2584(8) 0.5806(4) 0.6941(4) 0.0585(18) Uani 1 1 d .
C10 C 0.4838(9) 0.7694(5) 0.7421(5) 0.066(2) Uani 1 1 d .
H10A H 0.4053 0.8002 0.7110 0.079 Uiso 1 1 calc R
C11 C 0.5424(12) 0.8102(6) 0.8160(7) 0.096(4) Uani 1 1 d .
H11A H 0.4705 0.8117 0.8363 0.143 Uiso 1 1 calc R
H11B H 0.5704 0.8617 0.8101 0.143 Uiso 1 1 calc R
H11C H 0.6224 0.7824 0.8467 0.143 Uiso 1 1 calc R
C12 C 0.6001(11) 0.7669(7) 0.7090(7) 0.100(4) Uani 1 1 d .
H12A H 0.5640 0.7419 0.6638 0.150 Uiso 1 1 calc R
H12B H 0.6801 0.7390 0.7397 0.150 Uiso 1 1 calc R
H12C H 0.6281 0.8183 0.7031 0.150 Uiso 1 1 calc R
C13 C 0.1353(8) 0.5459(5) 0.6322(5) 0.068(2) Uani 1 1 d .
H13A H 0.0770 0.5883 0.6055 0.081 Uiso 1 1 calc R
C14 C 0.0392(11) 0.4929(6) 0.6601(7) 0.098(4) Uani 1 1 d .
H14A H 0.0061 0.5219 0.6914 0.147 Uiso 1 1 calc R
H14B H 0.0933 0.4498 0.6851 0.147 Uiso 1 1 calc R
H14C H -0.0399 0.4748 0.6207 0.147 Uiso 1 1 calc R
C15 C 0.1909(11) 0.5005(5) 0.5812(6) 0.092(3) Uani 1 1 d .
H15A H 0.2486 0.5335 0.5650 0.138 Uiso 1 1 calc R
H15B H 0.1126 0.4825 0.5415 0.138 Uiso 1 1 calc R
H15C H 0.2457 0.4575 0.6058 0.138 Uiso 1 1 calc R
C16 C -0.0793(13) 0.6962(6) 0.6586(7) 0.090(3) Uani 1 1 d .
H16A H -0.1510 0.6590 0.6551 0.135 Uiso 1 1 calc R
H16B H -0.0900 0.7394 0.6857 0.135 Uiso 1 1 calc R
H16C H 0.0118 0.6736 0.6816 0.135 Uiso 1 1 calc R
C17 C -0.2134(11) 0.6847(6) 0.5331(7) 0.092(3) Uani 1 1 d .
H17A H -0.2560 0.6499 0.5563 0.139 Uiso 1 1 calc R
H17B H -0.1822 0.6568 0.5006 0.139 Uiso 1 1 calc R
H17C H -0.2811 0.7227 0.5079 0.139 Uiso 1 1 calc R
C18 C 0.1633(11) 0.8511(6) 0.7376(6) 0.085(3) Uani 1 1 d .
H18A H 0.2132 0.8922 0.7677 0.128 Uiso 1 1 calc R
H18B H 0.2162 0.8044 0.7517 0.128 Uiso 1 1 calc R
H18C H 0.0727 0.8450 0.7417 0.128 Uiso 1 1 calc R
C19 C 0.1981(13) 0.9481(5) 0.6595(6) 0.092(3) Uani 1 1 d .
H19A H 0.2401 0.9683 0.7065 0.138 Uiso 1 1 calc R
H19B H 0.1214 0.9805 0.6324 0.138 Uiso 1 1 calc R
H19C H 0.2674 0.9465 0.6374 0.138 Uiso 1 1 calc R
C20 C -0.1946(11) 0.8947(6) 0.6175(6) 0.088(3) Uani 1 1 d .
H20A H -0.2677 0.9321 0.6106 0.132 Uiso 1 1 calc R
H20B H -0.1184 0.9051 0.6611 0.132 Uiso 1 1 calc R
H20C H -0.2315 0.8443 0.6194 0.132 Uiso 1 1 calc R
C21 C -0.2654(10) 0.9062(6) 0.4904(5) 0.078(3) Uani 1 1 d .
H21A H -0.3246 0.9471 0.4952 0.117 Uiso 1 1 calc R
H21B H -0.3177 0.8591 0.4810 0.117 Uiso 1 1 calc R
H21C H -0.2341 0.9174 0.4520 0.117 Uiso 1 1 calc R
C22 C 0.5412(11) 0.4902(6) 0.5388(6) 0.090(3) Uani 1 1 d .
H22A H 0.4997 0.4458 0.5527 0.108 Uiso 1 1 calc R
H22B H 0.6381 0.4782 0.5452 0.108 Uiso 1 1 calc R
C23 C 0.6103(12) 0.5393(7) 0.6549(7) 0.098(3) Uani 1 1 d .
H23A H 0.6054 0.5836 0.6821 0.147 Uiso 1 1 calc R
H23B H 0.7071 0.5278 0.6627 0.147 Uiso 1 1 calc R
H23C H 0.5678 0.4962 0.6692 0.147 Uiso 1 1 calc R
B3 B -0.0426(11) 0.8004(5) 0.4361(5) 0.061(3) Uani 1 1 d .
H3 H -0.1572 0.8006 0.4235 0.073 Uiso 1 1 calc R
B4 B 0.0740(10) 0.8809(5) 0.4711(5) 0.059(2) Uani 1 1 d .
H4A H 0.0369 0.9377 0.4806 0.070 Uiso 1 1 calc R
B5 B 0.2372(9) 0.8404(5) 0.5225(5) 0.054(2) Uani 1 1 d .
H5 H 0.3126 0.8685 0.5695 0.065 Uiso 1 1 calc R
B6 B 0.1922(11) 0.7112(5) 0.4293(6) 0.061(2) Uani 1 1 d .
H6 H 0.2299 0.6557 0.4171 0.073 Uiso 1 1 calc R
B7 B 0.0246(11) 0.7500(6) 0.3765(5) 0.065(2) Uani 1 1 d .
H7 H -0.0459 0.7199 0.3293 0.078 Uiso 1 1 calc R
B8 B 0.0370(12) 0.8523(5) 0.3805(6) 0.070(3) Uani 1 1 d .
H8 H -0.0251 0.8886 0.3357 0.083 Uiso 1 1 calc R
B9 B 0.2151(12) 0.8771(6) 0.4374(6) 0.073(3) Uani 1 1 d .
H9 H 0.2685 0.9293 0.4296 0.087 Uiso 1 1 calc R
B10 B 0.3101(11) 0.7900(5) 0.4670(6) 0.064(2) Uani 1 1 d .
H10 H 0.4242 0.7853 0.4787 0.076 Uiso 1 1 calc R
B11 B 0.1832(13) 0.7958(5) 0.3769(6) 0.068(3) Uani 1 1 d .
H11 H 0.2149 0.7957 0.3304 0.081 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hf Hf -0.5830 6.1852 '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'
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_3
N2 Hf1 N3 115.3(3) .
N2 Hf1 N1 87.3(2) .
N3 Hf1 N1 87.5(2) .
N2 Hf1 B4 136.4(3) .
N3 Hf1 B4 104.1(3) .
N1 Hf1 B4 113.4(3) .
N2 Hf1 B5 148.9(3) .
N3 Hf1 B5 90.4(3) .
N1 Hf1 B5 76.1(2) .
B4 Hf1 B5 39.5(3) .
N2 Hf1 B3 97.0(3) .
N3 Hf1 B3 144.0(3) .
N1 Hf1 B3 110.6(3) .
B4 Hf1 B3 40.6(3) .
B5 Hf1 B3 65.8(3) .
N2 Hf1 C1 113.0(2) .
N3 Hf1 C1 114.5(3) .
N1 Hf1 C1 53.6(2) .
B4 Hf1 C1 62.3(2) .
B5 Hf1 C1 36.5(2) .
B3 Hf1 C1 61.6(3) .
N2 Hf1 C2 88.8(3) .
N3 Hf1 C2 149.3(3) .
N1 Hf1 C2 74.2(2) .
B4 Hf1 C2 63.2(3) .
B5 Hf1 C2 61.7(3) .
B3 Hf1 C2 37.0(2) .
C1 Hf1 C2 35.0(2) .
C22 O1 C23 111.5(8) .
C3 N1 C4 115.3(6) .
C3 N1 Hf1 101.7(5) .
C4 N1 Hf1 142.9(5) .
C17 N2 C16 109.8(8) .
C17 N2 Hf1 130.8(7) .
C16 N2 Hf1 119.4(6) .
C19 N3 C18 108.9(7) .
C19 N3 Hf1 123.6(6) .
C18 N3 Hf1 127.3(6) .
C21 N4 C20 107.9(7) .
C3 C1 C2 116.8(6) .
C3 C1 B5 117.6(7) .
C2 C1 B5 113.1(6) .
C3 C1 B10 121.0(7) .
C2 C1 B10 113.8(7) .
B5 C1 B10 63.7(5) .
C3 C1 B6 119.2(6) .
C2 C1 B6 63.1(5) .
B5 C1 B6 115.4(6) .
B10 C1 B6 62.4(5) .
C3 C1 Hf1 90.5(5) .
C2 C1 Hf1 73.2(4) .
B5 C1 Hf1 70.4(4) .
B10 C1 Hf1 132.4(5) .
B6 C1 Hf1 134.5(5) .
C1 C2 B3 110.9(6) .
C1 C2 B6 62.6(5) .
B3 C2 B6 114.7(7) .
C1 C2 B7 110.2(6) .
B3 C2 B7 63.4(5) .
B6 C2 B7 61.1(5) .
C1 C2 Hf1 71.9(4) .
B3 C2 Hf1 70.0(4) .
B6 C2 Hf1 132.8(5) .
B7 C2 Hf1 130.8(5) .
N1 C3 C1 114.1(7) .
C9 C4 C5 121.9(7) .
C9 C4 N1 120.0(7) .
C5 C4 N1 118.2(6) .
C6 C5 C4 118.2(7) .
C6 C5 C10 119.9(8) .
C4 C5 C10 122.0(7) .
C5 C6 C7 121.0(8) .
C8 C7 C6 120.0(8) .
C7 C8 C9 122.3(8) .
C8 C9 C4 116.6(7) .
C8 C9 C13 121.8(7) .
C4 C9 C13 121.5(7) .
C5 C10 C12 110.5(8) .
C5 C10 C11 112.7(8) .
C12 C10 C11 109.6(8) .
C9 C13 C15 110.9(7) .
C9 C13 C14 111.3(9) .
C15 C13 C14 110.8(8) .
O1 C22 C22 108.8(10) 3_666
C2 B3 B4 104.6(7) .
C2 B3 B7 60.6(5) .
B4 B3 B7 106.6(7) .
C2 B3 B8 104.9(7) .
B4 B3 B8 59.3(6) .
B7 B3 B8 58.5(6) .
C2 B3 Hf1 72.9(4) .
B4 B3 Hf1 69.1(4) .
B7 B3 Hf1 130.8(5) .
B8 B3 Hf1 126.1(6) .
B5 B4 B9 59.9(6) .
B5 B4 B8 107.4(6) .
B9 B4 B8 60.5(6) .
B5 B4 B3 105.5(6) .
B9 B4 B3 108.8(7) .
B8 B4 B3 61.3(6) .
B5 B4 Hf1 70.5(4) .
B9 B4 Hf1 128.3(6) .
B8 B4 Hf1 129.2(5) .
B3 B4 Hf1 70.3(4) .
C1 B5 B4 105.9(6) .
C1 B5 B9 106.4(6) .
B4 B5 B9 61.1(6) .
C1 B5 B10 60.6(5) .
B4 B5 B10 110.0(7) .
B9 B5 B10 60.2(6) .
C1 B5 Hf1 73.1(4) .
B4 B5 Hf1 70.1(4) .
B9 B5 Hf1 129.1(6) .
B10 B5 Hf1 132.1(5) .
C1 B6 C2 54.3(5) .
C1 B6 B7 102.6(6) .
C2 B6 B7 59.8(5) .
C1 B6 B11 104.0(6) .
C2 B6 B11 105.4(6) .
B7 B6 B11 60.1(6) .
C1 B6 B10 58.4(5) .
C2 B6 B10 103.4(6) .
B7 B6 B10 108.1(7) .
B11 B6 B10 60.7(6) .
C2 B7 B8 103.8(6) .
C2 B7 B6 59.2(5) .
B8 B7 B6 108.3(7) .
C2 B7 B11 105.1(7) .
B8 B7 B11 60.5(6) .
B6 B7 B11 60.3(6) .
C2 B7 B3 56.0(5) .
B8 B7 B3 61.6(5) .
B6 B7 B3 106.8(7) .
B11 B7 B3 109.5(7) .
B7 B8 B11 60.0(5) .
B7 B8 B4 107.9(7) .
B11 B8 B4 108.4(8) .
B7 B8 B9 107.7(7) .
B11 B8 B9 60.5(6) .
B4 B8 B9 59.5(6) .
B7 B8 B3 59.9(5) .
B11 B8 B3 107.7(7) .
B4 B8 B3 59.4(5) .
B9 B8 B3 106.5(7) .
B5 B9 B10 60.2(5) .
B5 B9 B4 59.0(5) .
B10 B9 B4 108.3(7) .
B5 B9 B8 106.4(7) .
B10 B9 B8 107.9(7) .
B4 B9 B8 60.0(6) .
B5 B9 B11 107.6(7) .
B10 B9 B11 60.6(6) .
B4 B9 B11 108.1(7) .
B8 B9 B11 59.5(6) .
C1 B10 B5 55.7(5) .
C1 B10 B9 102.3(6) .
B5 B10 B9 59.7(5) .
C1 B10 B6 59.2(5) .
B5 B10 B6 106.1(6) .
B9 B10 B6 107.9(8) .
C1 B10 B11 103.7(7) .
B5 B10 B11 107.3(7) .
B9 B10 B11 60.8(6) .
B6 B10 B11 59.6(6) .
B7 B11 B6 59.6(6) .
B7 B11 B8 59.5(6) .
B6 B11 B8 107.0(7) .
B7 B11 B10 107.0(7) .
B6 B11 B10 59.7(6) .
B8 B11 B10 106.8(7) .
B7 B11 B9 106.9(7) .
B6 B11 B9 106.3(8) .
B8 B11 B9 60.0(6) .
B10 B11 B9 58.6(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hf1 N2 2.057(7) .
Hf1 N3 2.060(7) .
Hf1 N1 2.535(6) .
Hf1 B4 2.601(9) .
Hf1 B5 2.608(8) .
Hf1 B3 2.622(10) .
Hf1 C1 2.648(7) .
Hf1 C2 2.667(8) .
O1 C22 1.424(13) .
O1 C23 1.432(13) .
N1 C3 1.275(11) .
N1 C4 1.491(10) .
N2 C17 1.463(13) .
N2 C16 1.499(14) .
N3 C19 1.489(11) .
N3 C18 1.493(13) .
N4 C21 1.484(11) .
N4 C20 1.508(12) .
C1 C3 1.511(11) .
C1 C2 1.597(11) .
C1 B5 1.645(10) .
C1 B10 1.733(12) .
C1 B6 1.747(13) .
C2 B3 1.679(11) .
C2 B6 1.755(12) .
C2 B7 1.766(13) .
C4 C9 1.419(10) .
C4 C5 1.436(11) .
C5 C6 1.397(12) .
C5 C10 1.555(11) .
C6 C7 1.400(13) .
C7 C8 1.386(13) .
C8 C9 1.419(11) .
C9 C13 1.542(12) .
C10 C12 1.555(14) .
C10 C11 1.568(14) .
C13 C15 1.558(14) .
C13 C14 1.589(12) .
C22 C22 1.53(2) 3_666
B3 B4 1.810(13) .
B3 B7 1.813(15) .
B3 B8 1.844(15) .
B4 B5 1.759(13) .
B4 B9 1.797(14) .
B4 B8 1.807(14) .
B5 B9 1.774(14) .
B5 B10 1.783(13) .
B6 B7 1.789(14) .
B6 B11 1.800(14) .
B6 B10 1.803(13) .
B7 B8 1.787(14) .
B7 B11 1.797(15) .
B8 B11 1.805(14) .
B8 B9 1.816(17) .
B9 B10 1.784(14) .
B9 B11 1.824(15) .
B10 B11 1.821(17) .
