#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:14:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178641 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/52/4075215.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_4075215
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 N4 O Zr'
_chemical_formula_weight         589.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 98.64(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.004(2)
_cell_length_b                   17.188(3)
_cell_length_c                   18.834(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3201.7(11)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SHELXTL'
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'AFC7R RIGAKU DIFFRACTOMETER'
_diffrn_measurement_method       'Omega scan'
_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  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0781
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            5979
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    0.367
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.93158
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.222
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.638
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5633
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0929
_refine_ls_R_factor_gt           0.0519
_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)+(0.0763P)²+1.5009P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1576
_reflns_number_gt                3912
_reflns_number_total             5633
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060125ysi20060208_021615.cif
_cod_data_source_block           6a
_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.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' 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_sg_symbol_H-M      P2(1)/n
_cod_database_code               4075215
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Zr1 Zr 0.53126(4) 0.69637(2) 0.57547(2) 0.03498(16) Uani 1 1 d .
O1 O 0.0446(4) 0.9451(2) 0.5810(2) 0.0710(11) Uani 1 1 d .
N1 N 0.3872(3) 0.79696(19) 0.62723(19) 0.0345(8) Uani 1 1 d .
N2 N 0.6812(4) 0.7775(2) 0.5860(2) 0.0467(10) Uani 1 1 d .
N3 N 0.5208(4) 0.6291(2) 0.6639(2) 0.0444(9) Uani 1 1 d .
N4 N 0.7043(4) 0.5995(2) 0.55757(19) 0.0426(9) Uani 1 1 d .
H4 H 0.6198 0.6014 0.5616 0.051 Uiso 1 1 calc R
B3 B 0.4787(5) 0.6979(3) 0.4361(3) 0.0415(12) Uani 1 1 d .
H3 H 0.5823 0.6962 0.4232 0.050 Uiso 1 1 calc R
B4 B 0.3986(6) 0.6181(3) 0.4704(3) 0.0428(13) Uani 1 1 d .
H4A H 0.4456 0.5604 0.4798 0.051 Uiso 1 1 calc R
B5 B 0.2872(5) 0.6594(3) 0.5209(3) 0.0389(12) Uani 1 1 d .
H5 H 0.2584 0.6304 0.5684 0.047 Uiso 1 1 calc R
B6 B 0.2388(6) 0.7891(3) 0.4296(3) 0.0416(12) Uani 1 1 d .
H6 H 0.1884 0.8455 0.4180 0.050 Uiso 1 1 calc R
B7 B 0.3534(6) 0.7503(3) 0.3767(3) 0.0472(13) Uani 1 1 d .
H7 H 0.3773 0.7811 0.3290 0.057 Uiso 1 1 calc R
B8 B 0.3435(7) 0.6480(4) 0.3807(3) 0.0565(16) Uani 1 1 d .
H8 H 0.3604 0.6113 0.3351 0.068 Uiso 1 1 calc R
B9 B 0.2231(6) 0.6238(3) 0.4359(3) 0.0539(15) Uani 1 1 d .
H9 H 0.1601 0.5712 0.4273 0.065 Uiso 1 1 calc R
B10 B 0.1575(6) 0.7106(3) 0.4657(3) 0.0453(13) Uani 1 1 d .
H10 H 0.0532 0.7156 0.4771 0.054 Uiso 1 1 calc R
B11 B 0.1950(6) 0.7053(3) 0.3772(3) 0.0515(14) Uani 1 1 d .
H11 H 0.1156 0.7061 0.3300 0.062 Uiso 1 1 calc R
C1 C 0.2988(4) 0.7527(2) 0.5135(2) 0.0348(9) Uani 1 1 d .
C2 C 0.4093(5) 0.7772(3) 0.4644(2) 0.0424(11) Uani 1 1 d .
H2 H 0.4680 0.8314 0.4726 0.051 Uiso 1 1 calc R
C3 C 0.2889(4) 0.8023(3) 0.5760(2) 0.0386(10) Uani 1 1 d .
H3A H 0.2159 0.8353 0.5780 0.046 Uiso 1 1 calc R
C4 C 0.3815(4) 0.8444(3) 0.6907(2) 0.0367(10) Uani 1 1 d .
C5 C 0.3202(4) 0.8130(3) 0.7461(2) 0.0412(10) Uani 1 1 d .
C6 C 0.3105(5) 0.8601(3) 0.8045(3) 0.0566(14) Uani 1 1 d .
H6A H 0.2680 0.8408 0.8415 0.068 Uiso 1 1 calc R
C7 C 0.3609(6) 0.9335(3) 0.8097(3) 0.0620(15) Uani 1 1 d .
H7A H 0.3531 0.9637 0.8498 0.074 Uiso 1 1 calc R
C8 C 0.4242(5) 0.9631(3) 0.7546(3) 0.0534(13) Uani 1 1 d .
H8A H 0.4600 1.0131 0.7586 0.064 Uiso 1 1 calc R
C9 C 0.4349(4) 0.9193(3) 0.6939(2) 0.0418(11) Uani 1 1 d .
C10 C 0.2606(5) 0.7311(3) 0.7423(3) 0.0513(12) Uani 1 1 d .
H10A H 0.3093 0.7002 0.7107 0.062 Uiso 1 1 calc R
C11 C 0.2772(7) 0.6903(4) 0.8157(3) 0.0751(18) Uani 1 1 d .
H11A H 0.3710 0.6899 0.8363 0.113 Uiso 1 1 calc R
H11B H 0.2448 0.6378 0.8096 0.113 Uiso 1 1 calc R
H11C H 0.2262 0.7177 0.8470 0.113 Uiso 1 1 calc R
C12 C 0.1105(6) 0.7318(4) 0.7092(4) 0.0761(18) Uani 1 1 d .
H12A H 0.1004 0.7572 0.6633 0.114 Uiso 1 1 calc R
H12B H 0.0593 0.7592 0.7404 0.114 Uiso 1 1 calc R
H12C H 0.0781 0.6793 0.7031 0.114 Uiso 1 1 calc R
C13 C 0.4961(5) 0.9540(3) 0.6317(3) 0.0482(12) Uani 1 1 d .
H13A H 0.5273 0.9110 0.6042 0.058 Uiso 1 1 calc R
C14 C 0.6195(6) 1.0064(3) 0.6583(4) 0.0790(19) Uani 1 1 d .
H14A H 0.6554 1.0271 0.6177 0.118 Uiso 1 1 calc R
H14B H 0.6878 0.9761 0.6872 0.118 Uiso 1 1 calc R
H14C H 0.5918 1.0484 0.6864 0.118 Uiso 1 1 calc R
C15 C 0.3907(6) 0.9995(3) 0.5817(3) 0.0683(16) Uani 1 1 d .
H15A H 0.3148 0.9664 0.5657 0.102 Uiso 1 1 calc R
H15B H 0.4294 1.0174 0.5411 0.102 Uiso 1 1 calc R
H15C H 0.3612 1.0433 0.6069 0.102 Uiso 1 1 calc R
C16 C 0.7387(6) 0.8014(4) 0.6589(3) 0.0710(16) Uani 1 1 d .
H16A H 0.8079 0.8396 0.6566 0.107 Uiso 1 1 calc R
H16B H 0.7769 0.7570 0.6854 0.107 Uiso 1 1 calc R
H16C H 0.6688 0.8234 0.6825 0.107 Uiso 1 1 calc R
C17 C 0.7497(6) 0.8153(4) 0.5335(4) 0.0769(18) Uani 1 1 d .
H17A H 0.8159 0.8508 0.5572 0.115 Uiso 1 1 calc R
H17B H 0.6852 0.8434 0.5002 0.115 Uiso 1 1 calc R
H17C H 0.7937 0.7769 0.5081 0.115 Uiso 1 1 calc R
C18 C 0.5781(7) 0.6465(4) 0.7381(3) 0.0731(17) Uani 1 1 d .
H18A H 0.5579 0.6047 0.7687 0.110 Uiso 1 1 calc R
H18B H 0.5396 0.6940 0.7528 0.110 Uiso 1 1 calc R
H18C H 0.6743 0.6523 0.7417 0.110 Uiso 1 1 calc R
C19 C 0.4615(7) 0.5517(3) 0.6608(3) 0.0746(19) Uani 1 1 d .
H19A H 0.4675 0.5310 0.7085 0.112 Uiso 1 1 calc R
H19B H 0.5095 0.5184 0.6324 0.112 Uiso 1 1 calc R
H19C H 0.3683 0.5547 0.6394 0.112 Uiso 1 1 calc R
C20 C 0.8157(6) 0.6034(4) 0.6175(3) 0.079(2) Uani 1 1 d .
H20A H 0.8835 0.5658 0.6104 0.118 Uiso 1 1 calc R
H20B H 0.7822 0.5923 0.6616 0.118 Uiso 1 1 calc R
H20C H 0.8546 0.6546 0.6198 0.118 Uiso 1 1 calc R
C21 C 0.7581(6) 0.5919(3) 0.4897(3) 0.0649(15) Uani 1 1 d .
H21A H 0.8247 0.5512 0.4939 0.097 Uiso 1 1 calc R
H21B H 0.7991 0.6401 0.4788 0.097 Uiso 1 1 calc R
H21C H 0.6859 0.5793 0.4518 0.097 Uiso 1 1 calc R
C22 C -0.0024(6) 1.0102(3) 0.5382(3) 0.0698(16) Uani 1 1 d .
H22A H 0.0543 1.0551 0.5520 0.084 Uiso 1 1 calc R
H22B H -0.0944 1.0228 0.5447 0.084 Uiso 1 1 calc R
C23 C 0.0453(7) 0.9610(4) 0.6545(3) 0.0833(19) Uani 1 1 d .
H23A H 0.0776 0.9162 0.6824 0.125 Uiso 1 1 calc R
H23B H -0.0448 0.9731 0.6627 0.125 Uiso 1 1 calc R
H23C H 0.1036 1.0044 0.6685 0.125 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'
Zr Zr -2.9673 0.5597 '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 Zr1 N3 115.79(16) .
N2 Zr1 N4 87.35(15) .
N3 Zr1 N4 81.49(14) .
N2 Zr1 N1 87.06(14) .
N3 Zr1 N1 88.32(13) .
N4 Zr1 N1 164.87(12) .
N2 Zr1 B5 147.80(16) .
N3 Zr1 B5 91.39(16) .
N4 Zr1 B5 114.92(15) .
N1 Zr1 B5 76.28(14) .
N2 Zr1 B4 135.74(18) .
N3 Zr1 B4 104.26(16) .
N4 Zr1 B4 80.43(15) .
N1 Zr1 B4 113.11(15) .
B5 Zr1 B4 38.95(17) .
N2 Zr1 B3 97.25(17) .
N3 Zr1 B3 143.31(17) .
N4 Zr1 B3 84.73(14) .
N1 Zr1 B3 109.93(14) .
B5 Zr1 B3 64.19(17) .
B4 Zr1 B3 39.65(17) .
N2 Zr1 C1 112.43(14) .
N3 Zr1 C1 114.88(15) .
N4 Zr1 C1 141.51(12) .
N1 Zr1 C1 53.37(12) .
B5 Zr1 C1 36.11(15) .
B4 Zr1 C1 62.19(16) .
B3 Zr1 C1 61.04(15) .
N2 Zr1 C2 87.90(16) .
N3 Zr1 C2 149.98(15) .
N4 Zr1 C2 119.77(13) .
N1 Zr1 C2 74.05(13) .
B5 Zr1 C2 61.25(16) .
B4 Zr1 C2 63.04(15) .
B3 Zr1 C2 36.72(15) .
C1 Zr1 C2 35.30(14) .
C23 O1 C22 111.0(4) .
C3 N1 C4 117.4(4) .
C3 N1 Zr1 100.2(3) .
C4 N1 Zr1 142.4(3) .
C17 N2 C16 110.9(5) .
C17 N2 Zr1 131.4(4) .
C16 N2 Zr1 117.6(4) .
C19 N3 C18 109.0(4) .
C19 N3 Zr1 123.7(3) .
C18 N3 Zr1 127.2(3) .
C20 N4 C21 109.8(4) .
C20 N4 Zr1 109.5(3) .
C21 N4 Zr1 122.5(3) .
C2 B3 B4 106.7(4) .
C2 B3 B7 59.9(3) .
B4 B3 B7 107.9(4) .
C2 B3 B8 105.3(4) .
B4 B3 B8 59.8(3) .
B7 B3 B8 58.9(3) .
C2 B3 Zr1 73.3(2) .
B4 B3 Zr1 69.9(2) .
B7 B3 Zr1 130.7(3) .
B8 B3 Zr1 127.0(3) .
B5 B4 B3 104.4(4) .
B5 B4 B8 105.8(4) .
B3 B4 B8 61.2(3) .
B5 B4 B9 59.6(3) .
B3 B4 B9 107.5(4) .
B8 B4 B9 59.2(3) .
B5 B4 Zr1 70.3(2) .
B3 B4 Zr1 70.5(2) .
B8 B4 Zr1 128.9(3) .
B9 B4 Zr1 127.9(3) .
C1 B5 B4 107.5(4) .
C1 B5 B9 106.9(4) .
B4 B5 B9 61.8(3) .
C1 B5 B10 60.8(3) .
B4 B5 B10 111.0(4) .
B9 B5 B10 59.9(3) .
C1 B5 Zr1 73.4(2) .
B4 B5 Zr1 70.7(2) .
B9 B5 Zr1 130.4(4) .
B10 B5 Zr1 132.6(3) .
C1 B6 C2 55.0(3) .
C1 B6 B7 102.4(4) .
C2 B6 B7 59.0(3) .
C1 B6 B10 59.1(3) .
C2 B6 B10 104.3(3) .
B7 B6 B10 107.8(4) .
C1 B6 B11 103.9(4) .
C2 B6 B11 105.1(4) .
B7 B6 B11 60.1(3) .
B10 B6 B11 60.0(3) .
C2 B7 B6 60.1(3) .
C2 B7 B8 103.7(4) .
B6 B7 B8 107.9(4) .
C2 B7 B11 105.9(4) .
B6 B7 B11 60.1(3) .
B8 B7 B11 60.4(3) .
C2 B7 B3 56.1(3) .
B6 B7 B3 106.9(4) .
B8 B7 B3 60.7(3) .
B11 B7 B3 108.7(4) .
B9 B8 B7 108.1(4) .
B9 B8 B4 60.7(3) .
B7 B8 B4 108.6(4) .
B9 B8 B11 60.6(4) .
B7 B8 B11 59.8(3) .
B4 B8 B11 109.6(4) .
B9 B8 B3 107.1(4) .
B7 B8 B3 60.5(3) .
B4 B8 B3 59.1(3) .
B11 B8 B3 108.1(4) .
B5 B9 B8 105.6(4) .
B5 B9 B10 60.8(3) .
B8 B9 B10 108.1(4) .
B5 B9 B11 107.2(4) .
B8 B9 B11 60.3(4) .
B10 B9 B11 59.9(3) .
B5 B9 B4 58.5(3) .
B8 B9 B4 60.1(3) .
B10 B9 B4 109.0(4) .
B11 B9 B4 108.9(4) .
C1 B10 B9 102.0(4) .
C1 B10 B6 59.3(3) .
B9 B10 B6 108.1(4) .
C1 B10 B11 104.0(4) .
B9 B10 B11 60.8(3) .
B6 B10 B11 60.0(3) .
C1 B10 B5 55.1(3) .
B9 B10 B5 59.3(3) .
B6 B10 B5 105.5(4) .
B11 B10 B5 106.7(4) .
B6 B11 B7 59.8(3) .
B6 B11 B10 60.0(3) .
B7 B11 B10 107.5(4) .
B6 B11 B8 107.2(4) .
B7 B11 B8 59.8(3) .
B10 B11 B8 106.8(4) .
B6 B11 B9 107.0(4) .
B7 B11 B9 106.9(4) .
B10 B11 B9 59.4(3) .
B8 B11 B9 59.2(3) .
C3 C1 C2 116.5(4) .
C3 C1 B5 119.5(4) .
C2 C1 B5 112.1(4) .
C3 C1 B10 121.0(4) .
C2 C1 B10 113.2(3) .
B5 C1 B10 64.1(3) .
C3 C1 B6 117.9(4) .
C2 C1 B6 63.3(3) .
B5 C1 B6 114.9(3) .
B10 C1 B6 61.7(3) .
C3 C1 Zr1 91.1(2) .
C2 C1 Zr1 73.2(2) .
B5 C1 Zr1 70.5(2) .
B10 C1 Zr1 133.1(3) .
B6 C1 Zr1 134.9(3) .
C1 C2 B3 109.2(4) .
C1 C2 B7 109.3(4) .
B3 C2 B7 64.0(3) .
C1 C2 B6 61.8(3) .
B3 C2 B6 114.2(4) .
B7 C2 B6 60.9(3) .
C1 C2 Zr1 71.5(2) .
B3 C2 Zr1 69.9(2) .
B7 C2 Zr1 131.3(3) .
B6 C2 Zr1 131.8(3) .
N1 C3 C1 115.3(4) .
C9 C4 C5 122.3(4) .
C9 C4 N1 119.4(4) .
C5 C4 N1 118.3(4) .
C6 C5 C4 117.4(5) .
C6 C5 C10 120.3(4) .
C4 C5 C10 122.2(4) .
C7 C6 C5 122.2(5) .
C6 C7 C8 119.5(5) .
C9 C8 C7 121.1(5) .
C8 C9 C4 117.4(4) .
C8 C9 C13 120.8(4) .
C4 C9 C13 121.7(4) .
C5 C10 C11 112.9(5) .
C5 C10 C12 111.3(4) .
C11 C10 C12 109.6(5) .
C15 C13 C9 110.9(4) .
C15 C13 C14 110.3(5) .
C9 C13 C14 111.8(4) .
O1 C22 C22 107.9(6) 3_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zr1 N2 2.036(4) .
Zr1 N3 2.043(4) .
Zr1 N4 2.461(4) .
Zr1 N1 2.538(3) .
Zr1 B5 2.582(5) .
Zr1 B4 2.588(5) .
Zr1 B3 2.599(5) .
Zr1 C1 2.625(4) .
Zr1 C2 2.650(4) .
O1 C23 1.410(7) .
O1 C22 1.419(7) .
N1 C3 1.273(6) .
N1 C4 1.456(5) .
N2 C17 1.440(7) .
N2 C16 1.466(7) .
N3 C19 1.454(6) .
N3 C18 1.460(6) .
N4 C20 1.464(6) .
N4 C21 1.466(6) .
B3 C2 1.654(7) .
B3 B4 1.759(8) .
B3 B7 1.792(7) .
B3 B8 1.796(8) .
B4 B5 1.724(8) .
B4 B8 1.772(7) .
B4 B9 1.781(8) .
B5 C1 1.614(7) .
B5 B9 1.744(7) .
B5 B10 1.771(7) .
B6 C1 1.721(6) .
B6 C2 1.745(7) .
B6 B7 1.759(8) .
B6 B10 1.762(8) .
B6 B11 1.763(8) .
B7 C2 1.726(7) .
B7 B8 1.763(8) .
B7 B11 1.765(9) .
B8 B9 1.755(10) .
B8 B11 1.774(9) .
B9 B10 1.755(8) .
B9 B11 1.780(8) .
B10 C1 1.717(6) .
B10 B11 1.764(8) .
C1 C3 1.469(6) .
C1 C2 1.600(6) .
C4 C9 1.392(6) .
C4 C5 1.396(6) .
C5 C6 1.379(7) .
C5 C10 1.527(7) .
C6 C7 1.356(8) .
C7 C8 1.391(8) .
C8 C9 1.387(6) .
C9 C13 1.523(7) .
C10 C11 1.536(7) .
C10 C12 1.536(8) .
C13 C15 1.519(7) .
C13 C14 1.548(7) .
C22 C22 1.487(11) 3_576
