#------------------------------------------------------------------------------
#$Date: 2018-08-02 15:27:28 +0300 (Thu, 02 Aug 2018) $
#$Revision: 209360 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/02/75/7027583.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7027583
loop_
_publ_author_name
'King, Lawrence'
'Motevalli, Majid'
'Sullivan, Alice C.'
_publ_section_title
;
 High oxidation state chromium, molybdenum and tungsten imido
 metallasiloxanes
;
_journal_issue                   18
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3225
_journal_paper_doi               10.1039/a904429i
_journal_year                    1999
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C56 H64 N2 O4 Si4 W1'
_chemical_formula_structural     'C56 H64 O4 N2 SI4 W'
_chemical_formula_sum            'C63 H66 N2 O6 Si4 W'
_chemical_formula_weight         1243.39
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             1999-05-28T15:04:30-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                110.88(6)
_cell_angle_beta                 90.08(4)
_cell_angle_gamma                99.91(4)
_cell_formula_units_Z            1
_cell_length_a                   10.333(4)
_cell_length_b                   10.733(8)
_cell_length_c                   14.149(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     0.71073
_cell_volume                     1440.9(15)
_computing_cell_refinement       'CAD4/PC (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4/PC (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'scintillation LiI'
_diffrn_detector_dtime           1.195
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       'non-profiled omega/2theta scans'
_diffrn_orient_matrix_type
;
  x-axis points to radiation source
  the matrix is specified in reciprocal space
;
_diffrn_orient_matrix_UB_11      0.71874E-1
_diffrn_orient_matrix_UB_12      -0.26556E-1
_diffrn_orient_matrix_UB_13      -0.04606
_diffrn_orient_matrix_UB_21      -0.67239E-1
_diffrn_orient_matrix_UB_22      -0.50682E-1
_diffrn_orient_matrix_UB_23      -0.57802E-1
_diffrn_orient_matrix_UB_31      0.4106E-2
_diffrn_orient_matrix_UB_32      0.08405
_diffrn_orient_matrix_UB_33      -0.16236E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0173
_diffrn_reflns_av_sigmaI/netI    0.0182
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5351
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.54
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.14
_exptl_absorpt_correction_T_max  0.6394
_exptl_absorpt_correction_T_min  0.4091
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
North A.C.T., Phillips D.C. & Mathews F.S. (1968) Acta. Cryst. A24, 351
        Number of psi-scan sets used was   3
        Theta correction was applied.
        Averaged transmission function was used.
        No Fourier smoothing was applied.
;
_exptl_crystal_colour            'COLOURLESS, TRANSPARENT'
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.059
_refine_diff_density_min         -6.047
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.258
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         5054
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.258
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0638
_refine_ls_shift/su_max          0.208
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1566
_refine_ls_wR_factor_ref         0.1619
_reflns_number_gt                4787
_reflns_number_total             5054
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            904429Isup1.cif
_cod_data_source_block           wdiol
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-08-02
;
_cod_original_cell_volume        1440.9(14)
_cod_original_sg_symbol_Hall     P-1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7027583
#BEGIN Tags that were not found in dictionaries:
_exptl_absorpt_factor_mur        0.443
_exptl_absorpt_correction_t_ave  0.5529
_diffrn_standards_decay_corr_max 1.08
_diffrn_standards_decay_corr_min 0.997
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W 0 0 0 0.0488(2) Uani 1 2 d S
Si1 Si -0.00439(17) -0.17391(19) -0.24582(14) 0.0211(4) Uani 1 1 d .
Si2 Si -0.23958(17) -0.04898(19) -0.17377(14) 0.0215(4) Uani 1 1 d .
O1 O 0.0415(5) -0.1246(5) -0.1268(4) 0.0251(10) Uani 1 1 d .
O2 O -0.1497(4) -0.1374(5) -0.2578(3) 0.0240(10) Uani 1 1 d .
O3 O -0.1556(5) 0.0192(5) -0.0655(4) 0.0254(10) Uani 1 1 d .
N1 N 0.1046(8) 0.1561(6) -0.0303(5) 0.0405(17) Uani 1 1 d .
C1 C 0.1168(4) -0.0780(5) -0.3063(4) 0.0250(15) Uani 1 1 d G
C2 C 0.2502(4) -0.0716(6) -0.2868(5) 0.052(3) Uani 1 1 d G
H2 H 0.2769 -0.1174 -0.2477 0.077(16) Uiso 1 1 calc R
C3 C 0.3435(3) 0.0033(7) -0.3258(5) 0.058(3) Uani 1 1 d G
H3 H 0.4327 0.0076 -0.3128 0.077(16) Uiso 1 1 calc R
C4 C 0.3035(4) 0.0717(6) -0.3843(4) 0.0391(19) Uani 1 1 d G
H4 H 0.366 0.1218 -0.4104 0.077(16) Uiso 1 1 calc R
C5 C 0.1701(5) 0.0653(6) -0.4038(4) 0.045(2) Uani 1 1 d G
H5 H 0.1434 0.1111 -0.4429 0.077(16) Uiso 1 1 calc R
C6 C 0.0768(3) -0.0095(6) -0.3647(4) 0.040(2) Uani 1 1 d G
H6 H -0.0124 -0.0138 -0.3777 0.077(16) Uiso 1 1 calc R
C7 C -0.0164(5) -0.3623(4) -0.3083(4) 0.0261(15) Uani 1 1 d G
C8 C -0.1157(4) -0.4382(5) -0.3831(4) 0.0343(17) Uani 1 1 d G
H8 H -0.1785 -0.3963 -0.4007 0.059(13) Uiso 1 1 calc R
C9 C -0.1212(5) -0.5769(5) -0.4317(4) 0.044(2) Uani 1 1 d G
H9 H -0.1876 -0.6277 -0.4818 0.059(13) Uiso 1 1 calc R
C10 C -0.0273(6) -0.6395(4) -0.4055(4) 0.044(2) Uani 1 1 d G
H10 H -0.031 -0.7323 -0.4381 0.059(13) Uiso 1 1 calc R
C11 C 0.0720(5) -0.5636(5) -0.3307(4) 0.047(2) Uani 1 1 d G
H11 H 0.1348 -0.6055 -0.3132 0.059(13) Uiso 1 1 calc R
C12 C 0.0774(4) -0.4249(5) -0.2821(4) 0.041(2) Uani 1 1 d G
H12 H 0.1439 -0.3741 -0.2321 0.059(13) Uiso 1 1 calc R
C13 C -0.3923(3) -0.1681(4) -0.1650(4) 0.0230(14) Uani 1 1 d G
C14 C -0.3940(4) -0.3066(4) -0.1949(4) 0.0316(17) Uani 1 1 d G
H14 H -0.3215 -0.3424 -0.224 0.044(11) Uiso 1 1 calc R
C15 C -0.5040(4) -0.3917(3) -0.1813(4) 0.0367(18) Uani 1 1 d G
H15 H -0.5051 -0.4844 -0.2013 0.044(11) Uiso 1 1 calc R
C16 C -0.6124(4) -0.3383(4) -0.1379(4) 0.0359(18) Uani 1 1 d G
H16 H -0.686 -0.3952 -0.1288 0.044(11) Uiso 1 1 calc R
C17 C -0.6107(4) -0.1998(5) -0.1080(4) 0.0342(17) Uani 1 1 d G
H17 H -0.6832 -0.1641 -0.0789 0.044(11) Uiso 1 1 calc R
C18 C -0.5006(4) -0.1147(3) -0.1215(4) 0.0277(16) Uani 1 1 d G
H18 H -0.4995 -0.022 -0.1015 0.044(11) Uiso 1 1 calc R
C19 C -0.2850(5) 0.0856(4) -0.2177(3) 0.0257(15) Uani 1 1 d G
C20 C -0.3253(5) 0.1995(5) -0.1496(3) 0.0353(18) Uani 1 1 d G
H20 H -0.3289 0.2106 -0.0814 0.038(10) Uiso 1 1 calc R
C21 C -0.3601(6) 0.2967(4) -0.1834(3) 0.042(2) Uani 1 1 d G
H21 H -0.3871 0.3729 -0.1378 0.038(10) Uiso 1 1 calc R
C22 C -0.3547(6) 0.2800(5) -0.2852(4) 0.0387(19) Uani 1 1 d G
H22 H -0.3781 0.3451 -0.3078 0.038(10) Uiso 1 1 calc R
C23 C -0.3144(5) 0.1662(5) -0.3533(3) 0.0338(17) Uani 1 1 d G
H23 H -0.3108 0.155 -0.4214 0.038(10) Uiso 1 1 calc R
C24 C -0.2795(5) 0.0689(4) -0.3195(3) 0.0258(15) Uani 1 1 d G
H24 H -0.2526 -0.0073 -0.3651 0.038(10) Uiso 1 1 calc R
C25 C 0.1427(11) 0.2862(10) -0.0427(7) 0.052(2) Uani 1 1 d .
C26 C 0.0585(14) 0.2830(13) -0.1304(10) 0.078(4) Uani 1 1 d .
H26A H 0.0818 0.3675 -0.1408 0.31(9) Uiso 1 1 calc R
H26B H -0.0325 0.2696 -0.116 0.31(9) Uiso 1 1 calc R
H26C H 0.0725 0.21 -0.1904 0.31(9) Uiso 1 1 calc R
C27 C 0.2817(13) 0.3064(16) -0.0666(11) 0.094(5) Uani 1 1 d .
H27A H 0.3351 0.2902 -0.0182 0.18(5) Uiso 1 1 calc R
H27B H 0.3094 0.3978 -0.0637 0.18(5) Uiso 1 1 calc R
H27C H 0.2912 0.2443 -0.1335 0.18(5) Uiso 1 1 calc R
C28 C 0.1179(15) 0.3937(12) 0.0544(10) 0.080(4) Uani 1 1 d .
H28A H 0.1727 0.393 0.109 0.28(8) Uiso 1 1 calc R
H28B H 0.0271 0.3758 0.0682 0.28(8) Uiso 1 1 calc R
H28C H 0.1382 0.4809 0.0481 0.28(8) Uiso 1 1 calc R
C01 C -0.4892(19) -0.4319(19) -0.4814(15) 0.047(4) Uiso 0.5 1 d P
C02 C -0.395(2) -0.350(3) -0.5161(19) 0.068(6) Uiso 0.5 1 d P
C03 C -0.4763(13) -0.2826(13) -0.4483(10) 0.072(3) Uiso 1 1 d .
C04 C -0.578(3) -0.358(3) -0.4159(19) 0.072(6) Uiso 0.5 1 d P
C05 C -0.4086(11) -0.4969(11) -0.5514(8) 0.060(3) Uiso 1 1 d .
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 0 '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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.849 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-6 4 -3
-6 2 -5
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.31
0 0 -1 0.31
-1 0 0 0.25
1 0 0 0.25
0 1 0 0.12
0 -1 0 0.12
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
O1 W1 O1 180.0(3) . 2
O1 W1 O3 90.0(2) . 2
O1 W1 O3 90.0(2) 2 2
O1 W1 O3 90.0(2) . .
O1 W1 O3 90.0(2) 2 .
O3 W1 O3 180.0(3) 2 .
O1 W1 N1 90.2(2) . .
O1 W1 N1 89.8(2) 2 .
O3 W1 N1 90.3(3) 2 .
O3 W1 N1 89.7(3) . .
O1 W1 N1 89.8(2) . 2
O1 W1 N1 90.2(2) 2 2
O3 W1 N1 89.7(3) 2 2
O3 W1 N1 90.3(3) . 2
N1 W1 N1 180.0(6) . 2
O1 Si1 O2 109.5(3) . .
O1 Si1 C7 110.4(3) . .
O2 Si1 C7 108.4(2) . .
O1 Si1 C1 108.3(3) . .
O2 Si1 C1 108.3(2) . .
C7 Si1 C1 111.8(3) . .
O3 Si2 O2 108.9(3) . .
O3 Si2 C13 110.3(3) . .
O2 Si2 C13 108.0(2) . .
O3 Si2 C19 110.8(2) . .
O2 Si2 C19 108.3(2) . .
C13 Si2 C19 110.4(2) . .
Si1 O1 W1 138.2(3) . .
Si2 O2 Si1 131.2(3) . .
Si2 O3 W1 139.0(3) . .
C25 N1 W1 161.9(7) . .
C2 C1 C6 120 . .
C2 C1 Si1 117.9(3) . .
C6 C1 Si1 122.1(3) . .
C1 C2 C3 120 . .
C1 C2 H2 120 . .
C3 C2 H2 120 . .
C4 C3 C2 120 . .
C4 C3 H3 120 . .
C2 C3 H3 120 . .
C5 C4 C3 120 . .
C5 C4 H4 120 . .
C3 C4 H4 120 . .
C4 C5 C6 120 . .
C4 C5 H5 120 . .
C6 C5 H5 120 . .
C5 C6 C1 120 . .
C5 C6 H6 120 . .
C1 C6 H6 120 . .
C8 C7 C12 120 . .
C8 C7 Si1 120.3(3) . .
C12 C7 Si1 119.7(3) . .
C9 C8 C7 120 . .
C9 C8 H8 120 . .
C7 C8 H8 120 . .
C8 C9 C10 120 . .
C8 C9 H9 120 . .
C10 C9 H9 120 . .
C11 C10 C9 120 . .
C11 C10 H10 120 . .
C9 C10 H10 120 . .
C12 C11 C10 120 . .
C12 C11 H11 120 . .
C10 C11 H11 120 . .
C11 C12 C7 120 . .
C11 C12 H12 120 . .
C7 C12 H12 120 . .
C14 C13 C18 120 . .
C14 C13 Si2 120.7(2) . .
C18 C13 Si2 119.1(2) . .
C13 C14 C15 120 . .
C13 C14 H14 120 . .
C15 C14 H14 120 . .
C16 C15 C14 120 . .
C16 C15 H15 120 . .
C14 C15 H15 120 . .
C15 C16 C17 120 . .
C15 C16 H16 120 . .
C17 C16 H16 120 . .
C18 C17 C16 120 . .
C18 C17 H17 120 . .
C16 C17 H17 120 . .
C17 C18 C13 120 . .
C17 C18 H18 120 . .
C13 C18 H18 120 . .
C20 C19 C24 120 . .
C20 C19 Si2 120.7(3) . .
C24 C19 Si2 119.3(3) . .
C19 C20 C21 120 . .
C19 C20 H20 120 . .
C21 C20 H20 120 . .
C22 C21 C20 120 . .
C22 C21 H21 120 . .
C20 C21 H21 120 . .
C23 C22 C21 120 . .
C23 C22 H22 120 . .
C21 C22 H22 120 . .
C24 C23 C22 120 . .
C24 C23 H23 120 . .
C22 C23 H23 120 . .
C23 C24 C19 120 . .
C23 C24 H24 120 . .
C19 C24 H24 120 . .
N1 C25 C27 110.5(10) . .
N1 C25 C26 107.4(8) . .
C27 C25 C26 108.5(10) . .
N1 C25 C28 107.0(8) . .
C27 C25 C28 112.0(10) . .
C26 C25 C28 111.4(10) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C01 C01 C05 60.9(15) 2_444 .
C01 C01 C05 60.4(15) 2_444 2_444
C05 C01 C05 121.4(15) . 2_444
C01 C01 C02 124(2) 2_444 .
C05 C01 C02 63.2(14) . .
C05 C01 C02 174(2) 2_444 .
C01 C01 C04 122(2) 2_444 .
C05 C01 C04 174(2) . .
C05 C01 C04 61.5(14) 2_444 .
C02 C01 C04 113.5(19) . .
C01 C01 C03 174(2) 2_444 .
C05 C01 C03 119.6(15) . .
C05 C01 C03 118.7(15) 2_444 .
C02 C01 C03 56.4(13) . .
C04 C01 C03 57.2(13) . .
C03 C02 C01 64.5(14) . .
C03 C02 C05 121.5(19) . .
C01 C02 C05 57.0(13) . .
C02 C03 C04 118.5(18) . .
C02 C03 C01 59.1(14) . .
C04 C03 C01 59.5(14) . .
C03 C04 C01 63.3(14) . .
C03 C04 C05 121(2) . 2_444
C01 C04 C05 57.3(13) . 2_444
C01 C05 C01 58.6(15) . 2_444
C01 C05 C04 119.5(16) . 2_444
C01 C05 C04 61.1(14) 2_444 2_444
C01 C05 C02 59.8(13) . .
C01 C05 C02 118.2(15) 2_444 .
C04 C05 C02 178.9(17) 2_444 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 1.919(5) .
W1 O1 1.919(5) 2
W1 O3 1.932(5) 2
W1 O3 1.932(5) .
W1 N1 2.013(7) .
W1 N1 2.013(7) 2
Si1 O1 1.617(5) .
Si1 O2 1.640(5) .
Si1 C7 1.877(4) .
Si1 C1 1.883(4) .
Si2 O3 1.617(5) .
Si2 O2 1.636(5) .
Si2 C13 1.886(4) .
Si2 C19 1.888(4) .
N1 C25 1.456(11) .
C1 C2 1.39 .
C1 C6 1.39 .
C2 C3 1.39 .
C2 H2 0.93 .
C3 C4 1.39 .
C3 H3 0.93 .
C4 C5 1.39 .
C4 H4 0.93 .
C5 C6 1.39 .
C5 H5 0.93 .
C6 H6 0.93 .
C7 C8 1.39 .
C7 C12 1.39 .
C8 C9 1.39 .
C8 H8 0.93 .
C9 C10 1.39 .
C9 H9 0.93 .
C10 C11 1.39 .
C10 H10 0.93 .
C11 C12 1.39 .
C11 H11 0.93 .
C12 H12 0.93 .
C13 C14 1.39 .
C13 C18 1.39 .
C14 C15 1.39 .
C14 H14 0.93 .
C15 C16 1.39 .
C15 H15 0.93 .
C16 C17 1.39 .
C16 H16 0.93 .
C17 C18 1.39 .
C17 H17 0.93 .
C18 H18 0.93 .
C19 C20 1.39 .
C19 C24 1.39 .
C20 C21 1.39 .
C20 H20 0.93 .
C21 C22 1.39 .
C21 H21 0.93 .
C22 C23 1.39 .
C22 H22 0.93 .
C23 C24 1.39 .
C23 H23 0.93 .
C24 H24 0.93 .
C25 C27 1.473(15) .
C25 C26 1.501(15) .
C25 C28 1.503(15) .
C26 H26A 0.96 .
C26 H26B 0.96 .
C26 H26C 0.96 .
C27 H27A 0.96 .
C27 H27B 0.96 .
C27 H27C 0.96 .
C28 H28A 0.96 .
C28 H28B 0.96 .
C28 H28C 0.96 .
C01 C01 1.34(4) 2_444
C01 C05 1.37(2) .
C01 C05 1.37(2) 2_444
C01 C02 1.41(3) .
C01 C04 1.43(3) .
C01 C03 1.48(2) .
C02 C03 1.37(3) .
C02 C05 1.45(3) .
C03 C04 1.39(3) .
C04 C05 1.43(3) 2_444
C05 C01 1.37(2) 2_444
C05 C04 1.43(3) 2_444
