#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:01:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179947 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/42/7024207.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_7024207
loop_
_publ_author_name
'Portius, Peter'
'Davis, Martin'
_publ_section_title
;
 A new hexakis(isocyanato)silicate(IV) and the first neutral Lewis-base
 adducts of silicon tetraisocyanate.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              527
_journal_page_last               532
_journal_paper_doi               10.1039/b912736d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         '2(C36 H30 N P2), C6 N6 S6 Si, 2(C2 H3 N)'
_chemical_formula_sum            'C82 H66 N10 P4 S6 Si'
_chemical_formula_weight         1535.78
_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                100.540(2)
_cell_angle_beta                 102.120(2)
_cell_angle_gamma                96.806(2)
_cell_formula_units_Z            1
_cell_length_a                   10.7540(4)
_cell_length_b                   13.4160(6)
_cell_length_c                   14.4498(5)
_cell_measurement_reflns_used    9985
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.33
_cell_measurement_theta_min      2.16
_cell_volume                     1977.01(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            33304
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         1.48
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.320
_exptl_absorpt_correction_T_max  0.9566
_exptl_absorpt_correction_T_min  0.9417
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             798
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.641
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         8974
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0372
_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)+(0.0440P)²+0.7175P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0968
_reflns_number_gt                7406
_reflns_number_total             8974
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b912736d.txt
_cod_data_source_block           ch1ppx75_0m
_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 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1977.01(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7024207
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Si1 Si 0.5000 1.0000 0.0000 0.02045(14) Uani 1 2 d S
P1 P 0.31840(4) 0.68070(3) 0.34130(3) 0.01538(9) Uani 1 1 d .
P2 P 0.08796(4) 0.78241(3) 0.29552(3) 0.01475(9) Uani 1 1 d .
S1 S 0.86494(4) 1.23891(3) 0.06448(3) 0.02817(11) Uani 1 1 d .
S2 S 0.37092(7) 1.30078(5) 0.12107(4) 0.05078(17) Uani 1 1 d .
S3 S 0.62359(5) 0.94311(4) 0.30871(3) 0.03425(12) Uani 1 1 d .
N1 N 0.65492(13) 1.08199(11) 0.01900(10) 0.0245(3) Uani 1 1 d .
N2 N 0.43045(13) 1.11319(11) 0.04125(10) 0.0248(3) Uani 1 1 d .
N3 N 0.54388(14) 0.98198(11) 0.12461(10) 0.0256(3) Uani 1 1 d .
N4 N 0.23412(12) 0.76877(10) 0.32877(9) 0.0184(3) Uani 1 1 d .
N5 N 0.2588(2) 0.56236(19) 0.65821(13) 0.0547(5) Uani 1 1 d .
C1 C 0.74334(15) 1.14802(13) 0.03735(11) 0.0204(3) Uani 1 1 d .
C2 C 0.40439(17) 1.19218(15) 0.07365(12) 0.0262(4) Uani 1 1 d .
C3 C 0.57710(15) 0.96524(13) 0.20195(12) 0.0233(4) Uani 1 1 d .
C4 C 0.23049(14) 0.55580(12) 0.33733(11) 0.0173(3) Uani 1 1 d .
C5 C 0.20931(15) 0.47607(13) 0.25557(11) 0.0198(3) Uani 1 1 d .
H5 H 0.2446 0.4861 0.2023 0.024 Uiso 1 1 calc R
C6 C 0.13624(15) 0.38191(14) 0.25244(13) 0.0240(4) Uani 1 1 d .
H6 H 0.1209 0.3280 0.1967 0.029 Uiso 1 1 calc R
C7 C 0.08589(16) 0.36676(14) 0.33052(13) 0.0268(4) Uani 1 1 d .
H7 H 0.0360 0.3025 0.3280 0.032 Uiso 1 1 calc R
C8 C 0.10805(17) 0.44525(15) 0.41253(13) 0.0285(4) Uani 1 1 d .
H8 H 0.0747 0.4341 0.4663 0.034 Uiso 1 1 calc R
C9 C 0.17876(16) 0.53985(14) 0.41584(12) 0.0227(3) Uani 1 1 d .
H9 H 0.1921 0.5939 0.4713 0.027 Uiso 1 1 calc R
C10 C 0.43220(14) 0.71870(13) 0.45743(11) 0.0182(3) Uani 1 1 d .
C11 C 0.48420(16) 0.64533(14) 0.50481(12) 0.0248(4) Uani 1 1 d .
H11 H 0.4572 0.5742 0.4768 0.030 Uiso 1 1 calc R
C12 C 0.57520(16) 0.67641(15) 0.59272(12) 0.0288(4) Uani 1 1 d .
H12 H 0.6102 0.6266 0.6247 0.035 Uiso 1 1 calc R
C13 C 0.61460(16) 0.77976(15) 0.63349(12) 0.0264(4) Uani 1 1 d .
H13 H 0.6769 0.8007 0.6935 0.032 Uiso 1 1 calc R
C14 C 0.56391(16) 0.85354(15) 0.58746(12) 0.0257(4) Uani 1 1 d .
H14 H 0.5915 0.9245 0.6161 0.031 Uiso 1 1 calc R
C15 C 0.47243(15) 0.82317(13) 0.49917(11) 0.0214(3) Uani 1 1 d .
H15 H 0.4376 0.8734 0.4676 0.026 Uiso 1 1 calc R
C16 C 0.40912(14) 0.66232(12) 0.24983(11) 0.0174(3) Uani 1 1 d .
C17 C 0.51261(16) 0.60794(14) 0.26247(13) 0.0266(4) Uani 1 1 d .
H17 H 0.5367 0.5833 0.3202 0.032 Uiso 1 1 calc R
C18 C 0.57983(17) 0.59010(16) 0.19064(14) 0.0332(4) Uani 1 1 d .
H18 H 0.6491 0.5521 0.1987 0.040 Uiso 1 1 calc R
C19 C 0.54620(17) 0.62765(15) 0.10671(13) 0.0309(4) Uani 1 1 d .
H19 H 0.5931 0.6158 0.0580 0.037 Uiso 1 1 calc R
C20 C 0.44455(17) 0.68219(14) 0.09419(12) 0.0271(4) Uani 1 1 d .
H20 H 0.4221 0.7080 0.0369 0.033 Uiso 1 1 calc R
C21 C 0.37500(15) 0.69941(13) 0.16523(11) 0.0210(3) Uani 1 1 d .
H21 H 0.3047 0.7362 0.1562 0.025 Uiso 1 1 calc R
C22 C 0.08693(15) 0.89299(12) 0.24079(11) 0.0177(3) Uani 1 1 d .
C23 C 0.19877(16) 0.93684(13) 0.21945(11) 0.0214(3) Uani 1 1 d .
H23 H 0.2776 0.9125 0.2387 0.026 Uiso 1 1 calc R
C24 C 0.19447(18) 1.01672(13) 0.16960(12) 0.0265(4) Uani 1 1 d .
H24 H 0.2704 1.0465 0.1545 0.032 Uiso 1 1 calc R
C25 C 0.07960(19) 1.05259(14) 0.14207(13) 0.0308(4) Uani 1 1 d .
H25 H 0.0770 1.1067 0.1078 0.037 Uiso 1 1 calc R
C26 C -0.03166(18) 1.00994(15) 0.16429(13) 0.0311(4) Uani 1 1 d .
H26 H -0.1098 1.0355 0.1458 0.037 Uiso 1 1 calc R
C27 C -0.02925(16) 0.92999(13) 0.21347(12) 0.0238(4) Uani 1 1 d .
H27 H -0.1055 0.9006 0.2285 0.029 Uiso 1 1 calc R
C28 C -0.01296(14) 0.67712(12) 0.20528(11) 0.0173(3) Uani 1 1 d .
C29 C -0.02909(16) 0.68146(14) 0.10721(12) 0.0246(4) Uani 1 1 d .
H29 H 0.0058 0.7419 0.0898 0.030 Uiso 1 1 calc R
C30 C -0.09596(18) 0.59759(15) 0.03586(12) 0.0305(4) Uani 1 1 d .
H30 H -0.1070 0.6007 -0.0305 0.037 Uiso 1 1 calc R
C31 C -0.14695(16) 0.50896(14) 0.06078(13) 0.0265(4) Uani 1 1 d .
H31 H -0.1925 0.4517 0.0115 0.032 Uiso 1 1 calc R
C32 C -0.13158(15) 0.50388(13) 0.15761(12) 0.0222(3) Uani 1 1 d .
H32 H -0.1663 0.4430 0.1744 0.027 Uiso 1 1 calc R
C33 C -0.06537(14) 0.58789(13) 0.23006(12) 0.0190(3) Uani 1 1 d .
H33 H -0.0558 0.5847 0.2963 0.023 Uiso 1 1 calc R
C34 C 0.01524(15) 0.80780(12) 0.39729(11) 0.0180(3) Uani 1 1 d .
C35 C -0.11777(15) 0.78501(13) 0.38744(12) 0.0216(3) Uani 1 1 d .
H35 H -0.1726 0.7507 0.3266 0.026 Uiso 1 1 calc R
C36 C -0.16967(16) 0.81296(14) 0.46741(12) 0.0256(4) Uani 1 1 d .
H36 H -0.2598 0.7965 0.4612 0.031 Uiso 1 1 calc R
C37 C -0.09035(17) 0.86452(14) 0.55565(12) 0.0253(4) Uani 1 1 d .
H37 H -0.1264 0.8839 0.6096 0.030 Uiso 1 1 calc R
C38 C 0.04187(17) 0.88818(14) 0.56581(12) 0.0254(4) Uani 1 1 d .
H38 H 0.0959 0.9239 0.6265 0.031 Uiso 1 1 calc R
C39 C 0.09495(16) 0.85937(13) 0.48694(11) 0.0222(3) Uani 1 1 d .
H39 H 0.1854 0.8747 0.4940 0.027 Uiso 1 1 calc R
C40 C 0.3116(2) 0.76076(18) 0.71762(16) 0.0443(5) Uani 1 1 d .
H40A H 0.3137 0.7927 0.6621 0.067 Uiso 1 1 calc R
H40B H 0.3957 0.7798 0.7640 0.067 Uiso 1 1 calc R
H40C H 0.2450 0.7846 0.7491 0.067 Uiso 1 1 calc R
C41 C 0.2826(2) 0.6499(2) 0.68462(14) 0.0384(5) Uani 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 0.0000 0.0000 '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'
Si Si 0.0817 0.0704 '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'
S S 0.1246 0.1234 '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
N1 Si1 N1 180.00(9) . 2_675
N1 Si1 N2 90.41(6) . 2_675
N1 Si1 N2 89.59(6) 2_675 2_675
N1 Si1 N2 89.59(6) . .
N1 Si1 N2 90.41(6) 2_675 .
N2 Si1 N2 180.00(9) 2_675 .
N1 Si1 N3 90.11(6) . .
N1 Si1 N3 89.89(6) 2_675 .
N2 Si1 N3 89.94(7) 2_675 .
N2 Si1 N3 90.06(7) . .
N1 Si1 N3 89.89(6) . 2_675
N1 Si1 N3 90.11(6) 2_675 2_675
N2 Si1 N3 90.06(7) 2_675 2_675
N2 Si1 N3 89.94(7) . 2_675
N3 Si1 N3 180.00(9) . 2_675
N4 P1 C16 111.30(7) . .
N4 P1 C10 108.50(7) . .
C16 P1 C10 107.54(7) . .
N4 P1 C4 115.85(7) . .
C16 P1 C4 106.52(7) . .
C10 P1 C4 106.75(7) . .
N4 P2 C28 115.14(7) . .
N4 P2 C34 111.58(7) . .
C28 P2 C34 108.95(7) . .
N4 P2 C22 107.06(7) . .
C28 P2 C22 106.03(7) . .
C34 P2 C22 107.66(7) . .
C1 N1 Si1 168.20(14) . .
C2 N2 Si1 170.13(15) . .
C3 N3 Si1 175.12(15) . .
P1 N4 P2 139.97(9) . .
N1 C1 S1 179.03(15) . .
N2 C2 S2 178.44(17) . .
N3 C3 S3 179.53(18) . .
C5 C4 C9 119.57(15) . .
C5 C4 P1 120.90(12) . .
C9 C4 P1 119.49(13) . .
C6 C5 C4 119.84(15) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C7 C6 C5 120.16(16) . .
C7 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
C6 C7 C8 120.28(16) . .
C6 C7 H7 119.9 . .
C8 C7 H7 119.9 . .
C9 C8 C7 120.09(16) . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C8 C9 C4 120.04(16) . .
C8 C9 H9 120.0 . .
C4 C9 H9 120.0 . .
C15 C10 C11 119.57(15) . .
C15 C10 P1 119.30(12) . .
C11 C10 P1 121.10(13) . .
C12 C11 C10 120.17(17) . .
C12 C11 H11 119.9 . .
C10 C11 H11 119.9 . .
C13 C12 C11 119.95(16) . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C12 C13 C14 120.61(16) . .
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
C13 C14 C15 119.91(17) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C14 C15 C10 119.79(16) . .
C14 C15 H15 120.1 . .
C10 C15 H15 120.1 . .
C21 C16 C17 119.78(14) . .
C21 C16 P1 120.59(12) . .
C17 C16 P1 119.60(12) . .
C18 C17 C16 119.91(16) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C19 120.22(16) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C20 C19 C18 120.10(16) . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C19 C20 C21 120.27(16) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
C20 C21 C16 119.72(15) . .
C20 C21 H21 120.1 . .
C16 C21 H21 120.1 . .
C23 C22 C27 120.14(15) . .
C23 C22 P2 120.08(12) . .
C27 C22 P2 119.62(12) . .
C22 C23 C24 119.70(16) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C25 C24 C23 120.08(16) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C26 120.36(16) . .
C24 C25 H25 119.8 . .
C26 C25 H25 119.8 . .
C25 C26 C27 120.32(17) . .
C25 C26 H26 119.8 . .
C27 C26 H26 119.8 . .
C26 C27 C22 119.39(16) . .
C26 C27 H27 120.3 . .
C22 C27 H27 120.3 . .
C33 C28 C29 119.53(15) . .
C33 C28 P2 121.62(12) . .
C29 C28 P2 118.59(12) . .
C30 C29 C28 119.91(16) . .
C30 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C29 C30 C31 120.35(16) . .
C29 C30 H30 119.8 . .
C31 C30 H30 119.8 . .
C30 C31 C32 120.19(16) . .
C30 C31 H31 119.9 . .
C32 C31 H31 119.9 . .
C31 C32 C33 120.04(16) . .
C31 C32 H32 120.0 . .
C33 C32 H32 120.0 . .
C32 C33 C28 119.97(15) . .
C32 C33 H33 120.0 . .
C28 C33 H33 120.0 . .
C35 C34 C39 119.69(14) . .
C35 C34 P2 122.21(12) . .
C39 C34 P2 117.91(12) . .
C36 C35 C34 119.70(15) . .
C36 C35 H35 120.1 . .
C34 C35 H35 120.1 . .
C37 C36 C35 120.27(15) . .
C37 C36 H36 119.9 . .
C35 C36 H36 119.9 . .
C36 C37 C38 120.36(15) . .
C36 C37 H37 119.8 . .
C38 C37 H37 119.8 . .
C37 C38 C39 119.89(16) . .
C37 C38 H38 120.1 . .
C39 C38 H38 120.1 . .
C38 C39 C34 120.08(15) . .
C38 C39 H39 120.0 . .
C34 C39 H39 120.0 . .
C41 C40 H40A 109.5 . .
C41 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C41 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
N5 C41 C40 179.5(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 N1 1.8232(14) .
Si1 N1 1.8232(14) 2_675
Si1 N2 1.8292(15) 2_675
Si1 N2 1.8292(15) .
Si1 N3 1.8311(14) .
Si1 N3 1.8311(14) 2_675
P1 N4 1.5854(13) .
P1 C16 1.7996(15) .
P1 C10 1.8029(16) .
P1 C4 1.8086(16) .
P2 N4 1.5868(13) .
P2 C28 1.8006(16) .
P2 C34 1.8036(15) .
P2 C22 1.8044(16) .
S1 C1 1.6070(17) .
S2 C2 1.608(2) .
S3 C3 1.6114(17) .
N1 C1 1.170(2) .
N2 C2 1.168(2) .
N3 C3 1.170(2) .
N5 C41 1.146(3) .
C4 C5 1.400(2) .
C4 C9 1.403(2) .
C5 C6 1.394(2) .
C5 H5 0.9500 .
C6 C7 1.386(2) .
C6 H6 0.9500 .
C7 C8 1.391(3) .
C7 H7 0.9500 .
C8 C9 1.388(2) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 C15 1.397(2) .
C10 C11 1.402(2) .
C11 C12 1.390(2) .
C11 H11 0.9500 .
C12 C13 1.381(3) .
C12 H12 0.9500 .
C13 C14 1.391(3) .
C13 H13 0.9500 .
C14 C15 1.396(2) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C21 1.398(2) .
C16 C17 1.400(2) .
C17 C18 1.386(2) .
C17 H17 0.9500 .
C18 C19 1.392(3) .
C18 H18 0.9500 .
C19 C20 1.385(3) .
C19 H19 0.9500 .
C20 C21 1.394(2) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.394(2) .
C22 C27 1.405(2) .
C23 C24 1.396(2) .
C23 H23 0.9500 .
C24 C25 1.386(3) .
C24 H24 0.9500 .
C25 C26 1.389(3) .
C25 H25 0.9500 .
C26 C27 1.391(2) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 C33 1.400(2) .
C28 C29 1.404(2) .
C29 C30 1.385(2) .
C29 H29 0.9500 .
C30 C31 1.389(3) .
C30 H30 0.9500 .
C31 C32 1.389(2) .
C31 H31 0.9500 .
C32 C33 1.392(2) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 C35 1.398(2) .
C34 C39 1.399(2) .
C35 C36 1.396(2) .
C35 H35 0.9500 .
C36 C37 1.383(2) .
C36 H36 0.9500 .
C37 C38 1.390(2) .
C37 H37 0.9500 .
C38 C39 1.392(2) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 C41 1.451(3) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
