#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:51:17 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178704 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/15/4081597.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_4081597
loop_
_publ_author_name
'Thirumoorthi, Ramalingam'
'Chivers, Tristram'
'Gendy, Chris'
'Vargas-Baca, Ignacio'
_publ_section_title
;
 CH--NH Tautomerism in the Products of the Reactions of the Methanide
 [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5360
_journal_paper_doi               10.1021/om400649c
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         '2(C31 H39 I2 N2 P2 Sb Si2), C7 H8'
_chemical_formula_sum            'C69 H86 I4 N4 P4 Sb2 Si4'
_chemical_formula_weight         1958.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000(11)
_cell_angle_beta                 115.1230(10)
_cell_angle_gamma                90.0000(11)
_cell_formula_units_Z            4
_cell_length_a                   25.5020(3)
_cell_length_b                   12.9220(4)
_cell_length_c                   26.5560(7)
_cell_measurement_reflns_used    26151
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      1.8
_cell_volume                     7923.3(3)
_computing_cell_refinement       'DENZO (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius, 1999)'
_computing_data_reduction        'Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'KappaCCD (Nonius, FR540C)'
_diffrn_measurement_method       'phiω scans'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'Enraf Nonius FR590D, fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0510
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            25191
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    2.421
_exptl_absorpt_correction_T_max  0.8488
_exptl_absorpt_correction_T_min  0.6980
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (SHELXTL-NT v5.1, Bruker)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3832
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.670
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     405
_refine_ls_number_reflns         8494
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0482
_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)+(0.0000P)²+92.4868P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0935
_reflns_number_gt                7030
_reflns_number_total             8494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400649c_si_001.cif
_cod_data_source_block           compound[(t-SbI2)2]
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_database_code               4081597
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Sb1 Sb 0.458116(16) 0.33199(3) 0.477531(15) 0.02048(9) Uani 1 1 d .
I1 I 0.402718(19) 0.20582(3) 0.537586(16) 0.03146(11) Uani 1 1 d .
I2 I 0.529142(16) 0.47373(3) 0.434328(17) 0.02740(10) Uani 1 1 d .
P1 P 0.38168(6) 0.27172(11) 0.36866(6) 0.0186(3) Uani 1 1 d .
P2 P 0.32163(6) 0.44306(11) 0.40841(6) 0.0191(3) Uani 1 1 d .
N1 N 0.44281(19) 0.2229(3) 0.41173(18) 0.0193(9) Uani 1 1 d .
N2 N 0.3206(2) 0.4463(4) 0.4694(2) 0.0229(11) Uani 1 1 d .
H2A H 0.336(3) 0.409(5) 0.484(3) 0.03(2) Uiso 1 1 d .
Si1 Si 0.49238(7) 0.13207(12) 0.40901(7) 0.0218(3) Uani 1 1 d .
Si2 Si 0.29304(7) 0.52960(13) 0.50469(7) 0.0278(4) Uani 1 1 d .
C1 C 0.3250(2) 0.1767(4) 0.3476(2) 0.0200(11) Uani 1 1 d .
C2 C 0.3279(2) 0.1009(4) 0.3858(2) 0.0246(12) Uani 1 1 d .
H2 H 0.3591 0.0993 0.4206 0.029 Uiso 1 1 calc R
C3 C 0.2844(3) 0.0279(5) 0.3721(3) 0.0291(13) Uani 1 1 d .
H3 H 0.2868 -0.0233 0.3976 0.035 Uiso 1 1 calc R
C4 C 0.2379(3) 0.0305(5) 0.3211(3) 0.0316(14) Uani 1 1 d .
H4 H 0.2088 -0.0191 0.3121 0.038 Uiso 1 1 calc R
C5 C 0.2339(2) 0.1064(5) 0.2830(3) 0.0295(14) Uani 1 1 d .
H5 H 0.2019 0.1087 0.2487 0.035 Uiso 1 1 calc R
C6 C 0.2775(2) 0.1788(4) 0.2961(2) 0.0245(12) Uani 1 1 d .
H6 H 0.2751 0.2293 0.2703 0.029 Uiso 1 1 calc R
C7 C 0.3853(2) 0.3115(4) 0.3049(2) 0.0228(12) Uani 1 1 d .
C8 C 0.3835(3) 0.2383(5) 0.2661(3) 0.0347(15) Uani 1 1 d .
H8 H 0.3752 0.1696 0.2702 0.042 Uiso 1 1 calc R
C9 C 0.3943(3) 0.2678(6) 0.2212(3) 0.0451(18) Uani 1 1 d .
H9 H 0.3940 0.2189 0.1954 0.054 Uiso 1 1 calc R
C10 C 0.4055(3) 0.3708(7) 0.2150(3) 0.051(2) Uani 1 1 d .
H10 H 0.4129 0.3904 0.1850 0.061 Uiso 1 1 calc R
C11 C 0.4058(3) 0.4438(6) 0.2522(3) 0.0405(17) Uani 1 1 d .
H11 H 0.4122 0.5130 0.2470 0.049 Uiso 1 1 calc R
C12 C 0.3965(2) 0.4140(5) 0.2977(3) 0.0310(14) Uani 1 1 d .
H12 H 0.3977 0.4632 0.3237 0.037 Uiso 1 1 calc R
C13 C 0.2532(2) 0.3961(4) 0.3573(2) 0.0236(12) Uani 1 1 d .
C14 C 0.2320(3) 0.4274(5) 0.3025(3) 0.0312(14) Uani 1 1 d .
H14 H 0.2533 0.4725 0.2911 0.037 Uiso 1 1 calc R
C15 C 0.1782(3) 0.3903(6) 0.2642(3) 0.0434(18) Uani 1 1 d .
H15 H 0.1635 0.4108 0.2271 0.052 Uiso 1 1 calc R
C16 C 0.1475(3) 0.3242(6) 0.2814(3) 0.052(2) Uani 1 1 d .
H16 H 0.1116 0.3004 0.2558 0.063 Uiso 1 1 calc R
C17 C 0.1685(3) 0.2921(6) 0.3355(3) 0.0436(17) Uani 1 1 d .
H17 H 0.1472 0.2458 0.3463 0.052 Uiso 1 1 calc R
C18 C 0.2213(3) 0.3283(5) 0.3743(3) 0.0318(14) Uani 1 1 d .
H18 H 0.2354 0.3076 0.4113 0.038 Uiso 1 1 calc R
C19 C 0.3259(2) 0.5757(4) 0.3893(2) 0.0221(12) Uani 1 1 d .
C20 C 0.2781(3) 0.6406(4) 0.3681(2) 0.0260(13) Uani 1 1 d .
H20 H 0.2416 0.6149 0.3611 0.031 Uiso 1 1 calc R
C21 C 0.2846(3) 0.7431(5) 0.3573(3) 0.0334(15) Uani 1 1 d .
H21 H 0.2524 0.7863 0.3432 0.040 Uiso 1 1 calc R
C22 C 0.3385(3) 0.7818(5) 0.3675(3) 0.0343(15) Uani 1 1 d .
H22 H 0.3428 0.8512 0.3607 0.041 Uiso 1 1 calc R
C23 C 0.3858(3) 0.7182(5) 0.3877(3) 0.0342(15) Uani 1 1 d .
H23 H 0.4220 0.7439 0.3937 0.041 Uiso 1 1 calc R
C24 C 0.3798(3) 0.6149(4) 0.3992(2) 0.0267(13) Uani 1 1 d .
H24 H 0.4121 0.5722 0.4135 0.032 Uiso 1 1 calc R
C25 C 0.3774(2) 0.3694(4) 0.4106(2) 0.0184(11) Uani 1 1 d .
C26 C 0.4539(3) 0.0097(4) 0.3778(3) 0.0302(14) Uani 1 1 d .
H26A H 0.4313 -0.0120 0.3971 0.045 Uiso 1 1 calc R
H26B H 0.4817 -0.0430 0.3811 0.045 Uiso 1 1 calc R
H26C H 0.4289 0.0208 0.3393 0.045 Uiso 1 1 calc R
C27 C 0.5317(3) 0.1807(5) 0.3688(3) 0.0369(15) Uani 1 1 d .
H27A H 0.5054 0.1860 0.3302 0.055 Uiso 1 1 calc R
H27B H 0.5624 0.1335 0.3729 0.055 Uiso 1 1 calc R
H27C H 0.5477 0.2476 0.3825 0.055 Uiso 1 1 calc R
C28 C 0.5450(3) 0.1125(5) 0.4827(3) 0.0328(14) Uani 1 1 d .
H28A H 0.5675 0.1743 0.4964 0.049 Uiso 1 1 calc R
H28B H 0.5703 0.0559 0.4849 0.049 Uiso 1 1 calc R
H28C H 0.5244 0.0972 0.5048 0.049 Uiso 1 1 calc R
C29 C 0.3188(3) 0.4696(6) 0.5736(3) 0.0429(17) Uani 1 1 d .
H29A H 0.2968 0.4081 0.5712 0.064 Uiso 1 1 calc R
H29B H 0.3141 0.5173 0.5991 0.064 Uiso 1 1 calc R
H29C H 0.3590 0.4520 0.5865 0.064 Uiso 1 1 calc R
C30 C 0.2132(3) 0.5317(6) 0.4691(3) 0.0435(17) Uani 1 1 d .
H30A H 0.2011 0.5546 0.4315 0.065 Uiso 1 1 calc R
H30B H 0.1985 0.5782 0.4883 0.065 Uiso 1 1 calc R
H30C H 0.1984 0.4634 0.4692 0.065 Uiso 1 1 calc R
C31 C 0.3205(3) 0.6641(5) 0.5106(3) 0.0368(15) Uani 1 1 d .
H31A H 0.3621 0.6632 0.5260 0.055 Uiso 1 1 calc R
H31B H 0.3083 0.7033 0.5344 0.055 Uiso 1 1 calc R
H31C H 0.3055 0.6954 0.4744 0.055 Uiso 1 1 calc R
C32 C 0.0000 0.3591(8) 0.2500 0.039(2) Uani 1 2 d S
C33 C 0.0147(3) 0.3059(7) 0.2988(3) 0.048(2) Uani 1 1 d .
H33 H 0.0244 0.3421 0.3319 0.058 Uiso 1 1 calc R
C34 C 0.0151(4) 0.2009(8) 0.2992(5) 0.076(3) Uani 1 1 d .
H34 H 0.0255 0.1651 0.3325 0.091 Uiso 1 1 calc R
C35 C 0.0000 0.1474(10) 0.2500 0.094(6) Uani 1 2 d S
H35 H 0.0000 0.0754 0.2500 0.112 Uiso 1 2 calc SR
C36 C 0.0000 0.4760(10) 0.2500 0.080(4) Uani 1 2 d S
H36A H 0.0375 0.5007 0.2555 0.120 Uiso 0.50 1 calc PR
H36B H -0.0090 0.5007 0.2795 0.120 Uiso 0.50 1 calc PR
H36C H -0.0285 0.5007 0.2150 0.120 Uiso 0.50 1 calc PR
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'
P P 0.1023 0.0942 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
C25 Sb1 N1 72.07(18) .
C25 Sb1 P1 37.33(14) .
N1 Sb1 P1 34.74(12) .
C25 Sb1 I1 93.44(14) .
N1 Sb1 I1 96.38(11) .
P1 Sb1 I1 96.75(3) .
C25 Sb1 I2 93.82(14) .
N1 Sb1 I2 91.12(12) .
P1 Sb1 I2 92.38(3) .
I1 Sb1 I2 170.870(17) .
N1 P1 C25 97.8(2) .
N1 P1 C1 111.1(2) .
C25 P1 C1 116.1(2) .
N1 P1 C7 110.8(2) .
C25 P1 C7 116.2(3) .
C1 P1 C7 104.9(3) .
N1 P1 Sb1 49.11(16) .
C25 P1 Sb1 48.69(18) .
C1 P1 Sb1 128.46(18) .
C7 P1 Sb1 126.33(19) .
N2 P2 C25 110.4(3) .
N2 P2 C13 109.7(3) .
C25 P2 C13 111.6(3) .
N2 P2 C19 106.5(3) .
C25 P2 C19 113.2(3) .
C13 P2 C19 105.3(3) .
P1 N1 Si1 136.7(3) .
P1 N1 Sb1 96.1(2) .
Si1 N1 Sb1 126.1(2) .
P2 N2 Si2 136.4(4) .
P2 N2 H2A 108(6) .
Si2 N2 H2A 115(7) .
N1 Si1 C27 111.9(3) .
N1 Si1 C26 109.6(2) .
C27 Si1 C26 110.1(3) .
N1 Si1 C28 105.0(2) .
C27 Si1 C28 109.0(3) .
C26 Si1 C28 111.1(3) .
N2 Si2 C29 102.6(3) .
N2 Si2 C30 109.9(3) .
C29 Si2 C30 111.5(3) .
N2 Si2 C31 113.4(3) .
C29 Si2 C31 110.4(3) .
C30 Si2 C31 109.0(3) .
C2 C1 C6 119.0(5) .
C2 C1 P1 118.0(4) .
C6 C1 P1 122.9(4) .
C3 C2 C1 120.1(5) .
C3 C2 H2 119.9 .
C1 C2 H2 119.9 .
C4 C3 C2 120.3(6) .
C4 C3 H3 119.8 .
C2 C3 H3 119.8 .
C3 C4 C5 120.3(6) .
C3 C4 H4 119.9 .
C5 C4 H4 119.9 .
C4 C5 C6 119.8(6) .
C4 C5 H5 120.1 .
C6 C5 H5 120.1 .
C5 C6 C1 120.4(5) .
C5 C6 H6 119.8 .
C1 C6 H6 119.8 .
C12 C7 C8 119.5(6) .
C12 C7 P1 119.8(5) .
C8 C7 P1 120.3(5) .
C9 C8 C7 119.8(7) .
C9 C8 H8 120.1 .
C7 C8 H8 120.1 .
C8 C9 C10 119.6(7) .
C8 C9 H9 120.2 .
C10 C9 H9 120.2 .
C11 C10 C9 121.1(6) .
C11 C10 H10 119.4 .
C9 C10 H10 119.4 .
C10 C11 C12 119.3(7) .
C10 C11 H11 120.3 .
C12 C11 H11 120.3 .
C11 C12 C7 120.7(6) .
C11 C12 H12 119.7 .
C7 C12 H12 119.7 .
C14 C13 C18 120.3(6) .
C14 C13 P2 121.0(5) .
C18 C13 P2 118.6(5) .
C13 C14 C15 119.3(6) .
C13 C14 H14 120.3 .
C15 C14 H14 120.3 .
C16 C15 C14 119.8(7) .
C16 C15 H15 120.1 .
C14 C15 H15 120.1 .
C15 C16 C17 121.2(6) .
C15 C16 H16 119.4 .
C17 C16 H16 119.4 .
C16 C17 C18 120.2(7) .
C16 C17 H17 119.9 .
C18 C17 H17 119.9 .
C17 C18 C13 119.2(6) .
C17 C18 H18 120.4 .
C13 C18 H18 120.4 .
C24 C19 C20 119.2(5) .
C24 C19 P2 118.0(4) .
C20 C19 P2 122.7(4) .
C21 C20 C19 120.1(6) .
C21 C20 H20 119.9 .
C19 C20 H20 119.9 .
C22 C21 C20 120.3(6) .
C22 C21 H21 119.9 .
C20 C21 H21 119.9 .
C23 C22 C21 119.9(6) .
C23 C22 H22 120.0 .
C21 C22 H22 120.0 .
C22 C23 C24 120.1(6) .
C22 C23 H23 119.9 .
C24 C23 H23 119.9 .
C19 C24 C23 120.3(6) .
C19 C24 H24 119.9 .
C23 C24 H24 119.9 .
P2 C25 P1 132.5(3) .
P2 C25 Sb1 131.1(3) .
P1 C25 Sb1 94.0(2) .
Si1 C26 H26A 109.5 .
Si1 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
Si1 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
Si1 C27 H27A 109.5 .
Si1 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
Si1 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
Si1 C28 H28A 109.5 .
Si1 C28 H28B 109.5 .
H28A C28 H28B 109.5 .
Si1 C28 H28C 109.5 .
H28A C28 H28C 109.5 .
H28B C28 H28C 109.5 .
Si2 C29 H29A 109.5 .
Si2 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
Si2 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
Si2 C30 H30A 109.5 .
Si2 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
Si2 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
Si2 C31 H31A 109.5 .
Si2 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
Si2 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
C33 C32 C33 119.9(11) 2
C33 C32 C36 120.1(5) 2
C33 C32 C36 120.1(5) .
C34 C33 C32 120.4(9) .
C34 C33 H33 119.8 .
C32 C33 H33 119.8 .
C33 C34 C35 119.7(10) .
C33 C34 H34 120.2 .
C35 C34 H34 120.2 .
C34 C35 C34 119.9(13) 2
C34 C35 H35 120.0 2
C34 C35 H35 120.0 .
C32 C36 H36A 109.5 .
C32 C36 H36B 109.5 .
H36A C36 H36B 109.5 .
C32 C36 H36C 109.5 .
H36A C36 H36C 109.5 .
H36B C36 H36C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 C25 2.127(5) .
Sb1 N1 2.148(4) .
Sb1 P1 2.8249(14) .
Sb1 I1 3.0184(5) .
Sb1 I2 3.1171(5) .
P1 N1 1.619(5) .
P1 C25 1.717(5) .
P1 C1 1.795(5) .
P1 C7 1.808(5) .
P2 N2 1.631(5) .
P2 C25 1.691(5) .
P2 C13 1.801(6) .
P2 C19 1.804(6) .
N1 Si1 1.749(5) .
N2 Si2 1.758(5) .
N2 H2A 0.64(6) .
Si1 C27 1.857(6) .
Si1 C26 1.860(6) .
Si1 C28 1.862(6) .
Si2 C29 1.832(7) .
Si2 C30 1.846(7) .
Si2 C31 1.856(7) .
C1 C2 1.390(8) .
C1 C6 1.390(7) .
C2 C3 1.381(8) .
C2 H2 0.9300 .
C3 C4 1.372(9) .
C3 H3 0.9300 .
C4 C5 1.380(9) .
C4 H4 0.9300 .
C5 C6 1.381(8) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C12 1.385(8) .
C7 C8 1.387(8) .
C8 C9 1.385(9) .
C8 H8 0.9300 .
C9 C10 1.385(11) .
C9 H9 0.9300 .
C10 C11 1.363(11) .
C10 H10 0.9300 .
C11 C12 1.381(8) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.381(8) .
C13 C18 1.394(8) .
C14 C15 1.401(9) .
C14 H14 0.9300 .
C15 C16 1.362(11) .
C15 H15 0.9300 .
C16 C17 1.368(11) .
C16 H16 0.9300 .
C17 C18 1.385(9) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C24 1.380(8) .
C19 C20 1.387(8) .
C20 C21 1.381(8) .
C20 H20 0.9300 .
C21 C22 1.379(9) .
C21 H21 0.9300 .
C22 C23 1.366(9) .
C22 H22 0.9300 .
C23 C24 1.391(8) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 C33 1.372(9) 2
C32 C33 1.372(9) .
C32 C36 1.511(16) .
C33 C34 1.357(12) .
C33 H33 0.9300 .
C34 C35 1.381(12) .
C34 H34 0.9300 .
C35 C34 1.381(12) 2
C35 H35 0.9300 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
