#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:34:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179902 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/98/7019851.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_7019851
loop_
_publ_author_name
'Boyle, Timothy J.'
'Doan, Thu Q.'
'Steele, Leigh Anna M.'
'Apblett, Christopher'
'Hoppe, Sarah M.'
'Hawthorne, Krista'
'Kalinich, Robin M.'
'Sigmund, Wolfgang M.'
_publ_section_title
;
 Tin(ii) amide/alkoxide coordination compounds for production of Sn-based
 nanowires for lithium ion battery anode materials.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9349
_journal_page_last               9364
_journal_paper_doi               10.1039/c2dt30772c
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C72 H88 O8 Sn4'
_chemical_formula_weight         1556.18
_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                101.8880(10)
_cell_angle_beta                 111.3230(10)
_cell_angle_gamma                110.8480(10)
_cell_formula_units_Z            1
_cell_length_a                   12.2459(8)
_cell_length_b                   12.5489(8)
_cell_length_c                   13.8878(9)
_cell_measurement_reflns_used    8901
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.29
_cell_measurement_theta_min      2.47
_cell_volume                     1714.48(19)
_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, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12483
_diffrn_reflns_theta_full        25.30
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    1.492
_exptl_absorpt_correction_T_max  0.799
_exptl_absorpt_correction_T_min  0.695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.139
_refine_diff_density_min         -0.833
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         6145
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0259
_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)+(0.0338P)²+0.4540P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0674
_reflns_number_gt                5482
_reflns_number_total             6145
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30772c.txt
_cod_data_source_block           9nv052m_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7019851
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
Sn1 Sn 0.198283(18) 0.115716(16) 0.207095(15) 0.02225(7) Uani 1 1 d .
Sn2 Sn 0.446334(18) 0.432931(16) 0.349718(15) 0.02161(7) Uani 1 1 d .
O1 O 0.14802(18) 0.18487(17) 0.08442(15) 0.0269(4) Uani 1 1 d .
O2 O 0.40084(18) 0.23172(16) 0.25800(15) 0.0230(4) Uani 1 1 d .
O3 O 0.25826(18) 0.30163(17) 0.32663(15) 0.0230(4) Uani 1 1 d .
O4 O 0.54771(18) 0.42510(16) 0.50553(15) 0.0229(4) Uani 1 1 d .
C1 C 0.0264(3) 0.1718(2) 0.0211(2) 0.0253(6) Uani 1 1 d .
C2 C -0.0852(3) 0.1065(3) 0.0315(2) 0.0300(7) Uani 1 1 d .
H2 H -0.0776 0.0668 0.0814 0.036 Uiso 1 1 calc R
C3 C -0.2067(3) 0.0999(3) -0.0311(3) 0.0359(7) Uani 1 1 d .
H3 H -0.2799 0.0560 -0.0232 0.043 Uiso 1 1 calc R
C4 C -0.2187(3) 0.1587(3) -0.1055(3) 0.0440(9) Uani 1 1 d .
H4 H -0.2995 0.1561 -0.1468 0.053 Uiso 1 1 calc R
C5 C -0.1097(3) 0.2214(3) -0.1176(3) 0.0453(9) Uani 1 1 d .
H5 H -0.1185 0.2613 -0.1673 0.054 Uiso 1 1 calc R
C6 C 0.0144(3) 0.2274(3) -0.0579(3) 0.0357(8) Uani 1 1 d .
C7 C 0.1322(3) 0.2944(4) -0.0731(3) 0.0507(10) Uani 1 1 d .
H7 H 0.1884 0.2547 -0.0537 0.061 Uiso 1 1 calc R
C8 C 0.2150(4) 0.4256(4) 0.0053(3) 0.0718(10) Uani 1 1 d .
H8A H 0.1617 0.4670 -0.0054 0.108 Uiso 1 1 calc R
H8B H 0.2874 0.4646 -0.0090 0.108 Uiso 1 1 calc R
H8C H 0.2497 0.4301 0.0809 0.108 Uiso 1 1 calc R
C9 C 0.0979(4) 0.2833(4) -0.1920(3) 0.0718(10) Uani 1 1 d .
H9A H 0.0541 0.3316 -0.2113 0.108 Uiso 1 1 calc R
H9B H 0.0399 0.1983 -0.2420 0.108 Uiso 1 1 calc R
H9C H 0.1779 0.3129 -0.1982 0.108 Uiso 1 1 calc R
C10 C 0.4770(3) 0.1868(2) 0.2283(2) 0.0226(6) Uani 1 1 d .
C11 C 0.5172(3) 0.1135(2) 0.2793(2) 0.0258(6) Uani 1 1 d .
H11 H 0.4944 0.0974 0.3336 0.031 Uiso 1 1 calc R
C12 C 0.5905(3) 0.0641(3) 0.2507(3) 0.0306(7) Uani 1 1 d .
H12 H 0.6173 0.0154 0.2857 0.037 Uiso 1 1 calc R
C13 C 0.6237(3) 0.0876(3) 0.1695(3) 0.0360(7) Uani 1 1 d .
H13 H 0.6722 0.0539 0.1489 0.043 Uiso 1 1 calc R
C14 C 0.5849(3) 0.1611(3) 0.1190(3) 0.0319(7) Uani 1 1 d .
H14 H 0.6094 0.1774 0.0655 0.038 Uiso 1 1 calc R
C15 C 0.5102(3) 0.2116(3) 0.1459(2) 0.0256(6) Uani 1 1 d .
C16 C 0.4716(3) 0.2944(3) 0.0907(3) 0.0334(7) Uani 1 1 d .
H16 H 0.4006 0.3013 0.1040 0.040 Uiso 1 1 calc R
C17 C 0.5907(4) 0.4240(4) 0.1449(3) 0.0555(7) Uani 1 1 d .
H17A H 0.6237 0.4550 0.2244 0.083 Uiso 1 1 calc R
H17B H 0.5634 0.4780 0.1149 0.083 Uiso 1 1 calc R
H17C H 0.6597 0.4201 0.1293 0.083 Uiso 1 1 calc R
C18 C 0.4201(4) 0.2434(4) -0.0351(3) 0.0555(7) Uani 1 1 d .
H18A H 0.4880 0.2356 -0.0501 0.083 Uiso 1 1 calc R
H18B H 0.3966 0.2987 -0.0658 0.083 Uiso 1 1 calc R
H18C H 0.3431 0.1638 -0.0689 0.083 Uiso 1 1 calc R
C19 C 0.1522(3) 0.3268(3) 0.3098(2) 0.0256(6) Uani 1 1 d .
C20 C 0.1289(3) 0.3969(3) 0.2467(2) 0.0330(7) Uani 1 1 d .
H20 H 0.1855 0.4280 0.2180 0.040 Uiso 1 1 calc R
C21 C 0.0231(3) 0.4208(3) 0.2264(3) 0.0443(9) Uani 1 1 d .
H21 H 0.0084 0.4682 0.1847 0.053 Uiso 1 1 calc R
C22 C -0.0609(3) 0.3737(3) 0.2686(3) 0.0514(10) Uani 1 1 d .
H22 H -0.1326 0.3894 0.2557 0.062 Uiso 1 1 calc R
C23 C -0.0386(3) 0.3034(3) 0.3298(3) 0.0472(9) Uani 1 1 d .
H23 H -0.0968 0.2717 0.3570 0.057 Uiso 1 1 calc R
C24 C 0.0684(3) 0.2777(3) 0.3531(3) 0.0331(7) Uani 1 1 d .
C25 C 0.0905(3) 0.2000(3) 0.4204(3) 0.0390(8) Uani 1 1 d .
H25 H 0.1620 0.1843 0.4166 0.047 Uiso 1 1 calc R
C26 C -0.0322(4) 0.0745(4) 0.3718(4) 0.0801(15) Uani 1 1 d .
H26A H -0.1029 0.0862 0.3784 0.120 Uiso 1 1 calc R
H26B H -0.0110 0.0249 0.4122 0.120 Uiso 1 1 calc R
H26C H -0.0599 0.0335 0.2943 0.120 Uiso 1 1 calc R
C27 C 0.1375(4) 0.2692(4) 0.5437(3) 0.0635(11) Uani 1 1 d .
H27A H 0.2159 0.3466 0.5724 0.095 Uiso 1 1 calc R
H27B H 0.1575 0.2203 0.5854 0.095 Uiso 1 1 calc R
H27C H 0.0687 0.2842 0.5508 0.095 Uiso 1 1 calc R
C28 C 0.6155(3) 0.3575(3) 0.5254(2) 0.0255(6) Uani 1 1 d .
C29 C 0.7231(3) 0.3834(3) 0.5054(3) 0.0337(7) Uani 1 1 d .
H29 H 0.7456 0.4421 0.4750 0.040 Uiso 1 1 calc R
C30 C 0.7971(3) 0.3221(3) 0.5304(3) 0.0449(9) Uani 1 1 d .
H30 H 0.8698 0.3401 0.5175 0.054 Uiso 1 1 calc R
C31 C 0.7630(4) 0.2343(3) 0.5745(3) 0.0511(10) Uani 1 1 d .
H31 H 0.8126 0.1929 0.5915 0.061 Uiso 1 1 calc R
C32 C 0.6553(3) 0.2080(3) 0.5933(3) 0.0416(8) Uani 1 1 d .
H32 H 0.6337 0.1487 0.6233 0.050 Uiso 1 1 calc R
C33 C 0.5769(3) 0.2673(3) 0.5688(2) 0.0297(7) Uani 1 1 d .
C34 C 0.4573(3) 0.2335(3) 0.5879(2) 0.0332(7) Uani 1 1 d .
H34 H 0.4129 0.2804 0.5601 0.040 Uiso 1 1 calc R
C35 C 0.3576(4) 0.0962(3) 0.5225(3) 0.0433(8) Uani 1 1 d .
H35A H 0.3312 0.0759 0.4442 0.065 Uiso 1 1 calc R
H35B H 0.2808 0.0785 0.5331 0.065 Uiso 1 1 calc R
H35C H 0.3980 0.0479 0.5489 0.065 Uiso 1 1 calc R
C36 C 0.4972(4) 0.2686(3) 0.7133(3) 0.0494(9) Uani 1 1 d .
H36A H 0.5390 0.2222 0.7423 0.074 Uiso 1 1 calc R
H36B H 0.4193 0.2502 0.7223 0.074 Uiso 1 1 calc R
H36C H 0.5583 0.3554 0.7533 0.074 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
O1 Sn1 O2 87.85(7) .
O1 Sn1 O3 85.33(7) .
O2 Sn1 O3 72.55(7) .
O4 Sn2 O3 90.74(7) .
O4 Sn2 O2 89.89(7) .
O3 Sn2 O2 70.03(7) .
O4 Sn2 O4 69.23(7) 2_666
O3 Sn2 O4 87.22(7) 2_666
O2 Sn2 O4 149.15(6) 2_666
C1 O1 Sn1 126.88(17) .
C10 O2 Sn1 121.93(15) .
C10 O2 Sn2 131.44(16) .
Sn1 O2 Sn2 106.38(7) .
C19 O3 Sn2 122.94(16) .
C19 O3 Sn1 113.37(15) .
Sn2 O3 Sn1 108.42(7) .
C28 O4 Sn2 126.12(16) .
C28 O4 Sn2 122.75(15) 2_666
Sn2 O4 Sn2 110.77(7) 2_666
O1 C1 C2 122.8(3) .
O1 C1 C6 117.4(3) .
C2 C1 C6 119.8(3) .
C3 C2 C1 121.2(3) .
C3 C2 H2 119.4 .
C1 C2 H2 119.4 .
C4 C3 C2 119.8(3) .
C4 C3 H3 120.1 .
C2 C3 H3 120.1 .
C5 C4 C3 119.3(3) .
C5 C4 H4 120.4 .
C3 C4 H4 120.4 .
C4 C5 C6 122.6(3) .
C4 C5 H5 118.7 .
C6 C5 H5 118.7 .
C1 C6 C5 117.2(3) .
C1 C6 C7 120.6(3) .
C5 C6 C7 122.1(3) .
C8 C7 C6 112.7(3) .
C8 C7 C9 110.7(3) .
C6 C7 C9 114.4(3) .
C8 C7 H7 106.1 .
C6 C7 H7 106.1 .
C9 C7 H7 106.1 .
C7 C8 H8A 109.5 .
C7 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C7 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C7 C9 H9A 109.5 .
C7 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C7 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
O2 C10 C11 118.9(2) .
O2 C10 C15 120.9(2) .
C11 C10 C15 120.2(3) .
C12 C11 C10 121.1(3) .
C12 C11 H11 119.4 .
C10 C11 H11 119.4 .
C11 C12 C13 119.3(3) .
C11 C12 H12 120.3 .
C13 C12 H12 120.3 .
C14 C13 C12 119.9(3) .
C14 C13 H13 120.0 .
C12 C13 H13 120.0 .
C13 C14 C15 121.9(3) .
C13 C14 H14 119.0 .
C15 C14 H14 119.0 .
C14 C15 C10 117.5(3) .
C14 C15 C16 120.7(3) .
C10 C15 C16 121.7(3) .
C15 C16 C18 112.8(3) .
C15 C16 C17 109.8(3) .
C18 C16 C17 109.9(3) .
C15 C16 H16 108.0 .
C18 C16 H16 108.0 .
C17 C16 H16 108.0 .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C16 C18 H18A 109.5 .
C16 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C16 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C20 C19 O3 119.5(3) .
C20 C19 C24 121.1(3) .
O3 C19 C24 119.4(3) .
C21 C20 C19 120.8(3) .
C21 C20 H20 119.6 .
C19 C20 H20 119.6 .
C20 C21 C22 119.3(3) .
C20 C21 H21 120.4 .
C22 C21 H21 120.4 .
C23 C22 C21 119.9(3) .
C23 C22 H22 120.1 .
C21 C22 H22 120.1 .
C22 C23 C24 122.7(3) .
C22 C23 H23 118.7 .
C24 C23 H23 118.7 .
C19 C24 C23 116.3(3) .
C19 C24 C25 122.1(3) .
C23 C24 C25 121.6(3) .
C24 C25 C26 112.2(3) .
C24 C25 C27 111.4(3) .
C26 C25 C27 111.3(3) .
C24 C25 H25 107.2 .
C26 C25 H25 107.2 .
C27 C25 H25 107.2 .
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 .
O4 C28 C29 118.9(3) .
O4 C28 C33 119.6(3) .
C29 C28 C33 121.4(3) .
C30 C29 C28 120.2(3) .
C30 C29 H29 119.9 .
C28 C29 H29 119.9 .
C31 C30 C29 119.9(3) .
C31 C30 H30 120.1 .
C29 C30 H30 120.1 .
C32 C31 C30 119.8(3) .
C32 C31 H31 120.1 .
C30 C31 H31 120.1 .
C31 C32 C33 122.4(3) .
C31 C32 H32 118.8 .
C33 C32 H32 118.8 .
C32 C33 C28 116.3(3) .
C32 C33 C34 120.8(3) .
C28 C33 C34 122.9(3) .
C33 C34 C35 111.5(3) .
C33 C34 C36 112.0(3) .
C35 C34 C36 110.2(3) .
C33 C34 H34 107.7 .
C35 C34 H34 107.7 .
C36 C34 H34 107.7 .
C34 C35 H35A 109.5 .
C34 C35 H35B 109.5 .
H35A C35 H35B 109.5 .
C34 C35 H35C 109.5 .
H35A C35 H35C 109.5 .
H35B C35 H35C 109.5 .
C34 C36 H36A 109.5 .
C34 C36 H36B 109.5 .
H36A C36 H36B 109.5 .
C34 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
Sn1 O1 2.0642(18) .
Sn1 O2 2.1219(18) .
Sn1 O3 2.2442(18) .
Sn2 O4 2.1104(18) .
Sn2 O3 2.1601(18) .
Sn2 O2 2.3379(18) .
Sn2 O4 2.3549(18) 2_666
O1 C1 1.354(3) .
O2 C10 1.384(3) .
O3 C19 1.394(3) .
O4 C28 1.384(3) .
O4 Sn2 2.3550(18) 2_666
C1 C2 1.398(4) .
C1 C6 1.407(4) .
C2 C3 1.385(4) .
C2 H2 0.9300 .
C3 C4 1.384(5) .
C3 H3 0.9300 .
C4 C5 1.379(5) .
C4 H4 0.9300 .
C5 C6 1.407(4) .
C5 H5 0.9300 .
C6 C7 1.505(4) .
C7 C8 1.481(5) .
C7 C9 1.510(5) .
C7 H7 0.9800 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C11 1.388(4) .
C10 C15 1.403(4) .
C11 C12 1.378(4) .
C11 H11 0.9300 .
C12 C13 1.382(4) .
C12 H12 0.9300 .
C13 C14 1.380(4) .
C13 H13 0.9300 .
C14 C15 1.393(4) .
C14 H14 0.9300 .
C15 C16 1.518(4) .
C16 C18 1.521(5) .
C16 C17 1.532(5) .
C16 H16 0.9800 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.391(4) .
C19 C24 1.395(4) .
C20 C21 1.376(4) .
C20 H20 0.9300 .
C21 C22 1.378(5) .
C21 H21 0.9300 .
C22 C23 1.373(5) .
C22 H22 0.9300 .
C23 C24 1.401(4) .
C23 H23 0.9300 .
C24 C25 1.508(4) .
C25 C26 1.528(5) .
C25 C27 1.526(5) .
C25 H25 0.9800 .
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 C29 1.385(4) .
C28 C33 1.405(4) .
C29 C30 1.383(4) .
C29 H29 0.9300 .
C30 C31 1.379(5) .
C30 H30 0.9300 .
C31 C32 1.375(5) .
C31 H31 0.9300 .
C32 C33 1.403(4) .
C32 H32 0.9300 .
C33 C34 1.510(4) .
C34 C35 1.529(4) .
C34 C36 1.542(4) .
C34 H34 0.9800 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
