#------------------------------------------------------------------------------
#$Date: 2025-08-19 13:43:10 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301803 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/82/2208215.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2208215
loop_
_publ_author_name
'Gang Li'
'Handong Yin'
'Min Hong'
'Daqi Wang'
_publ_section_title
;
 Di-μ₂-chloro-dichlorooctakis(2-fluorobenzyl)di-μ₃-oxo-tetratin(IV)
 dihydrate
;
_journal_coeditor_code           XU6073
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m371
_journal_page_last               m372
_journal_paper_doi               10.1107/S1600536806000407
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn4 (C7 H6 F)8 Cl4 O2], 2H2 O'
_chemical_formula_moiety         'C56 H48 Cl4 F8 O2 Sn4, 2H2 O'
_chemical_formula_sum            'C56 H52 Cl4 F8 O4 Sn4'
_chemical_formula_weight         1557.54
_chemical_name_systematic
;
Di-μ₂-chloro-dichlorooctakis(2-fluorobenzyl)di-μ₃-oxo-tetratin(IV)
dihydrate
;
_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                104.983(2)
_cell_angle_beta                 107.084(2)
_cell_angle_gamma                91.115(2)
_cell_formula_units_Z            1
_cell_length_a                   10.6243(17)
_cell_length_b                   10.8750(18)
_cell_length_c                   14.157(2)
_cell_measurement_reflns_used    5183
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.7
_cell_volume                     1502.3(4)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.014
_diffrn_reflns_av_sigmaI/netI    0.029
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7857
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.1
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.889
_exptl_absorpt_correction_T_max  0.546
_exptl_absorpt_correction_T_min  0.480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         5182
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.037
_refine_ls_R_factor_gt           0.027
_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)+(0.0324P)²+1.4097P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.064
_refine_ls_wR_factor_ref         0.071
_reflns_number_gt                4257
_reflns_number_total             5182
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            xu6073.cif
_cod_data_source_block           I
_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_enum 1527 2010-12-29 10:47:43Z saulius 

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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2208215
_cod_database_fobs_code          2208215
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Sn1 0.65679(3) 0.35797(3) 0.33972(2) 0.03337(9) Uani d . 1 . . Sn
Sn2 0.35408(2) 0.48810(2) 0.408121(19) 0.02968(9) Uani d . 1 . . Sn
Cl1 0.46152(11) 0.32122(11) 0.19276(8) 0.0478(3) Uani d . 1 . . Cl
Cl2 0.15626(10) 0.57782(11) 0.46275(8) 0.0419(2) Uani d . 1 . . Cl
F1 0.7968(6) 0.0706(6) 0.1948(5) 0.112(3) Uani d PU 0.717(11) A 1 F
F2 0.8888(6) 0.3204(5) 0.2024(5) 0.116(2) Uani d PD 0.813(10) B 2 F
F3 0.4385(3) 0.1730(3) 0.4654(3) 0.0698(12) Uani d P 0.914(8) C 3 F
F4 0.1341(3) 0.4973(3) 0.1847(3) 0.0726(13) Uani d P 0.912(9) D 4 F
F1' 0.4449(14) 0.0472(14) 0.2954(12) 0.106(7) Uani d P 0.283(11) A 5 F
F2' 0.6180(16) 0.6329(16) 0.2060(13) 0.066(7) Uani d P 0.187(10) B 6 F
F3' 0.006(2) 0.280(3) 0.3909(15) 0.041(10) Uani d PDU 0.086(8) C 7 F
F4' 0.349(3) 0.871(3) 0.414(3) 0.074(15) Uani d P 0.088(9) D 8 F
O1 0.5577(2) 0.4460(3) 0.43605(19) 0.0316(6) Uani d . 1 . . O
O2 0.1091(8) 0.1331(11) 0.0528(7) 0.105(3) Uani d PU 0.54 . . O
H1 0.1347 0.0593 0.0588 0.126 Uiso d RD 1 . . H
H2 0.0278 0.1144 0.0495 0.126 Uiso d RD 1 . . H
O2' 0.0776(12) 0.0712(13) 0.0807(10) 0.125(5) Uani d PDU 0.46 . . O
C1 0.6854(5) 0.1653(4) 0.3467(4) 0.0528(12) Uani d . 1 . . C
H1A 0.7798 0.1576 0.3660 0.063 Uiso calc R 1 . . H
H1B 0.6541 0.1512 0.4012 0.063 Uiso calc R 1 . . H
C2 0.6199(5) 0.0617(4) 0.2514(4) 0.0524(12) Uani d . 1 A . C
C3 0.6795(7) 0.0160(6) 0.1766(5) 0.0767(17) Uani d . 1 . . C
H3 0.7639 0.0526 0.1865 0.092 Uiso calc PR 0.283(11) A 5 H
C4 0.6207(10) -0.0812(6) 0.0878(5) 0.100(2) Uani d . 1 A . C
H4 0.6651 -0.1088 0.0397 0.119 Uiso calc R 1 . . H
C5 0.4973(9) -0.1360(7) 0.0715(5) 0.094(2) Uani d . 1 . . C
H5 0.4563 -0.2010 0.0119 0.113 Uiso calc R 1 A . H
C6 0.4339(7) -0.0950(6) 0.1435(6) 0.088(2) Uani d . 1 A . C
H6 0.3501 -0.1333 0.1330 0.106 Uiso calc R 1 . . H
C7 0.4936(6) 0.0040(5) 0.2324(5) 0.0698(15) Uani d . 1 . . C
H7 0.4482 0.0318 0.2798 0.084 Uiso calc PR 0.717(11) A 1 H
C8 0.7736(5) 0.4980(5) 0.3112(4) 0.0567(13) Uani d . 1 . . C
H8A 0.7511 0.5822 0.3408 0.068 Uiso calc R 1 . . H
H8B 0.8661 0.4939 0.3462 0.068 Uiso calc R 1 . . H
C9 0.7564(5) 0.4827(5) 0.2006(3) 0.0469(11) Uani d . 1 B . C
C10 0.8156(6) 0.3941(6) 0.1463(4) 0.0663(15) Uani d . 1 . . C
H10 0.8679 0.3411 0.1797 0.080 Uiso calc PR 0.187(10) B 6 H
C11 0.8020(8) 0.3786(7) 0.0424(6) 0.097(2) Uani d . 1 B . C
H11 0.8436 0.3168 0.0071 0.116 Uiso calc R 1 . . H
C12 0.7246(9) 0.4583(9) -0.0053(5) 0.097(2) Uani d U 1 . . C
H12 0.7135 0.4501 -0.0743 0.116 Uiso calc R 1 B . H
C13 0.6659(7) 0.5457(9) 0.0443(6) 0.095(3) Uani d . 1 B . C
H13 0.6148 0.5989 0.0103 0.115 Uiso calc R 1 . . H
C14 0.6794(5) 0.5595(7) 0.1467(5) 0.0716(17) Uani d . 1 . . C
H14 0.6361 0.6213 0.1803 0.086 Uiso calc PR 0.813(10) B 2 H
C15 0.2532(4) 0.2977(4) 0.3494(3) 0.0415(10) Uani d . 1 . . C
H15A 0.1695 0.2990 0.2984 0.050 Uiso calc R 1 . . H
H15B 0.3058 0.2421 0.3147 0.050 Uiso calc R 1 . . H
C16 0.2263(4) 0.2411(4) 0.4273(3) 0.0385(10) Uani d . 1 C . C
C17 0.3206(4) 0.1812(4) 0.4851(4) 0.0458(11) Uani d . 1 . . C
H17 0.4022 0.1768 0.4733 0.055 Uiso calc PR 0.086(8) C 7 H
C18 0.3021(5) 0.1277(5) 0.5587(4) 0.0584(13) Uani d . 1 C . C
H18 0.3699 0.0903 0.5962 0.070 Uiso calc R 1 . . H
C19 0.1814(6) 0.1308(5) 0.5757(4) 0.0605(14) Uani d . 1 . . C
H19 0.1658 0.0938 0.6240 0.073 Uiso calc R 1 C . H
C20 0.0844(5) 0.1886(5) 0.5210(4) 0.0570(13) Uani d . 1 C . C
H20 0.0027 0.1916 0.5327 0.068 Uiso calc R 1 . . H
C21 0.1065(5) 0.2424(4) 0.4483(4) 0.0490(11) Uani d D 1 . . C
H21 0.0387 0.2811 0.4121 0.059 Uiso calc PR 0.914(8) C 3 H
C22 0.3690(4) 0.6216(4) 0.3229(3) 0.0414(10) Uani d . 1 . . C
H22A 0.4431 0.6854 0.3642 0.050 Uiso calc R 1 . . H
H22B 0.3895 0.5762 0.2615 0.050 Uiso calc R 1 . . H
C23 0.2501(4) 0.6893(4) 0.2913(3) 0.0377(10) Uani d . 1 D . C
C24 0.1350(5) 0.6258(4) 0.2204(4) 0.0463(11) Uani d . 1 . . C
H24 0.1319 0.5377 0.1940 0.056 Uiso calc PR 0.088(9) D 8 H
C25 0.0231(5) 0.6837(6) 0.1854(4) 0.0625(14) Uani d . 1 D . C
H25 -0.0517 0.6368 0.1349 0.075 Uiso calc R 1 . . H
C26 0.0256(6) 0.8134(6) 0.2276(5) 0.0728(17) Uani d . 1 . . C
H26 -0.0489 0.8548 0.2062 0.087 Uiso calc R 1 D . H
C27 0.1355(6) 0.8807(5) 0.2999(5) 0.0767(17) Uani d . 1 D . C
H27 0.1363 0.9681 0.3279 0.092 Uiso calc R 1 . . H
C28 0.2479(6) 0.8196(5) 0.3329(4) 0.0587(13) Uani d . 1 . . C
H28 0.3224 0.8669 0.3836 0.070 Uiso calc PR 0.912(9) D 4 H
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Sn1 C8 . . 109.63(17) y
O1 Sn1 C1 . . 111.86(16) y
C8 Sn1 C1 . . 132.0(2) y
O1 Sn1 Cl1 . . 91.90(8) y
C8 Sn1 Cl1 . . 101.02(14) y
C1 Sn1 Cl1 . . 100.62(13) y
O1 Sn1 Cl2 . 2_666 74.74(7) y
C8 Sn1 Cl2 . 2_666 85.12(13) y
C1 Sn1 Cl2 . 2_666 83.51(13) y
Cl1 Sn1 Cl2 . 2_666 166.57(4) y
O1 Sn2 C22 2_666 . 115.25(15) y
O1 Sn2 C15 2_666 . 117.14(14) y
C22 Sn2 C15 . . 127.58(17) y
O1 Sn2 O1 2_666 . 73.92(11) y
C22 Sn2 O1 . . 94.98(13) y
C15 Sn2 O1 . . 100.59(14) y
O1 Sn2 Cl2 2_666 . 80.21(7) y
C22 Sn2 Cl2 . . 95.83(12) y
C15 Sn2 Cl2 . . 91.25(12) y
O1 Sn2 Cl2 . . 154.13(7) y
Sn2 Cl2 Sn1 . 2_666 82.79(3) y
Sn1 O1 Sn2 . 2_666 122.25(12) y
Sn1 O1 Sn2 . . 131.65(12) y
Sn2 O1 Sn2 2_666 . 106.08(10) y
O2' O2 H1 . . 48.5 ?
O2' O2 H2 . . 53.0 ?
H1 O2 H2 . . 95.2 ?
O2 O2' H1 . . 59.2 ?
O2 O2' H2 . . 57.5 ?
H1 O2' H2 . . 108.4 ?
C2 C1 Sn1 . . 116.7(3) ?
C2 C1 H1A . . 108.1 ?
Sn1 C1 H1A . . 108.1 ?
C2 C1 H1B . . 108.1 ?
Sn1 C1 H1B . . 108.1 ?
H1A C1 H1B . . 107.3 ?
C3 C2 C7 . . 115.7(5) ?
C3 C2 C1 . . 122.7(5) ?
C7 C2 C1 . . 121.6(5) ?
F1 C3 C2 . . 115.3(6) ?
F1 C3 C4 . . 121.1(7) ?
C2 C3 C4 . . 123.6(7) ?
C2 C3 H3 . . 118.2 ?
C4 C3 H3 . . 118.2 ?
C5 C4 C3 . . 119.3(7) ?
C5 C4 H4 . . 120.3 ?
C3 C4 H4 . . 120.3 ?
C4 C5 C6 . . 119.5(6) ?
C4 C5 H5 . . 120.2 ?
C6 C5 H5 . . 120.2 ?
C5 C6 C7 . . 120.7(7) ?
C5 C6 H6 . . 119.7 ?
C7 C6 H6 . . 119.7 ?
F1' C7 C2 . . 113.9(9) ?
F1' C7 C6 . . 125.0(10) ?
C2 C7 C6 . . 121.1(6) ?
C2 C7 H7 . . 119.4 ?
C6 C7 H7 . . 119.4 ?
C9 C8 Sn1 . . 114.4(3) ?
C9 C8 H8A . . 108.7 ?
Sn1 C8 H8A . . 108.7 ?
C9 C8 H8B . . 108.7 ?
Sn1 C8 H8B . . 108.7 ?
H8A C8 H8B . . 107.6 ?
C10 C9 C14 . . 115.9(5) ?
C10 C9 C8 . . 122.2(5) ?
C14 C9 C8 . . 121.9(5) ?
C9 C10 F2 . . 113.6(5) ?
C9 C10 C11 . . 123.3(6) ?
F2 C10 C11 . . 123.1(7) ?
C9 C10 H10 . . 118.3 ?
C11 C10 H10 . . 118.3 ?
C12 C11 C10 . . 117.3(7) ?
C12 C11 H11 . . 121.4 ?
C10 C11 H11 . . 121.4 ?
C13 C12 C11 . . 121.6(7) ?
C13 C12 H12 . . 119.2 ?
C11 C12 H12 . . 119.2 ?
C12 C13 C14 . . 120.6(7) ?
C12 C13 H13 . . 119.7 ?
C14 C13 H13 . . 119.7 ?
F2' C14 C13 . . 129.0(9) ?
F2' C14 C9 . . 109.4(8) ?
C13 C14 C9 . . 121.3(7) ?
C13 C14 H14 . . 119.3 ?
C9 C14 H14 . . 119.3 ?
C16 C15 Sn2 . . 115.5(3) ?
C16 C15 H15A . . 108.4 ?
Sn2 C15 H15A . . 108.4 ?
C16 C15 H15B . . 108.4 ?
Sn2 C15 H15B . . 108.4 ?
H15A C15 H15B . . 107.5 ?
C17 C16 C21 . . 114.3(4) ?
C17 C16 C15 . . 121.9(4) ?
C21 C16 C15 . . 123.8(4) ?
F3 C17 C18 . . 118.3(4) ?
F3 C17 C16 . . 117.0(4) ?
C18 C17 C16 . . 124.7(4) ?
C18 C17 H17 . . 117.7 ?
C16 C17 H17 . . 117.7 ?
C19 C18 C17 . . 118.5(5) ?
C19 C18 H18 . . 120.7 ?
C17 C18 H18 . . 120.7 ?
C20 C19 C18 . . 119.5(5) ?
C20 C19 H19 . . 120.2 ?
C18 C19 H19 . . 120.2 ?
C19 C20 C21 . . 120.5(5) ?
C19 C20 H20 . . 119.7 ?
C21 C20 H20 . . 119.7 ?
F3' C21 C20 . . 116.7(12) ?
F3' C21 C16 . . 120.2(11) ?
C20 C21 C16 . . 122.5(4) ?
C20 C21 H21 . . 118.8 ?
C16 C21 H21 . . 118.8 ?
C23 C22 Sn2 . . 116.3(3) ?
C23 C22 H22A . . 108.2 ?
Sn2 C22 H22A . . 108.2 ?
C23 C22 H22B . . 108.2 ?
Sn2 C22 H22B . . 108.2 ?
H22A C22 H22B . . 107.4 ?
C24 C23 C28 . . 115.9(4) ?
C24 C23 C22 . . 121.6(4) ?
C28 C23 C22 . . 122.5(4) ?
F4 C24 C23 . . 116.0(4) ?
F4 C24 C25 . . 119.7(5) ?
C23 C24 C25 . . 124.3(5) ?
C23 C24 H24 . . 117.9 ?
C25 C24 H24 . . 117.9 ?
C24 C25 C26 . . 117.9(5) ?
C24 C25 H25 . . 121.0 ?
C26 C25 H25 . . 121.0 ?
C27 C26 C25 . . 120.4(5) ?
C27 C26 H26 . . 119.8 ?
C25 C26 H26 . . 119.8 ?
C26 C27 C28 . . 120.4(5) ?
C26 C27 H27 . . 119.8 ?
C28 C27 H27 . . 119.8 ?
F4' C28 C23 . . 113.9(14) ?
F4' C28 C27 . . 124.2(13) ?
C23 C28 C27 . . 121.0(5) ?
C23 C28 H28 . . 119.5 ?
C27 C28 H28 . . 119.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 O1 . 2.023(2) y
Sn1 C8 . 2.135(5) y
Sn1 C1 . 2.146(4) y
Sn1 Cl1 . 2.4071(12) y
Sn1 Cl2 2_666 2.8152(11) y
Sn2 O1 2_666 2.049(2) y
Sn2 C22 . 2.144(4) y
Sn2 C15 . 2.151(4) y
Sn2 O1 . 2.162(2) y
Sn2 Cl2 . 2.5713(11) y
Cl2 Sn1 2_666 2.8152(11) ?
F1 C3 . 1.295(8) ?
F2 C10 . 1.367(7) ?
F3 C17 . 1.361(5) ?
F4 C24 . 1.356(5) ?
F1' C7 . 1.160(13) ?
F2' C14 . 1.327(16) ?
F3' C21 . 1.282(14) ?
F4' C28 . 1.30(3) ?
O1 Sn2 2_666 2.049(2) ?
O2 O2' . 0.964(13) ?
O2 H1 . 0.8687 ?
O2 H2 . 0.8684 ?
O2' H1 . 0.7581 ?
O2' H2 . 0.8223 ?
C1 C2 . 1.485(7) ?
C1 H1A . 0.9700 ?
C1 H1B . 0.9700 ?
C2 C3 . 1.380(8) ?
C2 C7 . 1.391(8) ?
C3 C4 . 1.384(9) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.360(10) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.368(10) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.396(8) ?
C6 H6 . 0.9300 ?
C7 H7 . 0.9300 ?
C8 C9 . 1.486(6) ?
C8 H8A . 0.9700 ?
C8 H8B . 0.9700 ?
C9 C10 . 1.357(7) ?
C9 C14 . 1.392(7) ?
C10 C11 . 1.399(9) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.374(11) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.311(11) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.382(9) ?
C13 H13 . 0.9300 ?
C14 H14 . 0.9300 ?
C15 C16 . 1.485(6) ?
C15 H15A . 0.9700 ?
C15 H15B . 0.9700 ?
C16 C17 . 1.384(6) ?
C16 C21 . 1.389(6) ?
C17 C18 . 1.376(7) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.371(7) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.366(7) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.380(6) ?
C20 H20 . 0.9300 ?
C21 H21 . 0.9300 ?
C22 C23 . 1.487(6) ?
C22 H22A . 0.9700 ?
C22 H22B . 0.9700 ?
C23 C24 . 1.367(6) ?
C23 C28 . 1.391(6) ?
C24 C25 . 1.378(7) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.378(8) ?
C25 H25 . 0.9300 ?
C26 C27 . 1.351(8) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.395(7) ?
C27 H27 . 0.9300 ?
C28 H28 . 0.9300 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139069086
