#------------------------------------------------------------------------------
#$Date: 2017-05-06 00:59:54 +0300 (Sat, 06 May 2017) $
#$Revision: 196398 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/16/7041686.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_7041686
loop_
_publ_author_name
'Han, Haixiang'
'Wei, Zheng'
'Barry, Matthew C.'
'Filatov, Alexander S.'
'Dikarev, Evgeny V.'
_publ_section_title
;
 Heterometallic molecular precursors for a lithium-iron oxide material:
 synthesis, solid state structure, solution and gas-phase behaviour, and
 thermal decomposition.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5644
_journal_page_last               5649
_journal_paper_doi               10.1039/c6dt04602a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C48 H78 Fe2 Li2 O18'
_chemical_formula_sum            'C48 H78 Fe2 Li2 O18'
_chemical_formula_weight         1068.68
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_update_record
;
2016-11-21 deposited with the CCDC.
2017-01-13 downloaded from the CCDC.
;
_cell_angle_alpha                103.777(2)
_cell_angle_beta                 106.650(2)
_cell_angle_gamma                111.299(2)
_cell_formula_units_Z            1
_cell_length_a                   11.643(2)
_cell_length_b                   12.253(2)
_cell_length_c                   12.534(2)
_cell_measurement_reflns_used    9120
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.01
_cell_measurement_theta_min      2.69
_cell_volume                     1474.2(4)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-93 (Sheldrick, 1993)'
_computing_publication_material  'SHELXCIF-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '0.3 deg wide ω exposures'
_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  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0255
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17647
_diffrn_reflns_theta_full        27.04
_diffrn_reflns_theta_max         27.04
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    0.554
_exptl_absorpt_correction_T_max  0.8693
_exptl_absorpt_correction_T_min  0.7846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS V2012/1 (Bruker AXS Inc.)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.204
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.384
_refine_diff_density_min         -0.340
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         6423
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0324
_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)+(0.0436P)²+0.5413P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0848
_reflns_number_gt                5735
_reflns_number_total             6423
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt04602a2.cif
_cod_data_source_block           LiFetbaoac3
_cod_depositor_comments
;
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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7041683--7041687.cif.
;
_cod_original_cell_volume        1474.2(5)
_cod_database_code               7041686
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
Fe1 Fe -0.096279(19) 0.850040(18) -0.022007(17) 0.01433(7) Uani 1 1 d .
Li1 Li 0.1468(2) 0.9345(2) -0.0696(2) 0.0187(5) Uani 1 1 d .
O7 O -0.10165(11) 0.63747(10) 0.20125(9) 0.0220(2) Uani 1 1 d .
O1 O -0.12103(10) 0.76151(10) 0.09766(9) 0.0197(2) Uani 1 1 d .
O2 O 0.06547(10) 0.81456(9) -0.00752(9) 0.0166(2) Uani 1 1 d .
O3 O -0.01523(10) 0.95793(9) -0.12339(8) 0.01537(19) Uani 1 1 d .
O4 O 0.16900(11) 0.89677(10) -0.21222(9) 0.0222(2) Uani 1 1 d .
O8 O 0.10987(11) 0.86701(11) -0.40872(9) 0.0257(2) Uani 1 1 d .
O5 O 0.25353(10) 1.10806(9) 0.03837(9) 0.0165(2) Uani 1 1 d .
O6 O 0.23549(10) 1.31404(9) 0.17446(9) 0.0196(2) Uani 1 1 d .
O9 O 0.43762(10) 1.47492(9) 0.31099(9) 0.0206(2) Uani 1 1 d .
C1 C 0.19002(18) 0.69861(17) -0.00579(17) 0.0317(4) Uani 1 1 d .
H1A H 0.1606 0.6703 -0.0934 0.048 Uiso 1 1 calc R
H1B H 0.1971 0.6309 0.0200 0.048 Uiso 1 1 calc R
H1C H 0.2785 0.7742 0.0340 0.048 Uiso 1 1 calc R
C2 C 0.08813(14) 0.73006(14) 0.02825(13) 0.0193(3) Uani 1 1 d .
C3 C 0.02852(15) 0.67144(14) 0.09237(14) 0.0218(3) Uani 1 1 d .
H3 H 0.0531 0.6114 0.1143 0.026 Uiso 1 1 calc R
C4 C -0.06886(14) 0.69572(13) 0.12815(12) 0.0183(3) Uani 1 1 d .
C5 C -0.20892(15) 0.64167(15) 0.24036(14) 0.0235(3) Uani 1 1 d .
C6 C -0.17688(18) 0.77722(16) 0.30844(16) 0.0306(4) Uani 1 1 d .
H6A H -0.0826 0.8239 0.3681 0.046 Uiso 1 1 calc R
H6B H -0.2371 0.7762 0.3495 0.046 Uiso 1 1 calc R
H6C H -0.1903 0.8188 0.2515 0.046 Uiso 1 1 calc R
C7 C -0.34422(16) 0.57058(17) 0.13126(15) 0.0296(4) Uani 1 1 d .
H7A H -0.3459 0.6187 0.0790 0.044 Uiso 1 1 calc R
H7B H -0.4173 0.5604 0.1581 0.044 Uiso 1 1 calc R
H7C H -0.3566 0.4869 0.0863 0.044 Uiso 1 1 calc R
C8 C -0.20239(17) 0.57174(17) 0.32578(15) 0.0311(4) Uani 1 1 d .
H8A H -0.2138 0.4877 0.2834 0.047 Uiso 1 1 calc R
H8B H -0.2747 0.5624 0.3535 0.047 Uiso 1 1 calc R
H8C H -0.1145 0.6202 0.3953 0.047 Uiso 1 1 calc R
C9 C -0.20528(15) 0.94622(15) -0.27419(13) 0.0213(3) Uani 1 1 d .
H9A H -0.2702 0.8879 -0.2534 0.032 Uiso 1 1 calc R
H9B H -0.2442 0.9255 -0.3612 0.032 Uiso 1 1 calc R
H9C H -0.1848 1.0335 -0.2307 0.032 Uiso 1 1 calc R
C10 C -0.07700(14) 0.93362(13) -0.23928(12) 0.0171(3) Uani 1 1 d .
C11 C -0.03283(15) 0.90096(14) -0.32556(13) 0.0210(3) Uani 1 1 d .
H11 H -0.0877 0.8845 -0.4058 0.025 Uiso 1 1 calc R
C12 C 0.08933(15) 0.88903(14) -0.30637(13) 0.0206(3) Uani 1 1 d .
C13 C 0.23113(17) 0.85457(17) -0.40994(14) 0.0284(3) Uani 1 1 d .
C14 C 0.2107(2) 0.8305(2) -0.54057(15) 0.0368(4) Uani 1 1 d .
H14A H 0.2885 0.8243 -0.5515 0.055 Uiso 1 1 calc R
H14B H 0.2022 0.9006 -0.5606 0.055 Uiso 1 1 calc R
H14C H 0.1281 0.7509 -0.5937 0.055 Uiso 1 1 calc R
C15 C 0.35833(19) 0.97788(19) -0.32585(17) 0.0385(4) Uani 1 1 d .
H15A H 0.3698 0.9925 -0.2423 0.058 Uiso 1 1 calc R
H15B H 0.3503 1.0482 -0.3456 0.058 Uiso 1 1 calc R
H15C H 0.4369 0.9724 -0.3354 0.058 Uiso 1 1 calc R
C16 C 0.23077(19) 0.74105(18) -0.38111(15) 0.0338(4) Uani 1 1 d .
H16A H 0.2392 0.7556 -0.2983 0.051 Uiso 1 1 calc R
H16B H 0.3071 0.7292 -0.3893 0.051 Uiso 1 1 calc R
H16C H 0.1458 0.6650 -0.4371 0.051 Uiso 1 1 calc R
C17 C 0.47124(16) 1.12995(17) 0.06825(16) 0.0316(4) Uani 1 1 d .
H17A H 0.4531 1.0518 0.0835 0.047 Uiso 1 1 calc R
H17B H 0.5663 1.1923 0.1176 0.047 Uiso 1 1 calc R
H17C H 0.4524 1.1114 -0.0172 0.047 Uiso 1 1 calc R
C18 C 0.38181(14) 1.18273(13) 0.10032(13) 0.0180(3) Uani 1 1 d .
C19 C 0.43808(14) 1.30086(14) 0.18901(13) 0.0201(3) Uani 1 1 d .
H19 H 0.5338 1.3460 0.2313 0.024 Uiso 1 1 calc R
C20 C 0.36014(14) 1.35935(13) 0.22094(12) 0.0170(3) Uani 1 1 d .
C21 C 0.37692(16) 1.55585(14) 0.34890(14) 0.0233(3) Uani 1 1 d .
C22 C 0.2789(2) 1.49377(17) 0.39949(18) 0.0382(4) Uani 1 1 d .
H22A H 0.2024 1.4153 0.3356 0.057 Uiso 1 1 calc R
H22B H 0.2456 1.5518 0.4305 0.057 Uiso 1 1 calc R
H22C H 0.3252 1.4740 0.4651 0.057 Uiso 1 1 calc R
C23 C 0.3131(2) 1.58688(17) 0.24381(16) 0.0363(4) Uani 1 1 d .
H23A H 0.3785 1.6182 0.2097 0.054 Uiso 1 1 calc R
H23B H 0.2872 1.6522 0.2723 0.054 Uiso 1 1 calc R
H23C H 0.2326 1.5102 0.1817 0.054 Uiso 1 1 calc R
C24 C 0.49975(18) 1.67439(16) 0.44832(16) 0.0344(4) Uani 1 1 d .
H24A H 0.5426 1.6520 0.5133 0.052 Uiso 1 1 calc R
H24B H 0.4712 1.7363 0.4802 0.052 Uiso 1 1 calc R
H24C H 0.5645 1.7112 0.4155 0.052 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'
Li Li -0.0003 0.0001 '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'
Fe Fe 0.3463 0.8444 '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
O5 Fe1 O2 177.49(4) 2_575 .
O5 Fe1 O1 96.38(4) 2_575 .
O2 Fe1 O1 85.88(4) . .
O5 Fe1 O6 85.55(4) 2_575 2_575
O2 Fe1 O6 95.39(4) . 2_575
O1 Fe1 O6 94.02(4) . 2_575
O5 Fe1 O3 96.09(4) 2_575 .
O2 Fe1 O3 81.53(4) . .
O1 Fe1 O3 165.31(4) . .
O6 Fe1 O3 94.66(4) 2_575 .
O5 Fe1 O3 81.07(4) 2_575 2_575
O2 Fe1 O3 97.77(4) . 2_575
O1 Fe1 O3 92.65(4) . 2_575
O6 Fe1 O3 165.63(4) 2_575 2_575
O3 Fe1 O3 81.65(4) . 2_575
O5 Fe1 Li1 40.01(5) 2_575 2_575
O2 Fe1 Li1 138.47(5) . 2_575
O1 Fe1 Li1 101.57(6) . 2_575
O6 Fe1 Li1 124.23(6) 2_575 2_575
O3 Fe1 Li1 83.20(5) . 2_575
O3 Fe1 Li1 41.70(5) 2_575 2_575
O4 Li1 O2 125.77(14) . .
O4 Li1 O5 114.72(13) . .
O2 Li1 O5 117.67(13) . .
O4 Li1 O3 99.91(12) . .
O2 Li1 O3 91.87(11) . .
O5 Li1 O3 91.50(11) . .
O4 Li1 Fe1 122.10(11) . 2_575
O2 Li1 Fe1 105.32(10) . 2_575
O5 Li1 Fe1 43.48(6) . 2_575
O3 Li1 Fe1 48.78(6) . 2_575
C4 O7 C5 121.05(11) . .
C4 O1 Fe1 128.07(9) . .
C2 O2 Li1 137.22(11) . .
C2 O2 Fe1 127.20(9) . .
Li1 O2 Fe1 95.50(8) . .
C10 O3 Li1 118.72(11) . .
C10 O3 Fe1 126.16(8) . .
Li1 O3 Fe1 89.21(8) . .
C10 O3 Fe1 124.55(8) . 2_575
Li1 O3 Fe1 89.52(8) . 2_575
Fe1 O3 Fe1 98.35(4) . 2_575
C12 O4 Li1 121.97(12) . .
C12 O8 C13 120.72(12) . .
C18 O5 Li1 134.84(11) . .
C18 O5 Fe1 128.58(9) . 2_575
Li1 O5 Fe1 96.51(8) . 2_575
C20 O6 Fe1 128.29(9) . 2_575
C20 O9 C21 120.77(11) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O2 C2 C3 125.37(13) . .
O2 C2 C1 114.64(13) . .
C3 C2 C1 119.99(13) . .
C2 C3 C4 123.54(13) . .
C2 C3 H3 118.2 . .
C4 C3 H3 118.2 . .
O1 C4 O7 121.18(13) . .
O1 C4 C3 126.31(13) . .
O7 C4 C3 112.51(12) . .
O7 C5 C7 109.13(12) . .
O7 C5 C6 111.70(12) . .
C7 C5 C6 112.44(14) . .
O7 C5 C8 101.64(12) . .
C7 C5 C8 111.45(13) . .
C6 C5 C8 109.99(14) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 H9A 109.5 . .
C10 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C10 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O3 C10 C11 125.46(13) . .
O3 C10 C9 115.29(12) . .
C11 C10 C9 119.24(13) . .
C10 C11 C12 126.05(13) . .
C10 C11 H11 117.0 . .
C12 C11 H11 117.0 . .
O4 C12 O8 121.44(13) . .
O4 C12 C11 127.52(13) . .
O8 C12 C11 111.05(12) . .
O8 C13 C16 110.24(13) . .
O8 C13 C15 110.21(13) . .
C16 C13 C15 113.23(15) . .
O8 C13 C14 102.13(12) . .
C16 C13 C14 110.12(14) . .
C15 C13 C14 110.36(15) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O5 C18 C19 125.46(13) . .
O5 C18 C17 114.35(13) . .
C19 C18 C17 120.19(13) . .
C18 C19 C20 123.40(13) . .
C18 C19 H19 118.3 . .
C20 C19 H19 118.3 . .
O6 C20 O9 120.98(12) . .
O6 C20 C19 126.37(13) . .
O9 C20 C19 112.65(12) . .
O9 C21 C22 110.64(13) . .
O9 C21 C23 109.31(12) . .
C22 C21 C23 113.41(15) . .
O9 C21 C24 102.27(12) . .
C22 C21 C24 110.18(14) . .
C23 C21 C24 110.47(14) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 O5 2.0435(10) 2_575
Fe1 O2 2.0507(10) .
Fe1 O1 2.0748(10) .
Fe1 O6 2.0853(10) 2_575
Fe1 O3 2.1986(10) .
Fe1 O3 2.2194(10) 2_575
Fe1 Li1 2.950(2) 2_575
Li1 O4 1.854(3) .
Li1 O2 1.901(3) .
Li1 O5 1.909(3) .
Li1 O3 1.963(3) .
Li1 Fe1 2.950(2) 2_575
O7 C4 1.3449(17) .
O7 C5 1.4793(18) .
O1 C4 1.2387(17) .
O2 C2 1.3016(17) .
O3 C10 1.3249(17) .
O3 Fe1 2.2194(10) 2_575
O4 C12 1.2319(18) .
O8 C12 1.3541(17) .
O8 C13 1.4780(19) .
O5 C18 1.2943(17) .
O5 Fe1 2.0435(10) 2_575
O6 C20 1.2370(17) .
O6 Fe1 2.0853(10) 2_575
O9 C20 1.3492(17) .
O9 C21 1.4784(17) .
C1 C2 1.511(2) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.370(2) .
C3 C4 1.431(2) .
C3 H3 0.9500 .
C5 C7 1.520(2) .
C5 C6 1.523(2) .
C5 C8 1.524(2) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.507(2) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.362(2) .
C11 C12 1.440(2) .
C11 H11 0.9500 .
C13 C16 1.517(2) .
C13 C15 1.519(3) .
C13 C14 1.523(2) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.506(2) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.374(2) .
C19 C20 1.429(2) .
C19 H19 0.9500 .
C21 C22 1.516(2) .
C21 C23 1.521(2) .
C21 C24 1.522(2) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
