#------------------------------------------------------------------------------
#$Date: 2017-05-06 00:59:54 +0300 (Sat, 06 May 2017) $
#$Revision: 196398 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/16/7041684.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_7041684
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 Li2 Mg2 O18'
_chemical_formula_sum            'C48 H78 Li2 Mg2 O18'
_chemical_formula_weight         1005.60
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                103.660(5)
_cell_angle_beta                 106.731(5)
_cell_angle_gamma                111.403(5)
_cell_formula_units_Z            1
_cell_length_a                   11.556(5)
_cell_length_b                   12.211(5)
_cell_length_c                   12.471(5)
_cell_measurement_reflns_used    3393
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.42
_cell_measurement_theta_min      2.13
_cell_volume                     1449.6(10)
_computing_cell_refinement       'SAINT Ver. 6.22  (Bruker-AXS, 2003)'
_computing_data_collection       'SMART Ver. 5.622 (Bruker-AXS, 2003)'
_computing_data_reduction        'SAINT Ver. 6.22'
_computing_molecular_graphics    'SHELXTL Ver. 6.14'
_computing_publication_material  'SHELXTL Ver. 6.14'
_computing_structure_refinement  'SHELXTL Ver. 6.14'
_computing_structure_solution    'SHELXTL Ver. 6.14 (Bruker-AXS, 2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '0.30° ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_sigmaI/netI    0.0655
_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       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            22717
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.77
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    0.105
_exptl_absorpt_correction_T_max  0.9875
_exptl_absorpt_correction_T_min  0.9732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS  (Bruker-AXS, 2003)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.561
_refine_diff_density_min         -0.488
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         6090
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0503
_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)+(0.0707P)²+0.2760P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1284
_refine_ls_wR_factor_ref         0.1439
_reflns_number_gt                4226
_reflns_number_total             6090
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c6dt04602a2.cif
_cod_data_source_block           LiMgtbaoac3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7041683--7041687.cif.
;
_cod_original_sg_symbol_Hall     '-P 1        '
_cod_original_sg_symbol_H-M      'P -1        '
_cod_database_code               7041684
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
Mg1 Mg 0.09427(6) 0.14604(6) 1.02038(6) 0.02016(18) Uani 1 1 d .
Li1 Li 0.1473(3) -0.0655(3) 0.9313(3) 0.0244(8) Uani 1 1 d .
O1 O 0.22841(14) 0.30745(13) 1.16933(13) 0.0239(3) Uani 1 1 d .
O2 O 0.25371(13) 0.10829(13) 1.03577(12) 0.0217(3) Uani 1 1 d .
O7 O 0.42936(14) 0.47078(13) 1.30876(13) 0.0257(3) Uani 1 1 d .
O5 O -0.06454(13) 0.18492(13) 1.00740(12) 0.0226(3) Uani 1 1 d .
O6 O 0.12051(14) 0.23164(13) 0.90251(13) 0.0242(3) Uani 1 1 d .
O9 O 0.10574(14) 0.35657(14) 0.79810(13) 0.0264(3) Uani 1 1 d .
O3 O -0.01631(13) -0.04030(13) 0.88113(12) 0.0203(3) Uani 1 1 d .
O4 O 0.16554(15) -0.10619(14) 0.78833(13) 0.0276(3) Uani 1 1 d .
O8 O 0.10462(15) -0.13496(15) 0.59194(13) 0.0299(4) Uani 1 1 d .
C1 C 0.4751(2) 0.1353(2) 1.0672(2) 0.0358(6) Uani 1 1 d .
H1A H 0.4565 0.0555 1.0799 0.054 Uiso 1 1 calc R
H1B H 0.5704 0.1983 1.1194 0.054 Uiso 1 1 calc R
H1C H 0.4589 0.1200 0.9822 0.054 Uiso 1 1 calc R
C2 C 0.3823(2) 0.1847(2) 1.09812(19) 0.0224(5) Uani 1 1 d .
C3 C 0.4360(2) 0.3015(2) 1.18663(19) 0.0251(5) Uani 1 1 d .
H3 H 0.5324 0.3489 1.2295 0.030 Uiso 1 1 calc R
C4 C 0.3547(2) 0.35584(19) 1.21792(18) 0.0214(4) Uani 1 1 d .
C5 C 0.3652(2) 0.5488(2) 1.3469(2) 0.0278(5) Uani 1 1 d .
C6 C 0.4875(2) 0.6675(2) 1.4482(2) 0.0385(6) Uani 1 1 d .
H6A H 0.5304 0.6445 1.5133 0.058 Uiso 1 1 calc R
H6B H 0.4574 0.7284 1.4801 0.058 Uiso 1 1 calc R
H6C H 0.5536 0.7063 1.4167 0.058 Uiso 1 1 calc R
C7 C 0.2657(3) 0.4821(3) 1.3943(3) 0.0463(7) Uani 1 1 d .
H7A H 0.1879 0.4057 1.3277 0.069 Uiso 1 1 calc R
H7B H 0.2335 0.5395 1.4293 0.069 Uiso 1 1 calc R
H7C H 0.3111 0.4576 1.4568 0.069 Uiso 1 1 calc R
C8 C 0.3022(3) 0.5816(2) 1.2430(2) 0.0424(6) Uani 1 1 d .
H8A H 0.3692 0.6155 1.2105 0.064 Uiso 1 1 calc R
H8B H 0.2746 0.6457 1.2719 0.064 Uiso 1 1 calc R
H8C H 0.2220 0.5048 1.1791 0.064 Uiso 1 1 calc R
C9 C -0.1870(2) 0.3029(2) 1.0052(2) 0.0359(6) Uani 1 1 d .
H9A H -0.2206 0.2534 1.0510 0.054 Uiso 1 1 calc R
H9B H -0.2637 0.2829 0.9313 0.054 Uiso 1 1 calc R
H9C H -0.1429 0.3940 1.0551 0.054 Uiso 1 1 calc R
C10 C -0.0858(2) 0.2700(2) 0.97198(19) 0.0242(5) Uani 1 1 d .
C11 C -0.0247(2) 0.3271(2) 0.90736(19) 0.0261(5) Uani 1 1 d .
H11A H -0.0471 0.3885 0.8853 0.031 Uiso 1 1 calc R
C12 C 0.0707(2) 0.29932(19) 0.87162(18) 0.0229(5) Uani 1 1 d .
C13 C 0.2140(2) 0.3511(2) 0.7597(2) 0.0286(5) Uani 1 1 d .
C14 C 0.3488(2) 0.4219(2) 0.8691(2) 0.0348(6) Uani 1 1 d .
H14A H 0.3490 0.3747 0.9226 0.052 Uiso 1 1 calc R
H14B H 0.3622 0.5067 0.9127 0.052 Uiso 1 1 calc R
H14C H 0.4228 0.4304 0.8430 0.052 Uiso 1 1 calc R
C15 C 0.2089(2) 0.4208(2) 0.6738(2) 0.0362(6) Uani 1 1 d .
H15A H 0.2304 0.5085 0.7181 0.054 Uiso 1 1 calc R
H15B H 0.1173 0.3772 0.6080 0.054 Uiso 1 1 calc R
H15C H 0.2758 0.4217 0.6399 0.054 Uiso 1 1 calc R
C16 C 0.1812(2) 0.2154(2) 0.6927(2) 0.0354(6) Uani 1 1 d .
H16A H 0.1848 0.1714 0.7490 0.053 Uiso 1 1 calc R
H16B H 0.2481 0.2157 0.6590 0.053 Uiso 1 1 calc R
H16C H 0.0895 0.1711 0.6269 0.053 Uiso 1 1 calc R
C17 C -0.2084(2) -0.0527(2) 0.72909(19) 0.0263(5) Uani 1 1 d .
H17A H -0.2729 -0.1084 0.7530 0.039 Uiso 1 1 calc R
H17B H -0.2496 -0.0767 0.6412 0.039 Uiso 1 1 calc R
H17C H -0.1865 0.0359 0.7703 0.039 Uiso 1 1 calc R
C18 C -0.0802(2) -0.06604(19) 0.76413(18) 0.0214(4) Uani 1 1 d .
C19 C -0.0367(2) -0.0998(2) 0.67757(19) 0.0252(5) Uani 1 1 d .
H19 H -0.0928 -0.1165 0.5971 0.030 Uiso 1 1 calc R
C20 C 0.0853(2) -0.1132(2) 0.69453(19) 0.0258(5) Uani 1 1 d .
C21 C 0.2250(2) -0.1497(2) 0.5884(2) 0.0318(5) Uani 1 1 d .
C22 C 0.2214(3) -0.2653(2) 0.6153(2) 0.0414(6) Uani 1 1 d .
H22A H 0.2288 -0.2520 0.6981 0.062 Uiso 1 1 calc R
H22B H 0.2978 -0.2781 0.6072 0.062 Uiso 1 1 calc R
H22C H 0.1351 -0.3406 0.5579 0.062 Uiso 1 1 calc R
C23 C 0.2047(3) -0.1706(3) 0.4584(2) 0.0430(7) Uani 1 1 d .
H23A H 0.1207 -0.2495 0.4039 0.065 Uiso 1 1 calc R
H23B H 0.2826 -0.1769 0.4467 0.065 Uiso 1 1 calc R
H23C H 0.1975 -0.0988 0.4405 0.065 Uiso 1 1 calc R
C24 C 0.3542(2) -0.0280(3) 0.6735(2) 0.0430(6) Uani 1 1 d .
H24A H 0.3473 0.0441 0.6561 0.064 Uiso 1 1 calc R
H24B H 0.4325 -0.0340 0.6622 0.064 Uiso 1 1 calc R
H24C H 0.3667 -0.0152 0.7574 0.064 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'
Mg Mg 0.0486 0.0363 '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
O6 Mg1 O2 94.22(6) . .
O6 Mg1 O5 86.26(6) . .
O2 Mg1 O5 179.24(7) . .
O6 Mg1 O1 94.05(7) . .
O2 Mg1 O1 86.07(6) . .
O5 Mg1 O1 93.31(7) . .
O6 Mg1 O3 166.24(6) . 2_557
O2 Mg1 O3 96.96(6) . 2_557
O5 Mg1 O3 82.65(6) . 2_557
O1 Mg1 O3 94.69(7) . 2_557
O6 Mg1 O3 92.98(7) . .
O2 Mg1 O3 82.27(6) . .
O5 Mg1 O3 98.30(6) . .
O1 Mg1 O3 166.79(6) . .
O3 Mg1 O3 80.65(7) 2_557 .
O6 Mg1 Li1 124.44(8) . 2_557
O2 Mg1 Li1 139.24(8) . 2_557
O5 Mg1 Li1 40.48(8) . 2_557
O1 Mg1 Li1 101.87(9) . 2_557
O3 Mg1 Li1 43.02(8) 2_557 2_557
O3 Mg1 Li1 83.22(8) . 2_557
O6 Mg1 Mg1 132.06(6) . 2_557
O2 Mg1 Mg1 89.48(5) . 2_557
O5 Mg1 Mg1 90.64(6) . 2_557
O1 Mg1 Mg1 133.89(6) . 2_557
O3 Mg1 Mg1 40.42(4) 2_557 2_557
O3 Mg1 Mg1 40.23(4) . 2_557
Li1 Mg1 Mg1 56.21(7) 2_557 2_557
O4 Li1 O5 124.7(2) . 2_557
O4 Li1 O2 114.98(19) . .
O5 Li1 O2 118.93(19) 2_557 .
O4 Li1 O3 100.83(17) . .
O5 Li1 O3 90.67(15) 2_557 .
O2 Li1 O3 90.18(15) . .
O4 Li1 Mg1 130.22(17) . 2_557
O5 Li1 Mg1 44.33(8) 2_557 2_557
O2 Li1 Mg1 103.71(14) . 2_557
O3 Li1 Mg1 47.32(8) . 2_557
C4 O1 Mg1 128.77(14) . .
C2 O2 Li1 135.52(16) . .
C2 O2 Mg1 128.54(13) . .
Li1 O2 Mg1 95.94(12) . .
C4 O7 C5 121.16(16) . .
C10 O5 Li1 137.27(16) . 2_557
C10 O5 Mg1 127.49(13) . .
Li1 O5 Mg1 95.19(12) 2_557 .
C12 O6 Mg1 128.39(13) . .
C12 O9 C13 121.55(15) . .
C18 O3 Li1 117.48(15) . .
C18 O3 Mg1 125.54(12) . 2_557
Li1 O3 Mg1 89.66(11) . 2_557
C18 O3 Mg1 124.66(12) . .
Li1 O3 Mg1 90.12(12) . .
Mg1 O3 Mg1 99.35(7) 2_557 .
C20 O4 Li1 122.14(17) . .
C20 O8 C21 120.98(16) . .
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 125.12(18) . .
O2 C2 C1 114.80(19) . .
C3 C2 C1 120.08(19) . .
C2 C3 C4 123.12(19) . .
C2 C3 H3 118.4 . .
C4 C3 H3 118.4 . .
O1 C4 O7 120.97(18) . .
O1 C4 C3 126.3(2) . .
O7 C4 C3 112.76(18) . .
O7 C5 C7 110.44(18) . .
O7 C5 C8 109.20(17) . .
C7 C5 C8 113.7(2) . .
O7 C5 C6 101.92(17) . .
C7 C5 C6 110.8(2) . .
C8 C5 C6 110.2(2) . .
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 . .
O5 C10 C11 124.59(18) . .
O5 C10 C9 115.11(18) . .
C11 C10 C9 120.30(18) . .
C10 C11 C12 123.25(19) . .
C10 C11 H11A 118.4 . .
C12 C11 H11A 118.4 . .
O6 C12 O9 121.10(18) . .
O6 C12 C11 126.40(19) . .
O9 C12 C11 112.50(17) . .
O9 C13 C14 108.91(17) . .
O9 C13 C16 111.79(17) . .
C14 C13 C16 112.51(19) . .
O9 C13 C15 101.51(17) . .
C14 C13 C15 111.38(19) . .
C16 C13 C15 110.23(19) . .
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 . .
O3 C18 C19 125.18(18) . .
O3 C18 C17 115.64(17) . .
C19 C18 C17 119.16(18) . .
C18 C19 C20 127.05(19) . .
C18 C19 H19 116.5 . .
C20 C19 H19 116.5 . .
O4 C20 O8 121.64(19) . .
O4 C20 C19 126.92(19) . .
O8 C20 C19 111.44(18) . .
O8 C21 C24 109.94(18) . .
O8 C21 C23 102.38(17) . .
C24 C21 C23 110.0(2) . .
O8 C21 C22 109.84(18) . .
C24 C21 C22 113.3(2) . .
C23 C21 C22 110.8(2) . .
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
Mg1 O6 2.0240(16) .
Mg1 O2 2.0253(16) .
Mg1 O5 2.0300(16) .
Mg1 O1 2.0300(17) .
Mg1 O3 2.1270(15) 2_557
Mg1 O3 2.1355(17) .
Mg1 Li1 2.893(4) 2_557
Mg1 Mg1 3.2498(18) 2_557
Li1 O4 1.829(4) .
Li1 O5 1.886(4) 2_557
Li1 O2 1.892(4) .
Li1 O3 1.974(4) .
Li1 Mg1 2.893(4) 2_557
O1 C4 1.240(2) .
O2 C2 1.290(2) .
O7 C4 1.342(2) .
O7 C5 1.479(2) .
O5 C10 1.295(2) .
O5 Li1 1.886(4) 2_557
O6 C12 1.238(2) .
O9 C12 1.343(2) .
O9 C13 1.480(2) .
O3 C18 1.329(2) .
O3 Mg1 2.1270(15) 2_557
O4 C20 1.227(2) .
O8 C20 1.343(3) .
O8 C21 1.477(2) .
C1 C2 1.504(3) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.361(3) .
C3 C4 1.421(3) .
C3 H3 0.9500 .
C5 C7 1.507(3) .
C5 C8 1.511(3) .
C5 C6 1.519(3) .
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 1.498(3) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.367(3) .
C11 C12 1.419(3) .
C11 H11A 0.9500 .
C13 C14 1.507(3) .
C13 C16 1.514(3) .
C13 C15 1.519(3) .
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 1.500(3) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.357(3) .
C19 C20 1.440(3) .
C19 H19 0.9500 .
C21 C24 1.513(3) .
C21 C23 1.513(3) .
C21 C22 1.516(3) .
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 .
