#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:21:55 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/93/1549385.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_1549385
loop_
_publ_author_name
'Han, Haixiang'
'Wei, Zheng'
'Barry, Matthew C.'
'Carozza, Jesse C.'
'Alkan, Melisa'
'Rogachev, Andrey Yu'
'Filatov, Alexander S.'
'Abakumov, Artem M.'
'Dikarev, Evgeny V.'
_publ_section_title
;
 A three body problem: a genuine heterotrimetallic molecule
 vs. a mixture of two parent heterobimetallic molecules.
;
_journal_issue                   21
_journal_name_full               'Chemical science'
_journal_page_first              4736
_journal_page_last               4745
_journal_paper_doi               10.1039/c8sc00917a
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety         'C48 H78 Li2 Ni2 O18'
_chemical_formula_sum            'C48 H78 Li2 Ni2 O18'
_chemical_formula_weight         1074.40
_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     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-02-13 deposited with the CCDC.
2018-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                103.4770(18)
_cell_angle_beta                 107.0880(17)
_cell_angle_gamma                110.7970(17)
_cell_formula_units_Z            1
_cell_length_a                   11.408(2)
_cell_length_b                   12.249(2)
_cell_length_c                   12.519(2)
_cell_measurement_reflns_used    9959
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      2.70
_cell_volume                     1447.5(4)
_computing_cell_refinement       'SAINT V.8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'APEX3 v.2017.3-0 (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V.8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'Xshell v.6.3.1 (Bruker AXS Inc., 2016)'
_computing_publication_material  'APEX3 v.2017.3-0 (Bruker AXS Inc., 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker D8 Venture PHOTON 100 CMOS'
_diffrn_measurement_method       'omega and phi 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  0.0234
_diffrn_reflns_av_unetI/netI     0.0268
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.968
_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            16490
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.612
_diffrn_reflns_theta_min         1.838
_exptl_absorpt_coefficient_mu    0.714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was 
used for absorption correction. 
Krause, L., Herbst-Irmer, R., 
Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   1
_exptl_transmission_factor_min   0.9638
_refine_diff_density_max         0.327
_refine_diff_density_min         -0.330
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         6513
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0318P)²+0.5953P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0691
_refine_ls_wR_factor_ref         0.0714
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6080
_reflns_number_total             6513
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc00917a3.cif
_cod_data_source_block           Li2Ni2
_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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1549384--1549387.cif.
;
_cod_database_code               1549385
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.773
_shelx_estimated_absorpt_t_max   0.932
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Ni1 Ni -0.09355(2) 0.85585(2) -0.01918(2) 0.01244(5) Uani 1 1 d . .
Li1 Li 0.1459(2) 0.9358(2) -0.06882(19) 0.0168(4) Uani 1 1 d . .
O7 O -0.11079(10) 0.64821(9) 0.20152(8) 0.01907(19) Uani 1 1 d . .
O1 O -0.12847(9) 0.77245(8) 0.09688(8) 0.01668(18) Uani 1 1 d . .
O2 O 0.06744(9) 0.81960(8) -0.00530(8) 0.01534(18) Uani 1 1 d . .
O4 O -0.01960(9) 0.95979(8) -0.11951(8) 0.01330(17) Uani 1 1 d . .
O3 O 0.16217(10) 0.89282(9) -0.21285(8) 0.0211(2) Uani 1 1 d . .
O8 O 0.10008(10) 0.86654(10) -0.40868(8) 0.0226(2) Uani 1 1 d . .
O6 O 0.25332(9) 1.10646(8) 0.03363(8) 0.01433(17) Uani 1 1 d . .
O5 O 0.21783(9) 1.30594(8) 0.16529(8) 0.01648(18) Uani 1 1 d . .
O9 O 0.41985(9) 1.46696(8) 0.30539(8) 0.01900(19) Uani 1 1 d . .
C1 C 0.18469(17) 0.69505(15) -0.00509(15) 0.0288(3) Uani 1 1 d . .
H1A H 0.157320 0.670212 -0.092345 0.043 Uiso 1 1 calc R U
H1B H 0.185615 0.624085 0.017947 0.043 Uiso 1 1 calc R U
H1C H 0.276945 0.766914 0.037598 0.043 Uiso 1 1 calc R U
C2 C 0.08346(13) 0.73188(12) 0.02802(12) 0.0173(3) Uani 1 1 d . .
C3 C 0.01830(14) 0.67399(13) 0.09030(12) 0.0195(3) Uani 1 1 d . .
H3 H 0.038124 0.610401 0.110228 0.023 Uiso 1 1 calc R U
C4 C -0.07759(13) 0.70400(12) 0.12681(11) 0.0163(2) Uani 1 1 d . .
C5 C -0.21931(14) 0.65442(13) 0.24066(12) 0.0207(3) Uani 1 1 d . .
C6 C -0.18653(16) 0.78954(14) 0.30774(14) 0.0267(3) Uani 1 1 d . .
H6A H -0.090982 0.834922 0.368403 0.040 Uiso 1 1 calc R U
H6B H -0.248691 0.789432 0.347657 0.040 Uiso 1 1 calc R U
H6C H -0.198803 0.831355 0.250403 0.040 Uiso 1 1 calc R U
C7 C -0.35697(15) 0.58484(15) 0.13168(13) 0.0271(3) Uani 1 1 d . .
H7A H -0.357937 0.631715 0.078054 0.041 Uiso 1 1 calc R U
H7B H -0.431089 0.577389 0.158375 0.041 Uiso 1 1 calc R U
H7C H -0.370798 0.500472 0.088242 0.041 Uiso 1 1 calc R U
C8 C -0.21330(15) 0.58467(15) 0.32655(13) 0.0271(3) Uani 1 1 d . .
H8A H -0.223669 0.501157 0.285071 0.041 Uiso 1 1 calc R U
H8B H -0.287928 0.575220 0.352930 0.041 Uiso 1 1 calc R U
H8C H -0.124426 0.632732 0.396948 0.041 Uiso 1 1 calc R U
C9 C -0.21672(14) 0.94849(13) -0.26921(12) 0.0196(3) Uani 1 1 d . .
H9A H -0.281177 0.891706 -0.246303 0.029 Uiso 1 1 calc R U
H9B H -0.258384 0.926572 -0.356534 0.029 Uiso 1 1 calc R U
H9C H -0.195816 1.035740 -0.226906 0.029 Uiso 1 1 calc R U
C10 C -0.08615(13) 0.93540(11) -0.23531(11) 0.0146(2) Uani 1 1 d . .
C11 C -0.04288(14) 0.90206(12) -0.32254(12) 0.0180(3) Uani 1 1 d . .
H11 H -0.099772 0.886763 -0.402482 0.022 Uiso 1 1 calc R U
C12 C 0.08079(14) 0.88763(12) -0.30573(12) 0.0182(3) Uani 1 1 d . .
C13 C 0.22097(15) 0.84971(15) -0.41196(13) 0.0245(3) Uani 1 1 d . .
C14 C 0.20070(18) 0.83027(18) -0.54184(14) 0.0343(4) Uani 1 1 d . .
H14A H 0.279802 0.824036 -0.553282 0.051 Uiso 1 1 calc R U
H14B H 0.192804 0.901870 -0.559448 0.051 Uiso 1 1 calc R U
H14C H 0.116437 0.752372 -0.596486 0.051 Uiso 1 1 calc R U
C15 C 0.35339(16) 0.96844(16) -0.32619(15) 0.0333(4) Uani 1 1 d . .
H15A H 0.364800 0.981202 -0.242822 0.050 Uiso 1 1 calc R U
H15B H 0.348987 1.041132 -0.343774 0.050 Uiso 1 1 calc R U
H15C H 0.431795 0.959557 -0.336666 0.050 Uiso 1 1 calc R U
C16 C 0.21629(17) 0.73330(16) -0.38657(14) 0.0316(3) Uani 1 1 d . .
H16A H 0.224256 0.745687 -0.304053 0.047 Uiso 1 1 calc R U
H16B H 0.292831 0.719170 -0.395483 0.047 Uiso 1 1 calc R U
H16C H 0.128773 0.659891 -0.443773 0.047 Uiso 1 1 calc R U
C17 C 0.48067(15) 1.14385(14) 0.06559(14) 0.0275(3) Uani 1 1 d . .
H17A H 0.469742 1.067434 0.082405 0.041 Uiso 1 1 calc R U
H17B H 0.575190 1.210470 0.115424 0.041 Uiso 1 1 calc R U
H17C H 0.461696 1.125677 -0.019902 0.041 Uiso 1 1 calc R U
C18 C 0.38125(13) 1.18688(12) 0.09456(11) 0.0157(2) Uani 1 1 d . .
C19 C 0.43103(13) 1.30354(12) 0.18134(12) 0.0183(3) Uani 1 1 d . .
H19 H 0.528065 1.353506 0.222719 0.022 Uiso 1 1 calc R U
C20 C 0.34563(13) 1.35416(11) 0.21303(11) 0.0153(2) Uani 1 1 d . .
C21 C 0.35383(14) 1.54256(13) 0.34526(12) 0.0208(3) Uani 1 1 d . .
C22 C 0.25227(19) 1.47320(16) 0.39042(17) 0.0374(4) Uani 1 1 d . .
H22A H 0.174856 1.398256 0.322969 0.056 Uiso 1 1 calc R U
H22B H 0.218054 1.528901 0.425451 0.056 Uiso 1 1 calc R U
H22C H 0.298179 1.447575 0.452052 0.056 Uiso 1 1 calc R U
C23 C 0.28917(19) 1.57823(15) 0.24355(15) 0.0345(4) Uani 1 1 d . .
H23A H 0.357882 1.617558 0.214478 0.052 Uiso 1 1 calc R U
H23B H 0.256281 1.637853 0.273008 0.052 Uiso 1 1 calc R U
H23C H 0.211480 1.502364 0.177350 0.052 Uiso 1 1 calc R U
C24 C 0.47611(16) 1.65847(14) 0.44842(14) 0.0309(3) Uani 1 1 d . .
H24A H 0.517918 1.633528 0.512677 0.046 Uiso 1 1 calc R U
H24B H 0.444938 1.718651 0.480157 0.046 Uiso 1 1 calc R U
H24C H 0.544329 1.697967 0.418952 0.046 Uiso 1 1 calc R U
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'
Ni Ni 0.3393 1.1124 '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 Ni1 O2 179.38(4) 2_575 .
O6 Ni1 O1 90.66(4) 2_575 .
O2 Ni1 O1 89.92(4) . .
O6 Ni1 O5 89.88(4) 2_575 2_575
O2 Ni1 O5 90.32(4) . 2_575
O1 Ni1 O5 93.33(4) . 2_575
O6 Ni1 O4 96.43(4) 2_575 .
O2 Ni1 O4 82.97(4) . .
O1 Ni1 O4 169.85(4) . .
O5 Ni1 O4 93.94(4) 2_575 .
O6 Ni1 O4 82.86(4) 2_575 2_575
O2 Ni1 O4 96.88(4) . 2_575
O1 Ni1 O4 92.79(4) . 2_575
O5 Ni1 O4 170.55(4) 2_575 2_575
O4 Ni1 O4 80.94(4) . 2_575
O6 Ni1 Li1 40.62(5) 2_575 2_575
O2 Ni1 Li1 139.03(5) . 2_575
O1 Ni1 Li1 98.37(5) . 2_575
O5 Ni1 Li1 128.75(5) 2_575 2_575
O4 Ni1 Li1 82.53(5) . 2_575
O4 Ni1 Li1 42.97(5) 2_575 2_575
O3 Li1 O2 124.34(12) . .
O3 Li1 O6 115.35(12) . .
O2 Li1 O6 118.57(12) . .
O3 Li1 O4 100.45(11) . .
O2 Li1 O4 91.33(10) . .
O6 Li1 O4 91.23(10) . .
O3 Li1 Ni1 123.16(11) . 2_575
O2 Li1 Ni1 105.01(9) . 2_575
O6 Li1 Ni1 43.99(5) . 2_575
O4 Li1 Ni1 48.09(5) . 2_575
C4 O7 C5 121.61(10) . .
C4 O1 Ni1 124.86(8) . .
C2 O2 Li1 140.12(11) . .
C2 O2 Ni1 124.50(8) . .
Li1 O2 Ni1 95.04(8) . .
C10 O4 Li1 118.90(10) . .
C10 O4 Ni1 125.97(7) . .
Li1 O4 Ni1 88.92(7) . .
C10 O4 Ni1 124.51(8) . 2_575
Li1 O4 Ni1 88.94(7) . 2_575
Ni1 O4 Ni1 99.06(4) . 2_575
C12 O3 Li1 121.80(11) . .
C12 O8 C13 120.51(11) . .
C18 O6 Li1 139.00(11) . .
C18 O6 Ni1 125.57(8) . 2_575
Li1 O6 Ni1 95.39(8) . 2_575
C20 O5 Ni1 125.25(8) . 2_575
C20 O9 C21 121.30(10) . .
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 125.40(12) . .
O2 C2 C1 114.71(11) . .
C3 C2 C1 119.88(12) . .
C2 C3 C4 123.72(12) . .
C2 C3 H3 118.1 . .
C4 C3 H3 118.1 . .
O1 C4 O7 120.82(12) . .
O1 C4 C3 127.20(12) . .
O7 C4 C3 111.98(11) . .
O7 C5 C7 109.00(11) . .
O7 C5 C6 111.94(11) . .
C7 C5 C6 112.34(13) . .
O7 C5 C8 101.78(11) . .
C7 C5 C8 111.23(12) . .
C6 C5 C8 110.08(12) . .
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 . .
O4 C10 C11 124.60(12) . .
O4 C10 C9 116.20(11) . .
C11 C10 C9 119.19(12) . .
C10 C11 C12 126.56(12) . .
C10 C11 H11 116.7 . .
C12 C11 H11 116.7 . .
O3 C12 O8 121.41(12) . .
O3 C12 C11 127.32(12) . .
O8 C12 C11 111.27(11) . .
O8 C13 C16 110.21(12) . .
O8 C13 C15 110.53(12) . .
C16 C13 C15 112.85(13) . .
O8 C13 C14 102.15(11) . .
C16 C13 C14 110.63(13) . .
C15 C13 C14 109.96(13) . .
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 . .
O6 C18 C19 125.66(12) . .
O6 C18 C17 114.81(11) . .
C19 C18 C17 119.53(12) . .
C18 C19 C20 123.82(12) . .
C18 C19 H19 118.1 . .
C20 C19 H19 118.1 . .
O5 C20 O9 120.67(11) . .
O5 C20 C19 127.31(12) . .
O9 C20 C19 112.02(11) . .
O9 C21 C23 109.21(11) . .
O9 C21 C22 110.82(12) . .
C23 C21 C22 113.10(14) . .
O9 C21 C24 102.02(11) . .
C23 C21 C24 110.51(13) . .
C22 C21 C24 110.63(13) . .
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
Ni1 O6 2.0026(9) 2_575
Ni1 O2 2.0071(9) .
Ni1 O1 2.0142(9) .
Ni1 O5 2.0185(9) 2_575
Ni1 O4 2.1249(9) .
Ni1 O4 2.1368(9) 2_575
Ni1 Li1 2.871(2) 2_575
Li1 O3 1.840(2) .
Li1 O2 1.871(2) .
Li1 O6 1.877(2) .
Li1 O4 1.957(2) .
O7 C4 1.3443(15) .
O7 C5 1.4781(16) .
O1 C4 1.2428(16) .
O2 C2 1.2905(16) .
O4 C10 1.3257(15) .
O3 C12 1.2276(17) .
O8 C12 1.3521(15) .
O8 C13 1.4757(17) .
O6 C18 1.2872(15) .
O5 C20 1.2424(16) .
O9 C20 1.3461(15) .
O9 C21 1.4745(15) .
C1 C2 1.5077(18) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.3737(18) .
C3 C4 1.4289(18) .
C3 H3 0.9500 .
C5 C7 1.5174(19) .
C5 C6 1.521(2) .
C5 C8 1.5223(19) .
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 1.5015(18) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.3619(18) .
C11 C12 1.4444(19) .
C11 H11 0.9500 .
C13 C16 1.518(2) .
C13 C15 1.519(2) .
C13 C14 1.521(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 1.5077(18) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.3719(18) .
C19 C20 1.4257(18) .
C19 H19 0.9500 .
C21 C23 1.514(2) .
C21 C22 1.514(2) .
C21 C24 1.5198(19) .
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 .
