#------------------------------------------------------------------------------
#$Date: 2025-08-21 12:25:49 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301846 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/72/7007273.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_7007273
loop_
_publ_author_name
'Cole, Marcus L.'
'Junk, Peter C.'
'Proctor, Kathryn M.'
'Scott, Janet L.'
'Strauss, Christopher R.'
_publ_section_title
;
 Synthesis and structural characterisation of lithium and sodium
 2,6-dibenzylphenolate complexes.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3338
_journal_page_last               3349
_journal_paper_doi               10.1039/b602706g
_journal_year                    2006
_chemical_compound_source        Et2O
_chemical_formula_moiety         'C44 H42 Li2 O6'
_chemical_formula_sum            'C44 H42 Li2 O6'
_chemical_formula_weight         680.66
_chemical_melting_point_gt       633
_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
_cell_angle_alpha                90.582(8)
_cell_angle_beta                 105.252(9)
_cell_angle_gamma                95.986(11)
_cell_formula_units_Z            2
_cell_length_a                   11.015(3)
_cell_length_b                   11.345(2)
_cell_length_c                   15.006(2)
_cell_measurement_temperature    123(2)
_cell_volume                     1797.9(6)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        X-Seed
_computing_molecular_graphics    'X-Seed / POV-Ray'
_computing_publication_material  'Microsoft Office 2000'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'psi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1266
_diffrn_reflns_av_sigmaI/netI    0.1344
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27121
_diffrn_reflns_theta_full        27.73
_diffrn_reflns_theta_max         27.73
_diffrn_reflns_theta_min         2.64
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.9839
_exptl_absorpt_correction_T_min  0.9839
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'performed as part of the DENZO-SMN package'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'cubic '
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.277
_refine_diff_density_min         -0.266
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.797
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     473
_refine_ls_number_reflns         8400
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.797
_refine_ls_R_factor_all          0.1473
_refine_ls_R_factor_gt           0.0574
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1241P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1348
_refine_ls_wR_factor_ref         0.1855
_reflns_number_gt                4384
_reflns_number_total             8400
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b602706g.txt
_cod_data_source_block           COMPOUND_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '> 633' was changed to
'633' - it should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_database_code               7007273
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
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.68863(15) 0.26774(15) 0.17914(10) 0.0239(4) Uani 1 1 d . . .
O2 O 0.45363(17) 0.21769(19) 0.25963(12) 0.0377(5) Uani 1 1 d . . .
O3 O 0.96828(16) 0.25536(17) 0.28291(11) 0.0287(4) Uani 1 1 d . . .
O4 O 0.73384(15) 0.22600(15) 0.36653(10) 0.0222(4) Uani 1 1 d . . .
O5 O 0.59961(16) 0.00176(15) 0.21806(10) 0.0269(4) Uani 1 1 d . . .
O6 O 0.83456(16) 0.49540(15) 0.30862(11) 0.0263(4) Uani 1 1 d . . .
C1 C 0.6617(2) 0.2815(2) 0.08918(15) 0.0193(5) Uani 1 1 d . . .
C2 C 0.5465(2) 0.3242(2) 0.04141(16) 0.0226(5) Uani 1 1 d . . .
C3 C 0.5216(2) 0.3405(2) -0.05270(17) 0.0281(6) Uani 1 1 d . . .
H3 H 0.4462 0.3726 -0.0837 0.034 Uiso 1 1 calc R . .
C4 C 0.6042(3) 0.3111(2) -0.10259(17) 0.0311(6) Uani 1 1 d . . .
H4 H 0.5851 0.3220 -0.1673 0.037 Uiso 1 1 calc R . .
C5 C 0.7150(2) 0.2657(2) -0.05715(16) 0.0271(6) Uani 1 1 d . . .
H5 H 0.7709 0.2440 -0.0916 0.033 Uiso 1 1 calc R . .
C6 C 0.7461(2) 0.2512(2) 0.03798(15) 0.0215(5) Uani 1 1 d . . .
C7 C 0.4520(2) 0.3514(2) 0.09420(17) 0.0273(6) Uani 1 1 d . . .
H7A H 0.4054 0.4168 0.0643 0.033 Uiso 1 1 calc R . .
H7B H 0.4989 0.3794 0.1579 0.033 Uiso 1 1 calc R . .
C8 C 0.3570(2) 0.2462(2) 0.09922(16) 0.0236(5) Uani 1 1 d . . .
C9 C 0.3556(2) 0.1876(2) 0.17999(17) 0.0273(6) Uani 1 1 d . . .
C10 C 0.2663(3) 0.0934(3) 0.18311(19) 0.0348(7) Uani 1 1 d . . .
H10 H 0.2679 0.0559 0.2397 0.042 Uiso 1 1 calc R . .
C11 C 0.1749(3) 0.0546(3) 0.10345(19) 0.0363(7) Uani 1 1 d . . .
H11 H 0.1133 -0.0101 0.1047 0.044 Uiso 1 1 calc R . .
C12 C 0.1733(3) 0.1099(3) 0.02212(18) 0.0344(7) Uani 1 1 d . . .
H12 H 0.1104 0.0835 -0.0329 0.041 Uiso 1 1 calc R . .
C13 C 0.2635(2) 0.2041(2) 0.02030(18) 0.0299(6) Uani 1 1 d . . .
H13 H 0.2613 0.2410 -0.0365 0.036 Uiso 1 1 calc R . .
C14 C 0.4282(3) 0.2815(4) 0.3320(2) 0.0553(10) Uani 1 1 d . . .
H14A H 0.4136 0.3624 0.3131 0.083 Uiso 1 1 calc R . .
H14B H 0.5006 0.2843 0.3867 0.083 Uiso 1 1 calc R . .
H14C H 0.3526 0.2423 0.3467 0.083 Uiso 1 1 calc R . .
C15 C 0.8681(2) 0.2037(2) 0.08828(16) 0.0233(5) Uani 1 1 d . . .
H15A H 0.8937 0.1517 0.0446 0.028 Uiso 1 1 calc R . .
H15B H 0.8517 0.1540 0.1386 0.028 Uiso 1 1 calc R . .
C16 C 0.9778(2) 0.2978(2) 0.12949(16) 0.0209(5) Uani 1 1 d . . .
C17 C 1.0291(2) 0.3179(2) 0.22440(16) 0.0227(5) Uani 1 1 d . . .
C18 C 1.1315(2) 0.4020(2) 0.26016(17) 0.0285(6) Uani 1 1 d . . .
H18 H 1.1649 0.4138 0.3252 0.034 Uiso 1 1 calc R . .
C19 C 1.1850(2) 0.4691(2) 0.20069(18) 0.0309(6) Uani 1 1 d . . .
H19 H 1.2556 0.5266 0.2248 0.037 Uiso 1 1 calc R . .
C20 C 1.1354(2) 0.4521(2) 0.10619(18) 0.0290(6) Uani 1 1 d . . .
H20 H 1.1710 0.4984 0.0651 0.035 Uiso 1 1 calc R . .
C21 C 1.0337(2) 0.3674(2) 0.07192(17) 0.0262(6) Uani 1 1 d . . .
H21 H 1.0008 0.3562 0.0069 0.031 Uiso 1 1 calc R . .
C22 C 1.0451(3) 0.2046(3) 0.36172(19) 0.0409(7) Uani 1 1 d . . .
H22A H 1.1036 0.1570 0.3422 0.061 Uiso 1 1 calc R . .
H22B H 0.9910 0.1540 0.3916 0.061 Uiso 1 1 calc R . .
H22C H 1.0936 0.2681 0.4055 0.061 Uiso 1 1 calc R . .
C23 C 0.7378(2) 0.2096(2) 0.45423(15) 0.0201(5) Uani 1 1 d . . .
C24 C 0.6888(2) 0.1005(2) 0.48262(16) 0.0226(5) Uani 1 1 d . . .
C25 C 0.6909(2) 0.0871(2) 0.57490(16) 0.0269(6) Uani 1 1 d . . .
H25 H 0.6567 0.0139 0.5934 0.032 Uiso 1 1 calc R . .
C26 C 0.7420(2) 0.1784(2) 0.64088(17) 0.0291(6) Uani 1 1 d . . .
H26 H 0.7417 0.1685 0.7036 0.035 Uiso 1 1 calc R . .
C27 C 0.7934(2) 0.2843(2) 0.61322(16) 0.0269(6) Uani 1 1 d . . .
H27 H 0.8300 0.3464 0.6582 0.032 Uiso 1 1 calc R . .
C28 C 0.7926(2) 0.3019(2) 0.52151(15) 0.0219(5) Uani 1 1 d . . .
C29 C 0.6346(2) 0.0002(2) 0.41153(16) 0.0250(6) Uani 1 1 d . . .
H29A H 0.5625 0.0261 0.3641 0.030 Uiso 1 1 calc R . .
H29B H 0.6017 -0.0681 0.4421 0.030 Uiso 1 1 calc R . .
C30 C 0.7303(2) -0.0398(2) 0.36420(16) 0.0225(5) Uani 1 1 d . . .
C31 C 0.7106(2) -0.0411(2) 0.26823(16) 0.0244(6) Uani 1 1 d . . .
C32 C 0.7986(3) -0.0798(2) 0.22635(18) 0.0292(6) Uani 1 1 d . . .
H32 H 0.7831 -0.0812 0.1610 0.035 Uiso 1 1 calc R . .
C33 C 0.9098(3) -0.1166(2) 0.28151(19) 0.0346(7) Uani 1 1 d . . .
H33 H 0.9710 -0.1419 0.2535 0.041 Uiso 1 1 calc R . .
C34 C 0.9320(3) -0.1165(3) 0.37660(19) 0.0347(7) Uani 1 1 d . . .
H34 H 1.0074 -0.1426 0.4140 0.042 Uiso 1 1 calc R . .
C35 C 0.8422(2) -0.0778(2) 0.41625(17) 0.0296(6) Uani 1 1 d . . .
H35 H 0.8579 -0.0771 0.4816 0.035 Uiso 1 1 calc R . .
C36 C 0.5640(3) -0.0167(2) 0.11881(16) 0.0304(6) Uani 1 1 d . . .
H36A H 0.6251 0.0306 0.0928 0.046 Uiso 1 1 calc R . .
H36B H 0.4794 0.0076 0.0931 0.046 Uiso 1 1 calc R . .
H36C H 0.5634 -0.1009 0.1032 0.046 Uiso 1 1 calc R . .
C37 C 0.8503(2) 0.4163(2) 0.49196(16) 0.0241(6) Uani 1 1 d . . .
H37A H 0.9037 0.3970 0.4512 0.029 Uiso 1 1 calc R . .
H37B H 0.9066 0.4599 0.5475 0.029 Uiso 1 1 calc R . .
C38 C 0.7556(2) 0.4978(2) 0.44140(15) 0.0225(5) Uani 1 1 d . . .
C39 C 0.7516(2) 0.5392(2) 0.35328(16) 0.0232(5) Uani 1 1 d . . .
C40 C 0.6681(3) 0.6185(2) 0.31288(17) 0.0285(6) Uani 1 1 d . . .
H40 H 0.6670 0.6459 0.2531 0.034 Uiso 1 1 calc R . .
C41 C 0.5859(3) 0.6580(2) 0.35946(17) 0.0297(6) Uani 1 1 d . . .
H41 H 0.5299 0.7137 0.3320 0.036 Uiso 1 1 calc R . .
C42 C 0.5848(2) 0.6169(2) 0.44532(17) 0.0295(6) Uani 1 1 d . . .
H42 H 0.5274 0.6425 0.4769 0.035 Uiso 1 1 calc R . .
C43 C 0.6696(2) 0.5372(2) 0.48483(16) 0.0270(6) Uani 1 1 d . . .
H43 H 0.6685 0.5086 0.5439 0.032 Uiso 1 1 calc R . .
C44 C 0.8426(3) 0.5487(2) 0.22378(18) 0.0339(7) Uani 1 1 d . . .
H44A H 0.7623 0.5292 0.1766 0.051 Uiso 1 1 calc R . .
H44B H 0.9111 0.5184 0.2030 0.051 Uiso 1 1 calc R . .
H44C H 0.8600 0.6350 0.2338 0.051 Uiso 1 1 calc R . .
Li1 Li 0.6160(4) 0.1754(4) 0.2564(3) 0.0265(9) Uani 1 1 d . . .
Li2 Li 0.8087(4) 0.3137(4) 0.2882(3) 0.0275(10) Uani 1 1 d . . .
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'
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
_geom_angle_publ_flag
C1 O1 Li1 134.86(19) . . ?
C1 O1 Li2 142.4(2) . . ?
Li1 O1 Li2 82.68(19) . . ?
C9 O2 C14 118.6(2) . . ?
C9 O2 Li1 115.73(18) . . ?
C14 O2 Li1 125.5(2) . . ?
C17 O3 C22 117.81(19) . . ?
C17 O3 Li2 113.91(19) . . ?
C22 O3 Li2 120.4(2) . . ?
C23 O4 Li2 143.90(19) . . ?
C23 O4 Li1 133.08(19) . . ?
Li2 O4 Li1 82.44(19) . . ?
C31 O5 C36 117.86(19) . . ?
C31 O5 Li1 106.02(18) . . ?
C36 O5 Li1 112.04(18) . . ?
C39 O6 C44 116.77(19) . . ?
C39 O6 Li2 113.80(18) . . ?
C44 O6 Li2 108.93(18) . . ?
O1 C1 C6 120.5(2) . . ?
O1 C1 C2 120.8(2) . . ?
C6 C1 C2 118.7(2) . . ?
C3 C2 C1 119.7(2) . . ?
C3 C2 C7 120.8(2) . . ?
C1 C2 C7 119.5(2) . . ?
C4 C3 C2 121.5(2) . . ?
C3 C4 C5 119.3(2) . . ?
C4 C5 C6 121.3(2) . . ?
C5 C6 C1 119.4(2) . . ?
C5 C6 C15 121.6(2) . . ?
C1 C6 C15 119.0(2) . . ?
C2 C7 C8 113.9(2) . . ?
C13 C8 C9 116.2(2) . . ?
C13 C8 C7 120.1(2) . . ?
C9 C8 C7 123.8(2) . . ?
C10 C9 C8 122.6(2) . . ?
C10 C9 O2 118.0(2) . . ?
C8 C9 O2 119.2(2) . . ?
C9 C10 C11 119.4(3) . . ?
C12 C11 C10 119.7(3) . . ?
C11 C12 C13 120.1(2) . . ?
C12 C13 C8 122.0(3) . . ?
C6 C15 C16 114.9(2) . . ?
C21 C16 C17 116.8(2) . . ?
C21 C16 C15 120.2(2) . . ?
C17 C16 C15 123.0(2) . . ?
C18 C17 O3 120.6(2) . . ?
C18 C17 C16 121.8(2) . . ?
O3 C17 C16 117.5(2) . . ?
C17 C18 C19 119.7(2) . . ?
C20 C19 C18 119.8(2) . . ?
C19 C20 C21 119.6(2) . . ?
C20 C21 C16 122.2(2) . . ?
O4 C23 C24 121.0(2) . . ?
O4 C23 C28 119.9(2) . . ?
C24 C23 C28 119.0(2) . . ?
C25 C24 C23 119.7(2) . . ?
C25 C24 C29 121.1(2) . . ?
C23 C24 C29 119.2(2) . . ?
C26 C25 C24 121.5(2) . . ?
C27 C26 C25 118.7(2) . . ?
C26 C27 C28 121.8(2) . . ?
C27 C28 C23 119.3(2) . . ?
C27 C28 C37 121.7(2) . . ?
C23 C28 C37 119.0(2) . . ?
C24 C29 C30 113.4(2) . . ?
C35 C30 C31 117.3(2) . . ?
C35 C30 C29 120.2(2) . . ?
C31 C30 C29 122.5(2) . . ?
C32 C31 O5 122.5(2) . . ?
C32 C31 C30 121.5(2) . . ?
O5 C31 C30 116.0(2) . . ?
C32 C31 Li1 128.5(2) . . ?
O5 C31 Li1 44.88(13) . . ?
C30 C31 Li1 91.97(17) . . ?
C31 C32 C33 119.1(2) . . ?
C34 C33 C32 120.7(3) . . ?
C33 C34 C35 118.8(3) . . ?
C34 C35 C30 122.6(2) . . ?
C28 C37 C38 115.0(2) . . ?
C43 C38 C39 116.9(2) . . ?
C43 C38 C37 119.3(2) . . ?
C39 C38 C37 123.7(2) . . ?
C40 C39 O6 122.3(2) . . ?
C40 C39 C38 121.2(2) . . ?
O6 C39 C38 116.6(2) . . ?
C41 C40 C39 120.1(2) . . ?
C42 C41 C40 120.4(2) . . ?
C41 C42 C43 118.6(2) . . ?
C38 C43 C42 122.7(2) . . ?
O1 Li1 O4 97.2(2) . . ?
O1 Li1 O2 113.0(2) . . ?
O4 Li1 O2 109.3(2) . . ?
O1 Li1 O5 110.4(2) . . ?
O4 Li1 O5 117.4(2) . . ?
O2 Li1 O5 109.2(2) . . ?
O1 Li1 Li2 48.56(14) . . ?
O4 Li1 Li2 48.64(14) . . ?
O2 Li1 Li2 124.5(2) . . ?
O5 Li1 Li2 126.3(2) . . ?
O1 Li1 C31 108.33(19) . . ?
O4 Li1 C31 89.63(17) . . ?
O2 Li1 C31 131.2(2) . . ?
O5 Li1 C31 29.10(9) . . ?
Li2 Li1 C31 102.06(18) . . ?
O1 Li2 O4 97.6(2) . . ?
O1 Li2 O3 108.1(2) . . ?
O4 Li2 O3 111.2(2) . . ?
O1 Li2 O6 111.4(2) . . ?
O4 Li2 O6 117.6(2) . . ?
O3 Li2 O6 109.9(2) . . ?
O1 Li2 Li1 48.76(14) . . ?
O4 Li2 Li1 48.92(14) . . ?
O3 Li2 Li1 119.3(2) . . ?
O6 Li2 Li1 130.5(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C1 1.318(3) . ?
O1 Li1 1.850(4) . ?
O1 Li2 1.844(4) . ?
O2 C9 1.395(3) . ?
O2 C14 1.403(3) . ?
O2 Li1 1.911(5) . ?
O3 C17 1.395(3) . ?
O3 C22 1.427(3) . ?
O3 Li2 1.962(5) . ?
O4 C23 1.321(3) . ?
O4 Li2 1.847(4) . ?
O4 Li1 1.855(4) . ?
O5 C31 1.394(3) . ?
O5 C36 1.444(3) . ?
O5 Li1 2.023(5) . ?
O6 C39 1.393(3) . ?
O6 C44 1.435(3) . ?
O6 Li2 2.060(5) . ?
C1 C6 1.418(3) . ?
C1 C2 1.420(3) . ?
C2 C3 1.384(3) . ?
C2 C7 1.517(3) . ?
C3 C4 1.384(4) . ?
C4 C5 1.386(4) . ?
C5 C6 1.393(3) . ?
C6 C15 1.514(3) . ?
C7 C8 1.520(4) . ?
C8 C13 1.391(3) . ?
C8 C9 1.391(4) . ?
C9 C10 1.385(4) . ?
C10 C11 1.378(4) . ?
C11 C12 1.375(4) . ?
C12 C13 1.387(4) . ?
C15 C16 1.519(3) . ?
C16 C21 1.393(3) . ?
C16 C17 1.394(3) . ?
C17 C18 1.385(3) . ?
C18 C19 1.385(4) . ?
C19 C20 1.383(4) . ?
C20 C21 1.379(4) . ?
C23 C24 1.413(3) . ?
C23 C28 1.417(3) . ?
C24 C25 1.389(3) . ?
C24 C29 1.512(3) . ?
C25 C26 1.391(4) . ?
C26 C27 1.388(4) . ?
C27 C28 1.391(3) . ?
C28 C37 1.507(3) . ?
C29 C30 1.520(3) . ?
C30 C35 1.388(4) . ?
C30 C31 1.398(3) . ?
C31 C32 1.390(4) . ?
C31 Li1 2.756(5) . ?
C32 C33 1.392(4) . ?
C33 C34 1.383(4) . ?
C34 C35 1.385(4) . ?
C37 C38 1.523(3) . ?
C38 C43 1.389(3) . ?
C38 C39 1.399(3) . ?
C39 C40 1.384(4) . ?
C40 C41 1.386(4) . ?
C41 C42 1.377(4) . ?
C42 C43 1.392(4) . ?
Li1 Li2 2.440(6) . ?
loop_
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1 PubChem 139152624
