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#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/01/2000151.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_2000151
loop_
_publ_author_name
'Kociok-Köhn, G.'
'Pickardt, J.'
'Schumann, H.'
_publ_section_title
;
 Structure of dimeric lithium
 2,6-di-tert-butylphenoxide--diethyl ether (1/1)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2649
_journal_page_last               2651
_journal_paper_doi               10.1107/S0108270191007783
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C28 H42 O2,C8 H20 O2,Li1'
_chemical_formula_sum            'C36 H62 Li2 O4'
_chemical_formula_weight         572.77
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.92(6)
_cell_angle_beta                 113.39(5)
_cell_angle_gamma                68.31(7)
_cell_formula_units_Z            1
_cell_length_a                   10.188(8)
_cell_length_b                   11.202(9)
_cell_length_c                   9.220(5)
_cell_volume                     897.0(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.035
_exptl_crystal_density_diffrn    1.06
_exptl_crystal_F_000             316
_cod_data_source_file            mu0264.cif
_cod_data_source_block           mu0264a
_cod_original_cell_volume        897.02
_cod_database_code               2000151
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li .0457(8) .4178(6) .4111(8)
O(1) -.0473(3) .5913(2) .3869(3)
O(2) .1146(4) .2773(3) .2798(4)
C(1) -.0865(4) .7044(3) .3237(4)
C(2) -.2386(4) .7639(4) .2196(4)
C(3) -.2784(5) .8868(4) .1729(5)
C(4) -.1747(6) .9514(5) .2215(6)
C(5) -.0283(6) .8908(4) .3119(5)
C(6) .0217(4) .7665(4) .3604(4)
C(7) -.3561(4) .6948(4) .1582(5)
C(8) -.2972(7) .5675(5) .0771(7)
C(9) -.3963(7) .6766(6) .2951(7)
C(10) -.5039(6) .7738(6) .0350(7)
C(11) .1910(5) .6985(4) .4525(5)
C(12) .2519(7) .5745(5) .3657(8)
C(13) .2884(7) .7811(6) .4682(8)
C(14) .2185(7) .6716(6) .6208(6)
C(15) .1961(8) .1500(5) .3350(8)
C(16) .3425(9) .0950(7) .3081(10)
C(17) .0565(8) .2809(6) .1074(7)
C(18) -.0687(9) .2233(7) .0321(7)
H(3) -.394(6) .941(5) .106(6)
H(4) -.204(4) 1.034(4) .185(5)
H(5) .040(5) .934(4) .341(5)
H(81) -.352(6) .519(5) .053(6)
H(82) -.214(6) .511(5) .138(6)
H(83) -.275(6) .580(5) -.015(7)
H(91) .320(6) .379(5) .635(6)
H(92) .465(5) .358(4) .739(5)
H(93) -.445(6) .765(5) .338(6)
H(101) -.559(6) .862(5) .086(6)
H(102) -.410(8) .800(6) .059(9)
H(103) -.568(7) .731(5) .003(7)
H(121) .193(6) .518(5) .340(6)
H(122) .340(7) .531(6) .420(7)
H(123) .237(7) .600(6) .261(8)
H(131) .263(6) .858(5) .526(7)
H(132) .265(6) .809(5) .360(7)
H(133) .394(7) .729(5) .527(6)
H(141) .322(6) .650(4) .678(5)
H(142) .179(6) .751(5) .665(6)
H(143) -.187(5) .399(4) .377(5)
H(151) .221(7) .154(6) .442(8)
H(152) .124(7) .098(6) .244(8)
H(161) .3227 .0892 .1978
H(162) .3958 .0117 .3506
H(163) .4022 .1490 .3585
H(171) .032(7) .372(7) .090(8)
H(172) .182(9) .250(6) .152(8)
H(181) -.0303 .1354 .0582
H(182) -.1061 .2298 -.0795
H(183) -.1486 .2684 .0701
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O(1) C(1) 1.342(5)
O(2) C(15) 1.422(6)
O(2) C(17) 1.461(7)
C(1) C(2) 1.430(4)
C(1) C(6) 1.415(7)
C(2) C(3) 1.377(6)
C(2) C(7) 1.532(7)
C(3) C(4) 1.386(8)
C(4) C(5) 1.356(6)
C(5) C(6) 1.382(6)
C(6) C(11) 1.538(5)
C(7) C(8) 1.519(6)
C(7) C(9) 1.5400(10)
C(7) C(10) 1.531(6)
C(11) C(12) 1.526(7)
C(11) C(13) 1.5400(10)
C(11) C(14) 1.527(8)
C(15) C(16) 1.4900(10)
C(17) C(18) 1.5100(10)
