#------------------------------------------------------------------------------
#$Date: 2009-04-21 15:31:11 +0100 (Tue, 21 Apr 2009) $
#$Revision: 665 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000175.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_2000175
loop_
_publ_author_name
'Burns, J. H.'
'Sachleben, R. A.'
_publ_section_title
;
 Complexes of lithium and sodium with
 <i>sym</i>-(dibenzo-14-crown-4)methylphenyl phosphinic acid
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2339
_journal_page_last               2343
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         Li(C25H26PO6)C2H5OH
_chemical_formula_sum            'C27 H32 O7 P Li'
_chemical_formula_weight         505.46
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                100.930(10)
_cell_angle_beta                 109.550(10)
_cell_angle_gamma                99.100(10)
_cell_formula_units_Z            2
_cell_length_a                   10.1580(10)
_cell_length_b                   10.6630(10)
_cell_length_c                   12.766(2)
_cell_volume                     1242.2(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.149
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_F_000             536
_[local]_cod_data_source_file    cr0313.cif
_[local]_cod_data_source_block   cr0313a
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P .56730(10) .40450(10) .24139(9)
O1 .3956(3) .1938(3) -.3547(2)
O2 .6765(3) .3161(3) -.3178(2)
O3 .7493(3) .3403(3) -.1026(2)
O4 .4667(3) .2178(3) -.1407(2)
O5 .6500(3) .4449(3) .3686(2)
O6 .4921(3) .4990(3) .1859(2)
O7 .1122(5) .3777(6) .4958(4)
C1 .3634(5) .1858(5) -.4757(3)
C2 .4685(5) .2984(5) -.4823(3)
C3 .6223(5) .2895(5) -.4426(3)
C4 .8166(4) .3120(4) -.2627(3)
C5 .9152(5) .2975(5) -.3137(3)
C6 1.0545(5) .2956(5) -.2473(4)
C7 1.0957(4) .3111(5) -.1299(4)
C8 .9976(4) .3264(4) -.0778(4)
C9 .8580(4) .3266(4) -.1436(3)
C10 .7767(4) .3315(4) .0138(3)
C11 .6465(4) .3457(4) .0436(3)
C12 .5182(4) .2290(4) -.0195(3)
C13 .3472(4) .1170(4) -.2091(3)
C14 .2679(4) .0350(4) -.1683(3)
C15 .1503(5) -.0631(5) -.2486(4)
C16 .1151(5) -.0789(5) -.3636(4)
C17 .1931(5) .0045(4) -.4051(4)
C18 .3083(4) .1037(4) -.3269(3)
C19 .6903(4) .3625(4) .1740(3)
C20 .4311(4) .2550(4) .2107(3)
C21 .2871(5) .2536(5) .1620(4)
C22 .1808(5) .1431(6) .1447(5)
C23 .2187(5) .0342(5) .1757(4)
C24 .3601(5) .0325(4) .2221(4)
C25 .4664(4) .1419(4) .2395(3)
C26 .086(2) .4000(10) .4110(10)
C27 .079(2) .379(2) .317(2)
Li .5505(7) .3431(7) -.2197(5)
H(1) .267 .194 -.511
H(2) .374 .104 -.513
H(3) .464 .378 -.436
H(4) .439 .302 -.561
H(5) .628 .203 -.476
H(6) .677 .352 -.465
H(7) .888 .289 -.394
H(8) 1.122 .283 -.283
H(9) 1.192 .311 -.085
H(10) 1.026 .336 .003
H(11) .858 .400 .065
H(12) .796 .248 .021
H(13) .618 .420 .021
H(14) .546 .151 -.006
H(15) .443 .241 .008
H(16) .293 .045 -.088
H(17) .093 -.120 -.222
H(18) .037 -.148 -.417
H(19) .168 -.006 -.486
H(20) .709 .281 .188
H(21) .777 .430 .211
H(22) .260 .329 .140
H(23) .082 .143 .111
H(24) .146 -.041 .165
H(25) .386 -.044 .243
H(26) .565 .140 .272
H(27) .800 .558 .453