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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2000238.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_2000238
loop_
_publ_author_name
'Honey, G. E.'
'Steel, P. J.'
_publ_section_title
;
 Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2247
_journal_page_last               2249
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C20 H14 N4'
_chemical_formula_weight         310.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.02(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.434(8)
_cell_length_b                   6.110(4)
_cell_length_c                   13.322(10)
_cell_volume                     741.7
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             324
_[local]_cod_data_source_file    ab0207.cif
_[local]_cod_data_source_block   ab0207a
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N(1) .2721(2) .6172(3) .83030(10) .0260(10)
C(2) .2284(3) .5881(3) .9174(2) .0220(10)
C(3) .1265(3) .7245(4) .9450(2) .0250(10)
C(4) .0713(3) .9010(4) .8817(2) .0290(10)
C(5) .1172(3) .9344(4) .7929(2) .0290(10)
C(6) .2173(3) .7888(4) .7704(2) .0280(10)
N(1') .2545(2) .3743(3) 1.07270(10) .0270(10)
C(2') .2931(3) .3978(3) .9836(2) .0210(10)
C(3') .3896(3) .2563(3) .9536(2) .0220(10)
C(4') .4491(3) .0782(3) 1.0157(2) .0210(10)
C(5') .4081(3) .0552(4) 1.1084(2) .0260(10)
C(6') .3129(3) .2040(4) 1.1328(2) .0280(10)
H(3) .0950 .6966 1.0068 ?
H(4) .0019 .9988 .8995 ?
H(5) .0808 1.0556 .7477 ?
H(6) .2491 .8124 .7084 ?
H(3') .4157 .2812 .8894 ?
H(5') .4462 -.0633 1.1549 ?
H(6') .2864 .1846 1.1971 ?
_cod_database_code 2000238