#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2200673.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_2200673
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m587
_journal_page_last  m588
_publ_section_title
;
Dichlorobis(quinoline-N)cobalt(II)
;
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 2/n'
loop_
_publ_author_name
  'Wang, Wenguo'
  'Huang, Deguang'
  'Zhu, Hongping'
  'Chen, Changneng'
  'Liu, Qiutian'
_chemical_name_common  'C18 H14 Cl2 Co  N2'
_chemical_formula_moiety  'C18 H14 Cl2 Co  N2 '
_chemical_formula_sum            'C18 H14 Cl2 Co N2'
_[local]_cod_chemical_formula_sum_orig 'C18 H14 Cl2 Co  N2'
_chemical_formula_iupac  '[Co Cl2 (C9 H7 N)2]'
_chemical_formula_weight  388.14
_symmetry_cell_setting  Monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y, z-1/2'
_cell_length_a  7.7864(8)
_cell_length_b  7.0874(7)
_cell_length_c  14.5616(15)
_cell_angle_alpha  90.00
_cell_angle_beta  90.174(2)
_cell_angle_gamma  90.00
_cell_volume  803.58(14)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.604
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Co  .2500  .30796(6)  .2500  .03620(17) Uani d S 1 . . Co
  Cl  .00916(9)  .13418(10)  .25389(4)  .0511(2) Uani d . 1 . . Cl
  N  .2226(3)  .4813(3)  .36339(12)  .0346(4) Uani d . 1 . . N
  C1  .1539(3)  .6516(3)  .35280(17)  .0425(6) Uani d . 1 . . C
  H1  .1247  .6893  .2936  .051 Uiso calc R 1 . . H
  C2  .1224(4)  .7778(3)  .42432(19)  .0480(6) Uani d . 1 . . C
  H2  .0740  .8954  .4126  .058 Uiso calc R 1 . . H
  C3  .1638(4)  .7254(3)  .51173(19)  .0464(6) Uani d . 1 . . C
  H3  .1449  .8075  .5605  .056 Uiso calc R 1 . . H
  C5  .2784(4)  .4821(4)  .61718(16)  .0477(7) Uani d . 1 . . C
  H5  .2639  .5618  .6673  .057 Uiso calc R 1 . . H
  C4  .2355(3)  .5460(3)  .52753(15)  .0361(5) Uani d . 1 . . C
  C7  .3650(4)  .1845(4)  .55494(18)  .0464(6) Uani d . 1 . . C
  H7  .4072  .0634  .5648  .056 Uiso calc R 1 . . H
  C6  .3404(4)  .3051(4)  .63000(17)  .0483(7) Uani d . 1 . . C
  H6  .3668  .2636  .6890  .058 Uiso calc R 1 . . H
  C8  .3280(3)  .2417(4)  .46766(16)  .0405(6) Uani d . 1 . . C
  H8  .3459  .1603  .4185  .049 Uiso calc R 1 . . H
  C9  .2625(3)  .4247(3)  .45214(14)  .0319(5) Uani d . 1 . . C
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Co  .0497(3)  .0354(3)  .0234(2)  .000  -.00188(19)  .000
  Cl  .0620(5)  .0537(4)  .0376(4)  -.0154(3)  .0020(3)  .0023(3)
  N  .0417(11)  .0349(10)  .0271(9)  .0022(8)  -.0024(8)  -.0009(8)
  C1  .0480(15)  .0445(13)  .0350(13)  .0070(11)  -.0011(11)  .0049(10)
  C2  .0590(17)  .0330(13)  .0519(16)  .0079(12)  .0055(13)  .0016(11)
  C3  .0615(17)  .0347(13)  .0429(14)  -.0025(12)  .0093(13)  -.0088(11)
  C5  .0609(17)  .0561(16)  .0261(12)  -.0030(13)  -.0015(11)  -.0081(11)
  C4  .0393(13)  .0390(13)  .0301(11)  -.0048(10)  .0000(9)  -.0052(9)
  C7  .0521(16)  .0518(15)  .0354(13)  .0129(12)  .0012(12)  .0086(11)
  C6  .0511(16)  .0671(18)  .0267(12)  .0033(13)  -.0043(11)  .0061(12)
  C8  .0510(15)  .0408(12)  .0298(12)  .0084(11)  .0022(10)  -.0004(10)
  C9  .0358(12)  .0352(11)  .0246(10)  -.0002(10)  .0003(9)  -.0004(9)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Co N . 2.0697(18) yes
  Co N 2 2.0697(18) yes
  Co Cl . 2.2445(7) yes
  Co Cl 2 2.2445(7) yes
  N C1 . 1.329(3) yes
  N C9 . 1.388(3) yes
  C1 C2 . 1.395(4) yes
  C2 C3 . 1.364(4) yes
  C3 C4 . 1.407(3) ?
  C5 C6 . 1.357(4) ?
  C5 C4 . 1.421(3) yes
  C4 C9 . 1.411(3) ?
  C7 C8 . 1.364(3) yes
  C7 C6 . 1.401(4) ?
  C8 C9 . 1.412(3) ?
_cod_database_code 2200673