data_2200545
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m382
_journal_page_last  m383
_publ_section_title
;
Diaquabis(pyridine-2,5-dicarboxylato)cobalt(II)
;
loop_
_publ_author_name
  'Liang, Yucang'
  'Cao, Rong'
  'Hong, Maochun'
  'Shi, QIAN'
  'Sun, Daofeng'
  'Weng, Jiabao'
_chemical_name_common  'C14 H12 Co N2 O10'
_chemical_formula_moiety  'C14 H12 Co N2 O10'
_chemical_formula_sum  'C14 H12 Co N2 O10'
_chemical_formula_weight  427.19
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  8.623(5)
_cell_length_b  12.091(4)
_cell_length_c  15.436(7)
_cell_angle_alpha  90.00
_cell_angle_beta  100.59(4)
_cell_angle_gamma  90.00
_cell_volume  1582.0(12)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.794
_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  .0000  .69456(3)  .2500  .02342(16) Uani d S 1 . . Co
  N  .0211(2)  .72524(15)  .39011(12)  .0234(4) Uani d . 1 . . N
  O1  .2483(3)  .96069(16)  .36084(12)  .0543(6) Uani d . 1 . . O
  O2  .16817(19)  .82089(13)  .27067(10)  .0291(4) Uani d . 1 . . O
  O3  -.1700(2)  .56798(15)  .58909(11)  .0441(5) Uani d . 1 . . O
  O4  -.1320(2)  .72348(14)  .66777(11)  .0397(5) Uani d . 1 . . O
  H4A  -.2001  .6982  .6929  .059 Uiso calc R 1 . . H
  O5  .1760(2)  .57771(14)  .27037(12)  .0378(4) Uani d D 1 . . O
  H5A  .198(4)  .538(2)  .2247(16)  .057 Uiso d D 1 . . H
  H5B  .173(4)  .529(2)  .3146(18)  .077(12) Uiso d D 1 . . H
  C1  .1781(3)  .87315(19)  .34284(15)  .0285(5) Uani d . 1 . . C
  C2  .0975(3)  .82152(17)  .41216(15)  .0236(5) Uani d . 1 . . C
  C3  .1063(3)  .87124(19)  .49306(15)  .0304(6) Uani d . 1 . . C
  H3  .1598  .9378  .5055  .036 Uiso calc R 1 . . H
  C4  .0345(3)  .82071(19)  .55555(15)  .0307(6) Uani d . 1 . . C
  H4  .0365  .8534  .6103  .037 Uiso calc R 1 . . H
  C5  -.0408(3)  .72025(18)  .53497(14)  .0241(5) Uani d . 1 . . C
  C6  -.0446(3)  .67516(18)  .45192(15)  .0246(5) Uani d . 1 . . C
  H6  -.0946  .6075  .4386  .029 Uiso calc R 1 . . H
  C7  -.1205(3)  .6617(2)  .59983(15)  .0265(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  .0338(3)  .0175(2)  .0215(3)  .000  .01177(18)  .000
  N  .0294(10)  .0207(10)  .0214(10)  -.0014(8)  .0083(8)  -.0009(7)
  O1  .0882(16)  .0464(12)  .0336(10)  -.0420(11)  .0251(10)  -.0094(9)
  O2  .0383(10)  .0270(9)  .0265(9)  -.0068(7)  .0178(7)  -.0039(7)
  O3  .0691(13)  .0355(11)  .0324(10)  -.0183(9)  .0213(9)  -.0021(8)
  O4  .0532(12)  .0418(10)  .0307(10)  -.0118(9)  .0252(8)  -.0064(8)
  O5  .0581(12)  .0291(10)  .0305(10)  .0153(8)  .0197(9)  .0050(8)
  C1  .0340(13)  .0244(12)  .0283(13)  -.0055(10)  .0090(10)  .0009(10)
  C2  .0291(12)  .0187(11)  .0243(12)  -.0007(9)  .0081(9)  -.0008(9)
  C3  .0408(14)  .0233(13)  .0288(13)  -.0101(10)  .0111(11)  -.0040(10)
  C4  .0407(14)  .0316(13)  .0222(12)  -.0076(11)  .0118(10)  -.0072(10)
  C5  .0265(12)  .0244(12)  .0225(12)  -.0003(9)  .0070(9)  .0021(9)
  C6  .0321(12)  .0186(11)  .0245(12)  -.0037(9)  .0091(9)  .0002(9)
  C7  .0278(12)  .0306(13)  .0215(12)  -.0013(10)  .0056(9)  .0016(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 O5 2 2.0547(18) ?
  Co O5 . 2.0547(18) yes
  Co O2 . 2.0899(17) yes
  Co O2 2 2.0899(17) ?
  Co N . 2.169(2) yes
  Co N 2 2.169(2) ?
  N C6 . 1.340(3) ?
  N C2 . 1.350(3) ?
  O1 C1 . 1.226(3) ?
  O1 O5 4 2.649(2) yes
  O2 C1 . 1.270(3) ?
  O2 O4 8_565 2.605(3) yes
  O2 O5 . 2.941(2) yes
  O3 C7 . 1.211(3) ?
  O3 O5 5_566 2.802(3) yes
  O4 C7 . 1.306(3) ?
  O4 H4A .  .8200 ?
  O5 H5A .  .903(18) ?
  O5 H5B .  .905(18) ?
  C1 C2 . 1.514(3) ?
  C2 C3 . 1.376(3) ?
  C3 C4 . 1.381(3) ?
  C3 H3 .  .9300 ?
  C4 C5 . 1.386(3) ?
  C4 H4 .  .9300 ?
  C5 C6 . 1.388(3) ?
  C5 C7 . 1.493(3) ?
  C6 H6 .  .9300 ?