data_2008587
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  911
_journal_page_last  913
_publ_section_title
;
Disodium hexaaquacobalt(II) bis[dihydrogen
1,2,4,5-benzenetetracarboxylate(2-)] tetrahydrate
;
loop_
_publ_author_name
  "Karanovi\'c, Ljiljana"
  'Poleti, Dejan'
  "Bogdanovi\'c, Goran A."
  "Spasojevi\'c-de Bir\'e, Anne"
_chemical_formula_moiety  '2C10 H4 O8, CoH12  O6 2- , 4H2 O, 2Na+'
_chemical_formula_sum  'C20 H28 Co Na2 O26'
_chemical_formula_structural  'Na2 (Co (H2 O)6) (C10 H4 O8)2 .(H2 O)4'
_chemical_formula_iupac  'Na2 [Co (H2 O)6] (C10 H4 O8)2 , 4H2 O'
_chemical_formula_weight  789.33
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'x, -y, z'
  'x+1/2, y+1/2, z'
  'x+1/2, -y+1/2, z'
  '-x, -y, -z'
  '-x, y, -z'
  '-x+1/2, -y+1/2, -z'
  '-x+1/2, y+1/2, -z'
_cell_length_a  7.320(4)
_cell_length_b  20.150(5)
_cell_length_c  10.448(3)
_cell_angle_alpha  90.00
_cell_angle_beta  103.33(4)
_cell_angle_gamma  90.00
_cell_volume  1499.5(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  299(3)
_exptl_crystal_density_diffrn  1.748
_diffrn_ambient_temperature  299(3)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Co  .0000  .0000  .0000  .0276(2) Uani d S 1 . Co
  Na  -.3168(2)  .0000  -.32640(13)  .0410(3) Uani d S 1 . Na
  O1  .0000  .10198(11)  .0000  .0410(6) Uani d S 1 . O
  O2  -.2917(3)  .0000  -.0833(2)  .0343(5) Uani d S 1 . O
  O3  -.0282(4)  .0000  .1972(2)  .0367(5) Uani d S 1 . O
  O4  .3107(2)  .39593(8)  .3010(2)  .0407(4) Uani d . 1 . O
  O5  .2016(3)  .31233(9)  .1738(2)  .0553(5) Uani d . 1 . O
  O6  .3064(3)  .11200(8)  .3033(2)  .0528(5) Uani d . 1 . O
  O7  .1999(3)  .19404(9)  .1733(2)  .0556(6) Uani d . 1 . O
  O8  .6680(5)  .0000  .4359(3)  .0549(7) Uani d S 1 . O
  O9  .5000  .09615(11)  .0000  .0369(5) Uani d S 1 . O
  C1  .5000  .32083(13)  .5000  .0278(6) Uani d S 1 . C
  H6  .5000  .36698(13)  .5000  .033 Uiso calc SR 1 . H
  C2  .3974(3)  .28895(9)  .3886(2)  .0271(4) Uani d . 1 . C
  C3  .3975(3)  .21888(9)  .3887(2)  .0277(4) Uani d . 1 . C
  C4  .5000  .18714(14)  .5000  .0279(6) Uani d S 1 . C
  H4  .5000  .14098(14)  .5000  .033 Uiso calc SR 1 . H
  C5  .2968(3)  .33584(11)  .2808(2)  .0323(4) Uani d . 1 . C
  C6  .2962(3)  .17102(10)  .2827(2)  .0342(5) Uani d . 1 . C
  H1  .058(5)  .1283(16)  .051(4)  .073(11) Uiso d . 1 . H
  H2  -.346(4)  -.0290(13)  -.067(3)  .042(8) Uiso d . 1 . H
  H3  -.086(5)  -.0290(15)  .215(3)  .057(10) Uiso d . 1 . H
  H5  .197(7)  .253(2)  .181(5)  .101(15) Uiso d . 1 . H
  H7  .436(5)  .1241(16)  -.056(4)  .070(10) Uiso d . 1 . H
  H8  .727(6)  -.0318(19)  .417(5)  .105(16) Uiso d . 1 . H
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  .0357(3)  .0208(3)  .0247(3)  .000  .0037(2)  .000
  Na  .0601(9)  .0225(6)  .0372(7)  .000  .0048(6)  .000
  O1  .0564(15)  .0215(11)  .0349(12)  .000  -.0109(10)  .000
  O2  .0365(12)  .0253(11)  .0407(13)  .000  .0079(10)  .000
  O3  .0511(14)  .0233(10)  .0389(13)  .000  .0170(11)  .000
  O4  .0582(11)  .0232(8)  .0380(8)  .0031(7)  .0053(7)  .0055(6)
  O5  .0791(14)  .0309(9)  .0398(10)  .0022(8)  -.0191(9)  .0044(7)
  O6  .0780(14)  .0226(9)  .0465(10)  -.0046(8)  -.0089(9)  -.0043(7)
  O7  .0780(14)  .0316(9)  .0402(10)  -.0030(8)  -.0211(9)  -.0036(7)
  O8  .079(2)  .0356(14)  .059(2)  .000  .034(2)  .000
  O9  .0453(13)  .0257(10)  .0336(11)  .000  -.0036(9)  .000
  C1  .0343(14)  .0182(12)  .0307(14)  .000  .0071(11)  .000
  C2  .0311(9)  .0235(9)  .0251(9)  .0016(7)  .0032(7)  .0014(7)
  C3  .0322(9)  .0222(9)  .0267(9)  -.0015(7)  .0030(7)  -.0006(7)
  C4  .0353(14)  .0186(12)  .0285(14)  .000  .0045(11)  .000
  C5  .0380(10)  .0266(10)  .0301(10)  .0021(8)  .0035(8)  .0037(8)
  C6  .0412(11)  .0249(10)  .0325(11)  -.0022(8)  .0003(8)  -.0035(8)
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 O1 . 2.055(2) ?
  Co O1 5 2.055(2) ?
  Co O2 5 2.112(3) ?
  Co O2 . 2.112(3) ?
  Co O3 5 2.117(2) ?
  Co O3 . 2.117(2) ?
  Na O6 6 2.269(2) ?
  Na O6 5 2.269(2) ?
  Na O8 1_454 2.460(3) ?
  Na O2 . 2.503(3) ?
  Na O8 5 2.561(4) ?
  Na O3 5 2.575(3) ?
  Na Na 5_454 3.983(3) ?
  O3 Na 5 2.575(3) ?
  O4 C5 . 1.229(3) ?
  O5 C5 . 1.264(3) ?
  O6 C6 . 1.208(3) ?
  O6 Na 5 2.269(2) ?
  O7 C6 . 1.283(3) ?
  O8 Na 1_656 2.460(3) ?
  O8 Na 5 2.561(4) ?
  C1 C2 . 1.388(2) ?
  C1 C2 6_656 1.388(2) ?
  C2 C3 . 1.412(3) ?
  C2 C5 . 1.524(3) ?
  C3 C4 . 1.386(2) ?
  C3 C6 . 1.526(3) ?
  C4 C3 6_656 1.386(2) ?