data_2014603
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2005
_journal_volume  61
_journal_page_first  m61
_journal_page_last  m63
_publ_section_title
;
Poly[[diaquacobalt(II)]-\m-4,4'-bipyridine-\k^2^N:N'-\m-p-
phenylenebis(oxyacetato)-\k^2^O:O']
;
loop_
_publ_author_name
  'Yu-Mei Dai'
  'En Tang'
  'Zhao-Ji Li'
  'Yuan-Gen Yao'
_chemical_formula_moiety  'C20 H20 Co N2 O8'
_chemical_formula_sum  'C20 H20 Co N2 O8'
_chemical_formula_iupac  '[Co (C10 H8 O6) (C10 H8 N2) (H2 O)2]'
_chemical_formula_weight  475.31
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  5.7600(10)
_cell_length_b  8.1770(10)
_cell_length_c  10.639(2)
_cell_angle_alpha  106.100(10)
_cell_angle_beta  96.910(10)
_cell_angle_gamma  97.400(10)
_cell_volume  470.98(14)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.676
_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
  Co1 0.0000 0.0000 0.0000 0.0258(4) Uani d S 1 . . Co
  O1W 0.3257(8) 0.1436(6) -0.0176(4) 0.0340(10) Uani d D 1 . . O
  H1WB 0.256(13) 0.213(8) -0.043(8) 0.051 Uiso d D 1 . . H
  H1WA 0.424(11) 0.112(10) -0.066(6) 0.051 Uiso d D 1 . . H
  O1 0.5229(8) -0.2380(6) 0.2600(4) 0.0373(11) Uani d . 1 . . O
  O2 -0.0798(8) -0.3480(6) 0.1046(5) 0.0439(12) Uani d . 1 . . O
  O3 0.2021(7) -0.1340(5) 0.0994(4) 0.0289(10) Uani d . 1 . . O
  N1 0.0041(9) 0.1961(6) 0.1866(5) 0.0288(11) Uani d . 1 . . N
  C1 0.6967(12) 0.0057(10) 0.4390(7) 0.0377(16) Uani d . 1 . . C
  H1 0.827(12) 0.013(9) 0.390(7) 0.035(18) Uiso d . 1 . . H
  C2 0.4983(11) -0.1217(9) 0.3782(6) 0.0333(14) Uani d . 1 . . C
  C3 0.3004(12) -0.1247(9) 0.4394(6) 0.0354(15) Uani d . 1 . . C
  H3 0.148(11) -0.219(8) 0.388(6) 0.025(15) Uiso d . 1 . . H
  C4 0.3146(12) -0.3576(9) 0.1871(7) 0.0364(15) Uani d . 1 . . C
  H4A 0.2449 -0.4144 0.2458 0.044 Uiso calc R 1 . . H
  H4B 0.3599 -0.4455 0.1168 0.044 Uiso calc R 1 . . H
  C5 0.1284(11) -0.2722(8) 0.1262(6) 0.0272(13) Uani d . 1 . . C
  C6 0.1777(11) 0.2226(8) 0.2897(6) 0.0311(14) Uani d . 1 . . C
  H6 0.3010 0.1597 0.2782 0.037 Uiso calc R 1 . . H
  C7 0.1815(11) 0.3394(8) 0.4123(6) 0.0318(14) Uani d . 1 . . C
  H7 0.3054 0.3526 0.4809 0.038 Uiso calc R 1 . . H
  C8 0.0019(10) 0.4370(7) 0.4339(5) 0.0259(13) Uani d . 1 . . C
  C9 -0.1754(12) 0.4119(9) 0.3260(6) 0.0366(16) Uani d . 1 . . C
  H9 -0.2991 0.4749 0.3339 0.044 Uiso calc R 1 . . H
  C10 -0.1655(11) 0.2915(9) 0.2062(6) 0.0375(16) Uani d . 1 . . C
  H10 -0.2855 0.2768 0.1352 0.045 Uiso calc R 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
  Co1 0.0285(7) 0.0272(6) 0.0192(6) 0.0064(5) 0.0042(4) 0.0020(5)
  O1W 0.031(3) 0.042(3) 0.031(2) 0.008(2) 0.0082(19) 0.012(2)
  O1 0.032(2) 0.047(3) 0.031(2) 0.010(2) 0.0062(19) 0.006(2)
  O2 0.032(3) 0.042(3) 0.061(3) 0.005(2) 0.011(2) 0.020(2)
  O3 0.028(2) 0.034(2) 0.023(2) 0.0085(18) 0.0004(17) 0.0072(18)
  N1 0.024(3) 0.029(3) 0.027(3) 0.003(2) 0.002(2) -0.002(2)
  C1 0.030(4) 0.055(4) 0.034(4) 0.010(3) 0.011(3) 0.018(3)
  C2 0.030(3) 0.039(4) 0.037(4) 0.013(3) 0.007(3) 0.019(3)
  C3 0.032(4) 0.044(4) 0.029(3) 0.004(3) 0.004(3) 0.011(3)
  C4 0.039(4) 0.036(4) 0.036(4) 0.015(3) 0.006(3) 0.010(3)
  C5 0.031(3) 0.029(3) 0.021(3) 0.010(3) 0.006(2) 0.003(2)
  C6 0.036(4) 0.029(3) 0.025(3) 0.010(3) 0.004(3) 0.000(2)
  C7 0.035(4) 0.035(3) 0.019(3) 0.012(3) -0.005(2) -0.001(2)
  C8 0.030(3) 0.026(3) 0.019(3) 0.002(2) 0.001(2) 0.004(2)
  C9 0.035(4) 0.049(4) 0.023(3) 0.022(3) 0.000(3) 0.001(3)
  C10 0.028(3) 0.049(4) 0.025(3) 0.008(3) -0.005(3) -0.002(3)
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
  Co1 O3 2 2.086(4) yes
  Co1 O3 . 2.086(4) no
  Co1 O1W . 2.138(5) yes
  Co1 O1W 2 2.138(5) no
  Co1 N1 2 2.174(5) yes
  Co1 N1 . 2.174(5) no
  O1W H1WB . 0.82(7) no
  O1W H1WA . 0.83(6) no
  O1 C2 . 1.386(8) no
  O1 C4 . 1.432(8) no
  O2 C5 . 1.240(7) no
  O3 C5 . 1.274(7) no
  N1 C10 . 1.327(8) no
  N1 C6 . 1.341(8) no
  C1 C3 2_656 1.383(10) no
  C1 C2 . 1.396(10) no
  C1 H1 . 0.97(7) no
  C2 C3 . 1.380(9) no
  C3 C1 2_656 1.383(10) no
  C3 H3 . 1.07(6) no
  C4 C5 . 1.528(8) no
  C4 H4A . 0.9700 no
  C4 H4B . 0.9700 no
  C6 C7 . 1.382(8) no
  C6 H6 . 0.9300 no
  C7 C8 . 1.388(8) no
  C7 H7 . 0.9300 no
  C8 C9 . 1.392(8) no
  C8 C8 2_566 1.499(11) no
  C9 C10 . 1.390(9) no
  C9 H9 . 0.9300 no
  C10 H10 . 0.9300 no