data_2014596
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2004
_journal_volume  60
_journal_page_first  m595
_journal_page_last  m597
_publ_section_title
;
Bis(2,2'-bipyridine-\k^2^N,N')(oxalato-\k^2^O,O')cobalt(II) pentahydrate
;
loop_
_publ_author_name
  "\<Sestan, Marijana"
  'Giester, Gerald'
  "Peri\'c, Berislav"
_chemical_formula_moiety  'C22 H16 Co N4 O4 , 5H2 O'
_chemical_formula_sum  'C22 H26 Co N4 O9'
_chemical_formula_structural  '[Co (C10 H8 N2)2 (C2 O4)] , 5H2 O'
_chemical_formula_iupac  '[Co (C2 O4) (C10 H8 N2)2] , 5H2 O'
_chemical_formula_weight  549.40
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,1/2+y,1/2-z
  -x,-y,-z
  x,1/2-y,1/2+z
_cell_length_a  10.001(2)
_cell_length_b  22.861(5)
_cell_length_c  10.844(2)
_cell_angle_alpha  90
_cell_angle_beta  103.57(3)
_cell_angle_gamma  90
_cell_volume  2410.1(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  200(3)
_exptl_crystal_density_diffrn  1.514
_diffrn_ambient_temperature  200(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_type_symbol
  Co 0.34837(3) 0.109310(10)
  0.20159(3) 0.02170(10)
  Uani . . 1.000 Co
  O1 0.37199(14) 0.03005(6) 0.30112(16) 0.0284(5) Uani . . 1.000 O
  O2 0.18640(15) 0.10765(6) 0.28336(16) 0.0285(5) Uani . . 1.000 O
  O11 0.26261(19) -0.03588(8) 0.3881(2) 0.0600(8) Uani . . 1.000 O
  O22 0.09613(17) 0.05168(8) 0.41702(18) 0.0408(6) Uani . . 1.000 O
  N11 0.24973(18) 0.07340(8) 0.00717(19) 0.0288(6) Uani . . 1.000 N
  N12 0.49447(19) 0.09560(8) 0.09472(19) 0.0267(5) Uani . . 1.000 N
  N21 0.46502(16) 0.15650(8) 0.36772(18) 0.0236(5) Uani . . 1.000 N
  N22 0.31238(17) 0.19805(8) 0.14104(18) 0.0247(5) Uani . . 1.000 N
  C1 0.2787(2) 0.01383(9) 0.3483(2) 0.0283(7) Uani . . 1.000 C
  C2 0.1769(2) 0.06156(9) 0.3516(2) 0.0252(6) Uani . . 1.000 C
  C11 0.1239(2) 0.06317(11) -0.0311(3) 0.0367(8) Uani . . 1.000 C
  C12 0.0657(3) 0.04060(12) -0.1579(3) 0.0437(9) Uani . . 1.000 C
  C13 0.1381(3) 0.02838(12) -0.2499(3) 0.0445(9) Uani . . 1.000 C
  C14 0.2667(3) 0.03866(11) -0.2125(3) 0.0377(8) Uani . . 1.000 C
  C15 0.3207(2) 0.06134(9) -0.0832(2) 0.0275(7) Uani . . 1.000 C
  C16 0.4583(2) 0.07438(9) -0.0340(2) 0.0273(7) Uani . . 1.000 C
  C17 0.5446(3) 0.06548(10) -0.1154(3) 0.0347(8) Uani . . 1.000 C
  C18 0.6706(3) 0.07939(11) -0.0625(3) 0.0409(9) Uani . . 1.000 C
  C19 0.7083(3) 0.10081(11) 0.0698(3) 0.0416(9) Uani . . 1.000 C
  C21 0.5438(2) 0.13265(10) 0.4776(2) 0.0284(7) Uani . . 1.000 C
  C22 0.6232(2) 0.16559(11) 0.5787(2) 0.0320(7) Uani . . 1.000 C
  C23 0.6215(2) 0.22576(11) 0.5643(3) 0.0357(8) Uani . . 1.000 C
  C24 0.5417(2) 0.25079(10) 0.4512(2) 0.0329(7) Uani . . 1.000 C
  C25 0.46306(19) 0.21564(9) 0.3543(2) 0.0233(6) Uani . . 1.000 C
  C26 0.3730(2) 0.23856(9) 0.2312(2) 0.0241(6) Uani . . 1.000 C
  C27 0.3490(2) 0.29794(10) 0.2079(2) 0.0320(7) Uani . . 1.000 C
  C28 0.2631(3) 0.31571(11) 0.0905(3) 0.0365(8) Uani . . 1.000 C
  C29 0.2031(2) 0.27473(11) -0.0017(3) 0.0360(8) Uani . . 1.000 C
  C110 0.6175(2) 0.10822(10) 0.1450(3) 0.0329(7) Uani . . 1.000 C
  C210 0.2300(2) 0.21628(10) 0.0270(2) 0.0299(7) Uani . . 1.000 C
  O5 -0.09322(19) 0.10425(8) 0.5176(2) 0.0390(6) Uani . . 1.000 O
  O6 0.0140(2) 0.18470(10) 0.7282(2) 0.0493(7) Uani . . 1.000 O
  O7 -0.18266(18) 0.19293(9) 0.33292(19) 0.0416(6) Uani . . 1.000 O
  O8 -0.00548(18) 0.31158(8) 0.68004(19) 0.0392(6) Uani . . 1.000 O
  O9 -0.1433(2) 0.30887(10) 0.4059(2) 0.0486(7) Uani . . 1.000 O
  H11 0.06595 0.07016 0.02297 0.0441 Uiso . . 1.000 H
  H12 -0.02860 0.03373 -0.17945 0.0524 Uiso . . 1.000 H
  H13 0.09705 0.01419 -0.33021 0.0534 Uiso . . 1.000 H
  H14 0.32541 0.03194 -0.26601 0.0452 Uiso . . 1.000 H
  H17 0.51555 0.05130 -0.19774 0.0416 Uiso . . 1.000 H
  H18 0.73808 0.07585 -0.10826 0.0491 Uiso . . 1.000 H
  H19 0.80018 0.10986 0.10416 0.0496 Uiso . . 1.000 H
  H21 0.54474 0.09214 0.48574 0.0341 Uiso . . 1.000 H
  H22 0.67433 0.14769 0.65167 0.0384 Uiso . . 1.000 H
  H23 0.67206 0.24950 0.62814 0.0429 Uiso . . 1.000 H
  H24 0.54140 0.29118 0.44078 0.0395 Uiso . . 1.000 H
  H27 0.38862 0.32556 0.26849 0.0384 Uiso . . 1.000 H
  H28 0.24650 0.35533 0.07446 0.0438 Uiso . . 1.000 H
  H29 0.14731 0.28628 -0.07904 0.0432 Uiso . . 1.000 H
  H110 0.64489 0.12172 0.22806 0.0395 Uiso . . 1.000 H
  H210 0.19103 0.18824 -0.03286 0.0359 Uiso . . 1.000 H
  H51 -0.130(3) 0.0771(10) 0.547(2) 0.039(8) Uiso . . 1.000 H
  H52 -0.053(3) 0.0885(13) 0.467(3) 0.058(10) Uiso . . 1.000 H
  H61 0.020(4) 0.2166(10) 0.694(3) 0.073(12) Uiso . . 1.000 H
  H62 -0.025(4) 0.1656(14) 0.663(3) 0.083(14) Uiso . . 1.000 H
  H71 -0.171(3) 0.2259(9) 0.369(3) 0.051(9) Uiso . . 1.000 H
  H72 -0.162(4) 0.1686(13) 0.395(3) 0.086(14) Uiso . . 1.000 H
  H81 0.045(3) 0.3388(11) 0.712(3) 0.063(10) Uiso . . 1.000 H
  H82 -0.062(4) 0.3091(18) 0.729(3) 0.094(14) Uiso . . 1.000 H
  H91 -0.103(3) 0.3120(14) 0.4815(17) 0.050(10) Uiso . . 1.000 H
  H92 -0.093(3) 0.3115(16) 0.353(3) 0.070(12) Uiso . . 1.000 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 0.01760(10)
  0.0198(2) 0.0280(2) -0.00140(10)
  0.00590(10)
  -0.00120(10)
  O1 0.0207(7) 0.0229(8) 0.0436(10) 0.0009(6) 0.0114(7) 0.0011(7)
  O2 0.0195(7) 0.0239(8) 0.0442(10) 0.0025(6) 0.0115(7) 0.0010(7)
  O11 0.0350(10) 0.0335(10) 0.1173(19) 0.0047(8) 0.0297(11) 0.0310(11)
  O22 0.0300(8) 0.0426(10) 0.0575(12) -0.0025(7) 0.0256(9) -0.0021(9)
  N11 0.0256(8) 0.0258(10) 0.0341(11) -0.0028(7) 0.0050(8) -0.0025(8)
  N12 0.0241(8) 0.0227(9) 0.0355(11) -0.0028(7) 0.0115(8) -0.0015(8)
  N21 0.0175(8) 0.0217(9) 0.0316(11) 0.0012(6) 0.0060(7) -0.0007(8)
  N22 0.0203(8) 0.0231(9) 0.0306(11) -0.0014(7) 0.0061(8) 0.0018(8)
  C1 0.0234(10) 0.0243(11) 0.0364(14) -0.0020(8) 0.0057(10) 0.0031(10)
  C2 0.0209(9) 0.0264(11) 0.0285(12) -0.0044(8) 0.0062(9) -0.0053(9)
  C11 0.0258(11) 0.0365(14) 0.0441(15) -0.0066(9) 0.0007(10) -0.0025(11)
  C12 0.0385(13) 0.0376(14) 0.0476(17) -0.0086(11) -0.0046(12) -0.0007(12)
  C13 0.0535(16) 0.0349(14) 0.0351(15) -0.0084(12) -0.0098(12) -0.0031(12)
  C14 0.0500(15) 0.0290(12) 0.0340(14) -0.0044(11) 0.0097(12) -0.0028(11)
  C15 0.0343(11) 0.0191(10) 0.0287(13) -0.0006(8) 0.0068(10) 0.0006(9)
  C16 0.0334(11) 0.0180(10) 0.0336(13) 0.0007(8) 0.0140(10) 0.0013(9)
  C17 0.0450(14) 0.0264(12) 0.0382(15) 0.0038(10) 0.0211(12) -0.0005(10)
  C18 0.0401(13) 0.0328(14) 0.0602(19) 0.0060(11) 0.0327(13) 0.0033(12)
  C19 0.0268(11) 0.0351(14) 0.068(2) -0.0013(9) 0.0217(12) 0.0026(13)
  C21 0.0232(10) 0.0264(11) 0.0350(14) 0.0022(9) 0.0054(9) 0.0009(10)
  C22 0.0221(10) 0.0404(14) 0.0307(13) 0.0038(9) 0.0005(9) -0.0008(11)
  C23 0.0262(11) 0.0365(13) 0.0411(15) -0.0047(10) 0.0011(10) -0.0124(11)
  C24 0.0282(11) 0.0242(11) 0.0447(15) -0.0025(9) 0.0054(10) -0.0057(10)
  C25 0.0182(9) 0.0228(10) 0.0297(12) 0.0007(8) 0.0073(9) -0.0026(9)
  C26 0.0199(9) 0.0232(10) 0.0312(12) -0.0013(8) 0.0098(9) -0.0001(9)
  C27 0.0318(11) 0.0225(11) 0.0415(15) -0.0004(9) 0.0082(11) -0.0017(10)
  C28 0.0367(12) 0.0265(12) 0.0477(16) 0.0062(10) 0.0128(12) 0.0092(11)
  C29 0.0298(11) 0.0394(14) 0.0379(14) 0.0058(10) 0.0062(10) 0.0138(12)
  C110 0.0266(11) 0.0313(12) 0.0431(15) -0.0051(9) 0.0127(10) -0.0037(11)
  C210 0.0248(10) 0.0315(12) 0.0322(13) -0.0024(9) 0.0040(9) 0.0042(10)
  O5 0.0341(9) 0.0303(10) 0.0568(13) 0.0004(7) 0.0192(9) 0.0013(9)
  O6 0.0500(12) 0.0476(12) 0.0526(14) -0.0059(10) 0.0165(11) -0.0037(11)
  O7 0.0306(9) 0.0487(12) 0.0444(12) 0.0004(8) 0.0065(9) -0.0014(10)
  O8 0.0294(9) 0.0441(11) 0.0448(12) -0.0097(8) 0.0103(8) -0.0069(9)
  O9 0.0412(11) 0.0595(13) 0.0461(14) 0.0080(9) 0.0120(10) -0.0067(11)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Co O1 . . 2.0939(15) yes
  Co O2 . . 2.0213(17) yes
  Co N11 . . 2.262(2) yes
  Co N12 . . 2.091(2) yes
  Co N21 . . 2.1872(19) yes
  Co N22 . . 2.1367(19) yes
  O1 C1 . . 1.222(3) no
  O2 C2 . . 1.304(3) no
  O11 C1 . . 1.239(3) no
  O22 C2 . . 1.215(3) no
  O5 H52 . . 0.83(3) no
  O5 H51 . . 0.82(2) no
  O6 H61 . . 0.83(3) no
  O6 H62 . . 0.85(3) no
  O7 H71 . . 0.85(2) no
  O7 H72 . . 0.86(3) no
  O8 H81 . . 0.83(3) no
  O8 H82 . . 0.86(4) no
  N11 C11 . . 1.251(3) no
  N11 C15 . . 1.366(3) no
  N12 C16 . . 1.441(3) no
  N12 C110 . . 1.257(3) no
  N21 C25 . . 1.360(3) no
  N21 C21 . . 1.377(3) no
  N22 C210 . . 1.380(3) no
  N22 C26 . . 1.380(3) no
  O9 H92 . . 0.85(3) no
  O9 H91 . . 0.83(2) no
  C1 C2 . . 1.499(3) no
  C11 C12 . . 1.456(4) no
  C12 C13 . . 1.392(4) no
  C13 C14 . . 1.276(4) no
  C14 C15 . . 1.474(4) no
  C15 C16 . . 1.387(3) no
  C16 C17 . . 1.387(4) no
  C17 C18 . . 1.296(4) no
  C18 C19 . . 1.479(4) no
  C19 C110 . . 1.366(4) no
  C21 C22 . . 1.411(3) no
  C22 C23 . . 1.384(4) no
  C23 C24 . . 1.418(4) no
  C24 C25 . . 1.407(3) no
  C25 C26 . . 1.518(3) no
  C26 C27 . . 1.391(3) no
  C27 C28 . . 1.418(4) no
  C28 C29 . . 1.399(4) no
  C29 C210 . . 1.384(3) no
  C11 H11 . . 0.9299 no
  C12 H12 . . 0.9302 no
  C13 H13 . . 0.9297 no
  C14 H14 . . 0.9300 no
  C17 H17 . . 0.9301 no
  C18 H18 . . 0.9303 no
  C19 H19 . . 0.9302 no
  C21 H21 . . 0.9301 no
  C22 H22 . . 0.9302 no
  C23 H23 . . 0.9302 no
  C24 H24 . . 0.9302 no
  C27 H27 . . 0.9302 no
  C28 H28 . . 0.9299 no
  C29 H29 . . 0.9300 no
  C110 H110 . . 0.9305 no
  C210 H210 . . 0.9303 no