data_2008237
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  300
_journal_page_last  302
_publ_section_title
;
trans-Diaquabis(quinoline-2-carboxylato-N,O)cobalt(II)--water--ethanol
(1/2/2)
;
loop_
_publ_author_name
  'Okabe, Nobuo'
  'Makino, Tomomi'
_chemical_formula_moiety  ' [Co(C10H6NO2)~2~(H2O)~2~](H2O)~2~(C2H5OH)~2~'
_chemical_formula_sum  'C24 H32 N2 O10 Co'
_chemical_formula_iupac  '[Co (C10 H6 N1 O2)2 (H2 O1)2], 2H2 O1, 2C2 H6 O1'
_chemical_formula_weight  567.452
_symmetry_cell_setting  'triclinic'
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
_cell_length_a  9.0270(10)
_cell_length_b  11.095(3)
_cell_length_c  7.275(2)
_cell_angle_alpha  106.23(2)
_cell_angle_beta  108.02(2)
_cell_angle_gamma  78.09(2)
_cell_volume  659.5(2)
_cell_formula_units_Z  1
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  1.429
_refine_ls_R_factor_obs  0.063
_refine_ls_wR_factor_obs  0.097
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Co1 0 0.5 0.5
  O1 0.0612(2) 0.6597(2) 0.0920(3)
  O2 -0.0346(2) 0.6088(2) 0.3027(3)
  O3 -0.1053(2) 0.3527(2) 0.2701(3)
  O4 0.0890(4) 0.1076(2) 0.7873(4)
  O5 1.0058(3) 0.1290(2) 0.3793(4)
  N1 0.2181(2) 0.4422(2) 0.3980(3)
  C1 0.0686(3) 0.5963(2) 0.2122(4)
  C2 0.2116(3) 0.5004(2) 0.2589(4)
  C3 0.3305(4) 0.4792(3) 0.1614(4)
  C4 0.4599(4) 0.3963(3) 0.2131(4)
  C5 0.6069(3) 0.2465(3) 0.4230(5)
  C6 0.6148(4) 0.1876(4) 0.5672(6)
  C7 0.4915(4) 0.2129(3) 0.6570(5)
  C8 0.3608(3) 0.2963(3) 0.6012(5)
  C9 0.3486(3) 0.3577(3) 0.4514(4)
  C10 0.4739(3) 0.3327(3) 0.3609(4)
  C11 0.2705(6) 0.0398(5) 1.0664(8)
  C12 0.2455(6) 0.0996(4) 0.9069(8)
  H(3) 0.3201 0.5223 0.0614
  H(4) 0.5414 0.3809 0.1490
  H(5) 0.6912 0.2293 0.3635
  H(6) 0.7044 0.1289 0.6072
  H(7) 0.4989 0.1721 0.7584
  H(8) 0.2786 0.3127 0.6640
  H(9) -0.084(5) 0.347(4) 0.169(6)
  H(10) -0.066(5) 0.260(4) 0.306(6)
  H(11) 0.3787 0.0403 1.1397
  H(12) 0.2502 -0.0451 1.0108
  H(13) 0.2054 0.0838 1.1469
  H(14) 0.3119 0.0545 0.8252
  H(15) 0.2710 0.1839 0.9629
  H(16) 0.029(6) 0.180(5) 0.835(7)
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 0.0299(3) 0.0290(3) 0.0235(3) -0.0007(2) 0.0120(2) 0.0108(2)
  O1 0.0570(10)
  0.0430(10)
  0.0320(10)
  -0.0020(10)
  0.0210(10)
  0.0190(10)
  O2 0.0350(10)
  0.0380(10)
  0.0330(10)
  0.0043(8) 0.0163(8) 0.0179(9)
  O3 0.0460(10)
  0.0410(10)
  0.0290(10)
  -0.0100(10)
  0.0170(10)
  0.0060(10)
  O4 0.088(2) 0.0400(10)
  0.063(2)  0.0000(10)
  -0.001(2) 0.0110(10)
  O5 0.097(2) 0.0440(10)
  0.0550(10)
  -0.0130(10)
  0.0120(10)
  0.0150(10)
  N1 0.0300(10)
  0.0300(10)
  0.0240(10)
  -0.0040(10)
  0.0102(9) 0.0066(9)
  C1 0.0380(10)
  0.0290(10)
  0.0220(10)
  -0.0050(10)
  0.0110(10)
  0.0050(10)
  C2 0.0320(10)
  0.0310(10)
  0.0230(10)
  -0.0080(10)
  0.0100(10)
  0.0040(10)
  C3 0.042(2) 0.048(2) 0.0340(10)
  -0.0080(10)
  0.0190(10)
  0.0120(10)
  C4 0.037(2) 0.053(2) 0.042(2) -0.0070(10)
  0.0230(10)
  0.0060(10)
  C5 0.029(2) 0.049(2) 0.059(2) 0.0010(10)
  0.0180(10)
  0.008(2)
  C6 0.035(2) 0.053(2) 0.079(3) 0.011(2) 0.016(2) 0.027(2)
  C7 0.045(2) 0.063(2) 0.070(2) 0.013(2) 0.020(2) 0.040(2)
  C8 0.035(2) 0.041(2) 0.052(2) 0.0050(10)
  0.0180(10)
  0.026(2)
  C9 0.0250(10)
  0.0300(10)
  0.0350(10)
  -0.0020(10)
  0.0100(10)
  0.0070(10)
  C10 0.0290(10)
  0.0350(10)
  0.041(2) -0.0050(10)
  0.0150(10)
  0.0030(10)
  C11 0.097(4) 0.120(5) 0.095(4) -0.022(3) -0.013(3) 0.056(3)
  C12 0.077(3) 0.071(3) 0.109(4) -0.015(2) 0.017(3) 0.026(3)
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
  Co1 O2 . . 2.037(2) yes
  Co1 O3 . . 2.122(2) yes
  Co1 N1 . . 2.226(2) yes
  O1 C1 . . 1.246(3) yes
  O2 C1 . . 1.264(3) yes
  O4 C12 . . 1.411(5) yes
  N1 C2 . . 1.326(3) yes
  N1 C9 . . 1.372(4) yes
  C1 C2 . . 1.509(4) yes
  C2 C3 . . 1.409(4) yes
  C3 C4 . . 1.352(4) yes
  C4 C10 . . 1.404(4) yes
  C5 C6 . . 1.361(5) yes
  C5 C10 . . 1.412(4) yes
  C6 C7 . . 1.401(5) yes
  C7 C8 . . 1.370(4) yes
  C8 C9 . . 1.405(4) yes
  C9 C10 . . 1.421(4) yes
  C11 C12 . . 1.430(6) yes
  O3 H(9) . . 0.80(4) no
  O3 H(10) . . 1.09(4) no
  O4 H(16) . . 0.91(5) no
  C3 H(3) . . 0.949 no
  C4 H(4) . . 0.951 no
  C5 H(5) . . 0.949 no
  C6 H(6) . . 0.952 no
  C7 H(7) . . 0.947 no
  C8 H(8) . . 0.949 no
  C11 H(11) . . 0.958 no
  C11 H(12) . . 0.947 no
  C11 H(13) . . 0.927 no
  C12 H(14) . . 0.945 no
  C12 H(15) . . 0.955 no