data_2007217
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  565
_journal_page_last  567
_publ_section_title
;
Diaquacobalt Tetracyanonickelate Tetrahydrate
;
loop_
_publ_author_name
  'Niu, Tianyan'
  'Crisci, Gerardo'
  'Lu, Jian'
  'Jacobson, Allan J.'
_chemical_formula_moiety  'Co(H~2~O)~2~Ni(CN)~4~ , 4H~2~O'
_chemical_formula_sum  'C4 H12 Co N4 Ni O6'
_chemical_formula_weight  329.82
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  'x+1/2, -y+1/2, -z+1/2'
  '-x, y+1/2, -z'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  '-x-1/2, y-1/2, z-1/2'
  'x, -y-1/2, z'
_cell_length_a  12.178(3)
_cell_length_b  13.885(3)
_cell_length_c  7.143(3)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1207.8(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.814
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  .0362
_refine_ls_wR_factor_obs  .1028
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
  Ni1  .56652(5)  .7500  -.00766(6)  .02504(18) Uani d S 1 . Ni
  Co2  .5000  .5000  -.5000  .02395(19) Uani d S 1 . Co
  C1  .5711(3)  .6551(2)  -.1921(4)  .0275(6) Uani d . 1 . C
  N1  .5651(2)  .5968(2)  -.3031(3)  .0333(6) Uani d . 1 . N
  C2  .5443(3)  .6566(2)  .1734(4)  .0292(6) Uani d . 1 . C
  N2  .4734(2)  .3998(2)  -.2854(3)  .0354(6) Uani d . 1 . N
  O1  .34317(18)  .56012(17)  -.4402(3)  .0359(5) Uani d . 1 . O
  O2  .1785(2)  .4353(2)  -.5423(4)  .0496(7) Uani d . 1 . O
  O3  .7920(4)  .7500  .0598(6)  .0564(10) Uani d S 1 . O
  O4  .2526(4)  .2500  -.4514(6)  .0555(10) Uani d S 1 . O
  H1A  .2892  .5161  -.4933  .050 Uiso d . 1 . H
  H3A  .7827  .7500  .1942  .050 Uiso d S 1 . H
  H2A  .1964  .3781  -.5096  .050 Uiso d . 1 . H
  H1B  .3377  .5531  -.3149  .050 Uiso d . 1 . H
  H2B  .1632  .4486  -.6697  .050 Uiso d . 1 . H
  H4A  .2038  .3000  -.5174  .050 Uiso d . 1 . H
  H3B  .8342  .7500  -.0340  .050 Uiso d S 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
  Ni1  .0398(3)  .0209(3)  .0144(3)  .000  .0015(2)  .000
  Co2  .0355(3)  .0215(3)  .0149(3)  -.00205(19)  .0011(2)  -.00033(19)
  C1  .0358(15)  .0263(15)  .0205(12)  -.0015(13)  .0010(11)  .0019(12)
  N1  .0431(15)  .0338(14)  .0230(11)  -.0036(12)  -.0004(11)  -.0065(11)
  C2  .0366(16)  .0296(16)  .0215(13)  .0007(13)  -.0005(12)  -.0033(12)
  N2  .0501(15)  .0322(14)  .0239(12)  -.0031(13)  .0011(12)  .0052(11)
  O1  .0383(12)  .0376(12)  .0318(11)  .0002(10)  .0024(9)  -.0020(10)
  O2  .0473(14)  .0553(17)  .0461(15)  -.0028(13)  -.0058(11)  .0098(13)
  O3  .065(3)  .056(3)  .048(2)  .000  .006(2)  .000
  O4  .061(2)  .052(2)  .054(2)  .000  -.002(2)  .000
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
  Ni1 C2 . 1.851(3) yes
  Ni1 C1 . 1.864(3) yes
  Co2 N2 . 2.095(3) yes
  Co2 N1 . 2.101(3) yes
  Co2 O1 . 2.128(2) yes
  C1 N1 . 1.136(4) yes
  N2 C2 5_665 1.140(4) yes
  Ni1 O3 . 2.788(4) yes