data_2013194
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2003
_journal_volume  59
_journal_page_first  i1
_journal_page_last  i3
_publ_section_title
;
Hexaaquanickel(II) bis(hypophosphite)
;
loop_
_publ_author_name
  'Kuratieva, Natalia V.'
  'Naumova, Marina I.'
  'Naumov, Dmitry Yu.'
  'Podberezskaya, Nina V.'
_chemical_name_common  'hexaaquanickel(II) bys(hypophosphite)'
_chemical_formula_moiety  'H12 Ni O6 2+, 2H2 O2 P 1-'
_chemical_formula_sum  'H16 Ni O10 P2'
_chemical_formula_structural  'Ni (H2 O)6 (H2 P O2)2'
_chemical_formula_iupac  '[Ni (H2 O)6] (H2 P O2)2'
_chemical_formula_weight  296.78
_symmetry_cell_setting  'Monoclinic'
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  10.1453(3)
_cell_length_b  10.1467(4)
_cell_length_c  10.3571(3)
_cell_angle_alpha  90.00
_cell_angle_beta  92.632(3)
_cell_angle_gamma  90.00
_cell_volume  1065.05(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.851
_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
  Ni1 0.0000 0.26480(4) 0.2500 0.02570(16) Uani d S 1 . . Ni
  P1 0.23511(5) 0.01455(5) 0.00603(5) 0.02685(17) Uani d . 1 . . P
  H1 0.292(3) -0.051(3) -0.080(3) 0.036(7) Uiso d . 1 . . H
  H2 0.160(2) 0.089(3) -0.061(2) 0.034(7) Uiso d . 1 . . H
  O1 0.33259(14) 0.10033(15) 0.08183(13) 0.0308(3) Uani d . 1 . . O
  O2 0.15387(14) -0.07785(14) 0.08486(14) 0.0310(3) Uani d . 1 . . O
  O1W 0.0000 0.4657(2) 0.2500 0.0464(7) Uani d S 1 . . O
  H1W 0.047(3) 0.504(3) 0.293(3) 0.040(8) Uiso d . 1 . . H
  O2W 0.0000 0.0624(2) 0.2500 0.0453(6) Uani d S 1 . . O
  H2W 0.044(3) 0.022(3) 0.210(3) 0.058(10) Uiso d . 1 . . H
  O3W 0.02103(19) 0.27242(19) 0.44672(16) 0.0395(4) Uani d . 1 . . O
  H3W -0.034(4) 0.304(4) 0.489(4) 0.058(10) Uiso d . 1 . . H
  H4W 0.048(3) 0.213(3) 0.481(3) 0.039(8) Uiso d . 1 . . H
  O4W 0.20136(18) 0.2663(2) 0.2438(2) 0.0453(5) Uani d . 1 . . O
  H5W 0.243(4) 0.217(4) 0.208(4) 0.057(10) Uiso d . 1 . . H
  H6W 0.245(3) 0.306(3) 0.294(3) 0.042(8) 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
  Ni1 0.0267(2) 0.0271(2) 0.0236(2) 0.000 0.00420(13) 0.000
  P1 0.0280(3) 0.0289(3) 0.0237(3) -0.00492(18) 0.00267(19) 0.00028(17)
  O1 0.0301(7) 0.0309(7) 0.0315(7) -0.0065(6) 0.0022(6) -0.0014(6)
  O2 0.0303(7) 0.0317(7) 0.0314(7) -0.0070(6) 0.0052(6) 0.0018(6)
  O1W 0.0612(17) 0.0273(11) 0.0482(14) 0.000 -0.0255(13) 0.000
  O2W 0.0598(16) 0.0275(11) 0.0515(15) 0.000 0.0341(13) 0.000
  O3W 0.0466(10) 0.0470(10) 0.0252(7) 0.0250(8) 0.0070(7) 0.0037(7)
  O4W 0.0268(8) 0.0609(12) 0.0488(11) -0.0034(8) 0.0061(7) -0.0283(9)
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 O1W . 2.038(3) Yes
  Ni1 O2W . 2.054(2) Yes
  Ni1 O3W . 2.0403(17) Yes
  Ni1 O4W . 2.0469(18) Yes
  P1 O1 . 1.5102(14) Yes
  P1 O2 . 1.5122(14) Yes
  P1 H1 . 1.27(3) Yes
  P1 H2 . 1.26(2) Yes
  O1W H1W . 0.74(3) No
  O2W H2W . 0.74(3) No
  O3W H3W . 0.79(4) No
  O3W H4W . 0.75(3) No
  O4W H5W . 0.76(4) No
  O4W H6W . 0.77(3) No