#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010394.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2010394
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1995
_journal_volume 51
_journal_page_first  62
_journal_page_last  65
_publ_section_title
;
T {\bf Diazidobis(2,2'-bipyridine)nickel(II) Monohydrate}
;
loop_
_publ_author_name
  'Urtiaga, M.K.'
  'Arriortua, M.I.'
  'Muro, I.G.De.'
  'Cortes, R.'
_chemical_formula_moiety  'C20 H18 N10 Ni1 O1'
_chemical_formula_sum  'C20 H18 N10 Ni1 O1'
_chemical_formula_weight  473.14
_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  8.2140(10)
_cell_length_b  10.2640(10)
_cell_length_c  13.138(3)
_cell_angle_alpha  96.030(10)
_cell_angle_beta  87.130(10)
_cell_angle_gamma  110.180(10)
_cell_volume  1033.8(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  298
_exptl_crystal_density_diffrn  1.52
_exptl_crystal_density_meas  1.490(10)
_refine_ls_R_factor_obs  0.035
_refine_ls_wR_factor_obs  0.038
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Ni .29908(3) .21566(2) .71538(2)
  N1A .4350(2) .2850(2) .85430(10)
  N2A .1012(2) .1556(2) .82450(10)
  N3A .2674(2) .4102(2) .7145(2)
  N1B .3636(2) .0346(2) .70420(10)
  N2B .5178(2) .2693(2) .62220(10)
  N3B .1319(2) .1294(2) .59190(10)
  N4A .1398(2) .4323(2) .7400(2)
  N5A .0176(4) .4582(3) .7668(3)
  C1A .6073(3) .3454(2) .8643(2)
  C2A .6858(3) .3909(2) .9588(2)
  C3A .5829(3) .3738(2) 1.0460(2)
  C4A .4054(3) .3107(2) 1.0375(2)
  C5A .3346(2) .2679(2) .94040(10)
  C6A .1461(2) .2011(2) .92260(10)
  C7A .0222(3) .1848(2) 1.0009(2)
  C8A -.1513(3) .1189(3) .9765(2)
  C9A -.1962(3) .0701(3) .8763(2)
  C10A -.0662(3) .0916(2) .8022(2)
  N4B .1490(2) .1834(2) .51540(10)
  N5B .1648(3) .2340(2) .4391(2)
  C1B .2743(3) -.0836(2) .7453(2)
  C2B .3300(4) -.1963(2) .7396(2)
  C3B .4831(4) -.1881(2) .6883(2)
  C4B .5736(3) -.0681(2) .6421(2)
  C5B .5102(2) .0417(2) .65150(10)
  C6B .5972(2) .1736(2) .60370(10)
  C7B .7463(3) .1974(2) .5435(2)
  C8B .8132(3) .3228(3) .4996(2)
  C9B .7319(3) .4196(2) .5173(2)
  C10B .5852(3) .3902(2) .5793(2)
  OW -.1379(3) .6785(2) .76030(10)
  H1A .678(4)  .354(3)  .801(2)
  H2A .813(4)  .435(3)  .960(2)
  H3A .628(4)  .404(3)  1.111(2)
  H4A .334(4)  .296(3)  1.092(2)
  H7A .062(4)  .212(3)  1.067(2)
  H8A -.246(4)  .099(3)  1.027(2)
  H9A -.320(4)  .026(3)  .857(2)
  H10A -.088(4)  .061(3)  .730(2)
  H1B .167(4)  -.091(3)  .774(2)
  H2B .263(4)  -.274(3)  .769(2)
  H3B .531(4)  -.258(3)  .683(2)
  H4B .679(4)  -.058(3)  .606(2)
  H7B .788(4)  .126(3)  .531(2)
  H8B .912(4)  .346(3)  .464(2)
  H9B .776(4)  .509(3)  .491(2)
  H10B .528(4)  .463(3)  .601(2)
  HW1 -.139(4)  .705(3)  .709(2)
  HW2 -.110(4)  .618(3)  .757(2)
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
  Ni N1A . . 2.114(2) yes
  Ni N3A . . 2.102(3) yes
  Ni N2B . . 2.067(2) yes
  Ni Ni . 2_566 10.94(3) yes
  Ni N2A . . 2.082(2) yes
  Ni N1B . . 2.090(2) yes
  Ni N3B . . 2.094(2) yes
  N3A N4A . . 1.173(3) yes
  N4A N5A . . 1.154(4) yes
  N3B N4B . . 1.177(3) yes
  N4B N5B . . 1.159(3) yes
  N1A C1A . . 1.342(3)  no
  N1A C5A . . 1.357(2)  no
  N2A C6A . . 1.348(2)  no
  N2A C10A . . 1.336(3)  no
  N1B C1B . . 1.336(3)  no
  N1B C5B . . 1.343(3)  no
  N2B C6B . . 1.351(3)  no
  N2B C10B . . 1.344(3)  no
  N5A HW2 . . 2.24(4)  no
  C1A C2A . . 1.388(3)  no
  C1A H1A . . 0.98(3)  no
  C2A C3A . . 1.378(3)  no
  C2A H2A . . 0.99(3)  no
  C3A C4A . . 1.381(4)  no
  C3A H3A . . 0.93(3)  no
  C4A C5A . . 1.392(3)  no
  C4A H4A . . 0.90(3)  no
  C5A C6A . . 1.481(3)  no
  C6A C7A . . 1.392(3)  no
  C7A C8A . . 1.388(3)  no
  C7A H7A . . 0.92(3)  no
  C8A C9A . . 1.380(3)  no
  C8A H8A . . 0.98(3)  no
  C9A C10A . . 1.383(3)  no
  C9A H9A . . 1.00(3)  no
  C10A H10A . . 0.97(3)  no
  C1B C2B . . 1.377(4)  no
  C1B H1B . . 0.93(3)  no
  C2B C3B . . 1.377(4)  no
  C2B H2B . . 0.91(3)  no
  C3B C4B . . 1.385(3)  no
  C3B H3B . . 0.93(3)  no
  C4B C5B . . 1.388(4)  no
  C4B H4B . . 0.94(3)  no
  C5B C6B . . 1.484(3)  no
  C6B C7B . . 1.386(3)  no
  C7B C8B . . 1.388(3)  no
  C7B H7B . . 0.90(3)  no
  C8B C9B . . 1.371(4)  no
  C8B H8B . . 0.88(3)  no
  C9B C10B . . 1.381(3)  no
  C9B H9B . . 0.96(3)  no
  C10B H10B . . 1.02(3)  no
  OW HW1 . . 0.76(3)  no
  OW HW2 . . 0.73(4)  no
  HW1 HW2 . . 1.25(5)  no