data_2012280
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1144
_journal_page_last  1146
_publ_section_title
;
X-ray powder structure of a new two-dimensional nickel(II) coordination polymer
with pyrazine-2,3,5,6-tetracarboxylic acid.
;
loop_
_publ_author_name
  'Alfonso, Montserrat'
  'Neels, Antonia'
  'Stoeckli-Evans, Helen'
_chemical_formula_moiety  'C8 H4 N2 Ni O8 , H8 Ni O4'
_chemical_formula_sum  'C8 H12 N2 Ni2 O14'
_chemical_formula_structural  '[Ni (C8 N2 O8) (H2 O)2 ] [Ni (H2 O)4]'
_chemical_formula_iupac  '[Ni (C8 N2 O8) (H2 O)2 ] [Ni (H2 O)4]'
_chemical_formula_weight  477.5
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 x,y,z
  2 -x,-y,-z
_cell_length_a  6.9892(3)
_cell_length_b  7.169(4)
_cell_length_c  8.2106(3)
_cell_angle_alpha  85.922(3)
_cell_angle_beta  84.242(4)
_cell_angle_gamma  61.818(3)
_cell_volume  360.650(10)
_cell_formula_units_Z  1
_cell_measurement_temperature  295(2)
_exptl_crystal_density_diffrn  2.188
_diffrn_ambient_temperature  295(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_thermal_displace_type
_atom_site_occupancy
  Ni1  .5  -.5  -.5  .0442(14) Uiso 1.0
  Ni2  .0  .0  .0  .0442(14) Uiso 1.0
  O1  .3411(7)  -.3757(10)  -.2861(4)  .0357(14) Uiso 1.0
  O2  -.0010(8)  -.1574(10)  -.1899(6)  .0357(14) Uiso 1.0
  O3  -.3159(13)  -.3524(11)  -.1033(7)  .0357(14) Uiso 1.0
  O4  -.4596(13)  -.0776(11)  -.2999(10)  .0357(14) Uiso 1.0
  O5  .3538(10)  -.2121(6)  -.6071(8)  .0357(14) Uiso 1.0
  O6  .2786(7)  -.2399(7)  .0676(9)  .0357(14) Uiso 1.0
  O7  .1629(11)  .1344(11)  -.1298(8)  .0357(14) Uiso 1.0
  N1  .2071(6)  -.5090(12)  -.5042(7)  .0357(14) Uiso 1.0
  C1  .0512(9)  -.4183(16)  -.3764(8)  .0357(14) Uiso 1.0
  C2  -.1532(9)  -.4034(16)  -.3744(8)  .0357(14) Uiso 1.0
  C3  .1347(9)  -.2982(15)  -.2850(14)  .0357(14) Uiso 1.0
  C4  -.3290(17)  -.2634(12)  -.2456(8)  .0357(14) Uiso 1.0
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 N1 . 2.0820(10)
  yes
  Ni1 N1 2_644 2.0820(10)
  ?
  Ni1 O1 . 2.002(2) yes
  Ni1 O1 2_644 2.002(2) ?
  Ni1 O5 . 2.002(2) yes
  Ni1 O5 2_644 2.002(2) ?
  Ni2 O2 . 1.991(2) yes
  Ni2 O2 2 1.991(2) ?
  Ni2 O6 . 1.994(2) yes
  Ni2 O6 2 1.994(2) ?
  Ni2 O7 . 2.002(2) yes
  Ni2 O7 2 2.002(2) ?
  O3 O6 1_455 2.800(10)
  yes
  O3 O6 2_545 2.800(10)
  ?
  O4 O5 2_554 2.560(10)
  yes
  O4 O7 1_455 2.640(10)
  yes
  O5 O6 1_554 2.810(10)
  yes