data_2000244
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1786
_journal_page_last  1789
loop_
_publ_author_name
 'Blackburn, A.C.'
 'Gallucci, J.C.'
 'Gerkin, R.E.'
_chemical_formula_moiety  'H12 Ni1 O6,2(Br1 O3)'
_chemical_formula_sum  'H12 Br2 Ni1 O12'
_chemical_formula_weight  422.6
_symmetry_cell_setting  cubic
_symmetry_space_group_name_H-M  'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_cell_length_a  10.2987(6)
_cell_length_b  10.2987(6)
_cell_length_c  10.2987(6)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1092.3(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  2.57
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  824
_exptl_absorpt_coefficient_mu  9.079
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Ni .0 .0 .0 1.41(2)
 Br .26016(3) .26016 .26016 1.52(2)
 O(1) .1679(2) .1567(2) .3414(2) 2.20(10)
 O(2) .0345(2) -.0303(2) .1948(2) 2.00(10)
 H(1) .047(4) .023(3) .231(4) ?
 H(2) -.040(4) -.050(4) .228(4) ?