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#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/16/2101651.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101651
loop_
_publ_author_name
'Iversen, B. B.'
'Larsen, F. K.'
'Figgis, B. N.'
'Reynolds, P. A.'
'Schultz, A. J.'
_publ_section_title
;
 Atomic displacement parameters for Ni(ND~3~)~4~(NO~2~)~2~ from 9 K
 X-ray and 13 K time-of-flight neutron diffraction data
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              923
_journal_page_last               931
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'D12 N6 Ni O4'
_[local]_cod_chemical_formula_sum_orig 'D12 N6 Ni1 O4'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 114.860(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   10.6090(10)
_cell_length_b                   6.7730(10)
_cell_length_c                   5.8790(10)
_cell_volume                     383.3
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.5603
_exptl_absorpt_coefficient_mu    13.11
_exptl_crystal_density_diffrn    1.978
_[local]_cod_data_source_file    sh0080.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni .0 .0 .0
O1 .30820(6) .0 .19184(11)
O2 .21357(5) .0 -.20938(10)
N1 .20063(6) .0 -.00625(8)
N2 .06547(3) .22449(5) .27298(6)
D1 .10820(10) .1725(2) .4513(2)
D2 .13790(10) .3126(2) .2538(2)
D3 -.01460(10) .3136(2) .2569(2)
_cod_database_code 2101651