#------------------------------------------------------------------------------
#$Date: 2025-08-19 00:52:38 +0200 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/03/2000324.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_2000324
loop_
_publ_author_name
'Cervantes-Lee, F.'
'Porter, L. C.'
_publ_section_title
;
 Structure of
 bis(hexafluoroacetylacetonato)bis(tetrahydrofuran)nickel(II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1076
_journal_page_last               1077
_journal_paper_doi               10.1107/S0108270190011581
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C18 H18 F12 Ni O6'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.524(2)
_cell_length_b                   8.524(2)
_cell_length_c                   17.452(4)
_cell_volume                     1268.0(5)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    .882
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_F_000             620
_cod_data_source_file            st0475.cif
_cod_data_source_block           st0475a
_cod_original_cell_volume        1267.9(5)
_cod_original_sg_symbol_H-M      P42/mnm
_cod_original_formula_sum        'Ni1 F12 C18 O6 H18'
_cod_database_code               2000324
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 .5 .082
O(1) .1693(10) .1693(10) .5 .121
O(2) -.1197(6) .1197(6) .4197(4) .098
C(1) .320(2) .147(3) .5 .250
C(2) .404(2) .287(3) .5 .241
C(3) -.0995(10) .0995(10) .3488(8) .094
C(4) 0 0 .3120(9) .088
C(5) -.2042(14) .2042(14) .3026(9) .123
F(1) -.1937(9) .1937(9) .2294(5) .187
F(2) -.3500(9) .1810(4) .3183(5) .247
H(1A) .3499 .0886 .4554 .08
H(2A) .4689 .2967 .4554 .08
H(4A) 0 0 .2570 .08
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139053286
