#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/10/2001033.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_2001033
loop_
_publ_author_name
'Clarkson, L. M.'
'Clegg, W.'
'Hockless, D. C. R.'
'Norman, N. C.'
_publ_section_title
;
 Structure of a thallium(I) transition-metal carbonyl salt
 Tl[Fe(CO)₃(NO)]
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              236
_journal_page_last               239
_journal_paper_doi               10.1107/S0108270191010405
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C3 Fe1 N1 O4,Tl1'
_chemical_formula_sum            'C3 Fe N O4 Tl'
_chemical_formula_weight         374.25
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8530(10)
_cell_length_b                   8.8530(10)
_cell_length_c                   8.8530(10)
_cell_volume                     693.86(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    25.48
_exptl_crystal_density_diffrn    3.582
_exptl_crystal_F_000             656
_cod_data_source_file            al0488.cif
_cod_data_source_block           al0488a
_cod_original_cell_volume        693.8
_cod_original_formula_sum        'C3 Fe1 N1 O4 Tl1'
_cod_database_code               2001033
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Tl .06568(3) .06568(3) .06568(3) .06090(10)
Fe .55776(12) .55776(12) .55776(12) .0556(2)
N .6659(7) .6659(7) .6659(7) .0610(10)
O(1) .7450(6) .7450(6) .7450(6) .091(2)
C .5939(8) .3578(9) .5633(10) .066(2)
O(2) .6177(8) .2300(6) .5631(7) .081(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Fe N 1.659(11)
N O(1) 1.212(14)
Fe C 1.800(8)
C O(2) 1.150(9)
