#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/34/2103412.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_2103412
loop_
_publ_author_name
'Herbstein, Frank H.'
'Hu, Shengzhi'
'Kapon, Moshe'
_publ_section_title
;
 Some errors from the crystallographic literature, some amplifications
 and a questionable result
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              884
_journal_page_last               892
_journal_paper_doi               10.1107/S0108768102010261
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         '(C14 H24 Mo2 N2 O8)n'
_chemical_formula_sum            'C14 H24 Mo2 N2 O8'
_chemical_formula_weight         540.23
_chemical_name_systematic
;catena-((2-(1,4-diazobicyclo[2.2.2]-octane-1,4-diyl)-tetrakis(2-acetato-O,O')-
dimolybdenum
 (II))
;
_space_group_IT_number           12
_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                90.00
_cell_angle_beta                 103.05
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.091
_cell_length_b                   15.818
_cell_length_c                   7.864
_cell_volume                     980.468
_diffrn_ambient_temperature      298
_cod_data_source_file            bm0053.cif
_cod_data_source_block           number_2
_cod_original_cell_volume        980.47
_cod_original_sg_symbol_H-M      C2/m
_cod_original_formula_sum        '(C14 H24 Mo2 N2 O8)n '
_cod_database_code               2103412
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z'
'-x, y,  -z'
'-x, -y, -z'
'x + 1/2, y + 1/2, z'
'x +1/2, -y + 1/2, z'
'-x + 1/2, y + 1/2,  -z'
'-x + 1/2, -y + 1/2, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mo -0.109 0.0 -0.1016
O1 -0.0082 0.0982 -0.2343
O2 -0.223 0.0975 0.0193
C1 -0.134 0.128 0.16
C2 -0.2 0.204 0.24
N -0.3713 0.0 -0.3701
