CIF Information Card
Information card for 2015222
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C21 H42 Fe N10 O3
C21 H42 Fe N10 O3
Title of publication
5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II) dihydrate: a supramolecular compound constructed by hydrogen bonds
Authors of publication
Ai-Hua Yuan; Xiao-Ping Shen; Hu Zhou
Journal of publication
Acta Crystallographica Section C
Year of publication
Pages of publication
m161 - m162
8.9527 ± 0.0012 Å
10.7737 ± 0.0014 Å
16.977 ± 0.002 Å
74.525 ± 0.002°
78.926 ± 0.002°
70.318 ± 0.002°
1476.5 ± 0.3 Å
293 ± 2 K
Ambient diffraction temperature
293 ± 2 K
Number of distinct elements
Hermann-Mauguin symmetry space group
Hall symmetry space group
Residual factor for all reflections
Residual factor for observed reflections
Weighted residual factors for the observed reflections
Weighted residual factors for all reflections included in the refinement
Goodness-of-fit parameter for observed reflections
Diffraction radiation wavelength
Diffraction radiation type
Adding DOIs that could be assigned unambiguously to the range 2x CIFs.
Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.
cif/: committing an update of 45+ thous files, with information appended from the originals.
cif/2/, hkl/2/, html/
Reorganising CIFs of the range 2* into the "prefix-directory" tree.
Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names).
Adding assigned Fobs files for the 1980-2010 IUCr data.
Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields.
Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.
Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.
Changing the COD CIF files header (comments) in all files that were
recently deposited from the IUCr autodownloaded sources to the text agreed with IUCr.
Adding CIF files from today's Acta-Cryst-C-2006-04_12/ deposition.