Crystallography Open Database

Information card for entry 7203313

7203312 << 7203313 >> 7203314

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Coordinates	7203313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H54 Cr2 Mn3 N27 O8
Calculated formula	C57 H71 Cr2 Mn3 N27 O8
Title of publication	Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)
Authors of publication	Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	26
Pages of publication	2660
a	40.092 ± 0.008 Å
b	10.399 ± 0.002 Å
c	17.253 ± 0.003 Å
α	90°
β	92.43 ± 0.03°
γ	90°
Cell volume	7187 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1842
Weighted residual factors for all reflections included in the refinement	0.196
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180364 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/33.	7203313.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203313.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203313.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	7203313.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7203313.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203313.cif