Crystallography Open Database

Information card for entry 7052211

Preview

Coordinates	7052211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H79 Mn5 N15 Na2 O26 S4
Calculated formula	C61 H79 Mn5 N15 Na2 O26 S4
Title of publication	Synthesis, crystal structure and magnetic properties of a new mixed-valence [Mn4IIIMnII] pentanuclear complex
Authors of publication	Beghidja, Chahrazed; Rogez, Guillaume; Welter, Richard
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	8
Pages of publication	1403
a	26.349 ± 0.005 Å
b	12.877 ± 0.003 Å
c	25.364 ± 0.005 Å
α	90°
β	111.33 ± 0.05°
γ	90°
Cell volume	8016 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.153
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180076 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/22.	7052211.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052211.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052211.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7052211.cif