Crystallography Open Database

Information card for entry 7013776

Preview

Coordinates	7013776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H26 Cl Mn N4 O9 S
Calculated formula	C10 H26 Cl Mn N4 O9 S
Title of publication	Rationalisation of weak ferromagnetism in manganese(III) chains: the relation between structure and ordering phenomena.
Authors of publication	Mossin, Susanne; Weihe, Høgni; Sørensen, Henning Osholm; Lima, Nicola; Sessoli, Roberta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	4
Pages of publication	632 - 639
a	10.887 ± 0.0009 Å
b	12.584 ± 0.002 Å
c	13.184 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1806.2 ± 0.4 Å³
Cell temperature	122 ± 1 K
Ambient diffraction temperature	122 ± 1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179841 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/37.	7013776.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013776.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013776.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013776.cif