Crystallography Open Database

Information card for entry 7006537

Preview

Coordinates	7006537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H82 Mn4 N4 O20
Calculated formula	C44 H90 Mn4 N4 O20
Title of publication	New mixed-valence MnII2MnIII2 clusters exhibiting an unprecedented MnII/III oxidation state distribution in their magnetically coupled cores.
Authors of publication	Wittick, Lisa M.; Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Spiccia, Leone; Berry, Kevin J.; Murray, Keith S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	12
Pages of publication	1534 - 1543
a	10.577 ± 0.002 Å
b	11.019 ± 0.002 Å
c	13.59 ± 0.003 Å
α	82.44 ± 0.03°
β	84.43 ± 0.03°
γ	63.95 ± 0.03°
Cell volume	1409.2 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179769 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/65.	7006537.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006537.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006537.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006537.cif