Crystallography Open Database

Information card for entry 7113048

Preview

Coordinates	7113048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H90 Mn6 N12 O26
Calculated formula	C70 H90 Mn6 N12 O26
Title of publication	A new family of oxime-based hexanuclear manganese(III) single molecule magnets with high anisotropy energy barriers.
Authors of publication	Tomsa, Adrian-Raul; Martínez-Lillo, José; Li, Yanling; Chamoreau, Lise-Marie; Boubekeur, Kamal; Farias, Fernanda; Novak, Miguel A.; Cremades, Eduard; Ruiz, Eliseo; Proust, Anna; Verdaguer, Michel; Gouzerh, Pierre
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	28
Pages of publication	5106 - 5108
a	13.388 ± 0.003 Å
b	13.497 ± 0.004 Å
c	24.781 ± 0.009 Å
α	104.97 ± 0.02°
β	94.08 ± 0.03°
γ	103.1 ± 0.02°
Cell volume	4173 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1755
Residual factor for significantly intense reflections	0.1522
Weighted residual factors for significantly intense reflections	0.3916
Weighted residual factors for all reflections included in the refinement	0.4029
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113048.cif
112221	2014-04-30	cif/ Adding structures of 7113047, 7113048 via cif-deposit CGI script.	7113048.cif