Crystallography Open Database

Information card for entry 4335418

Preview

Coordinates	4335418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84.5 H82 Mn9 N6 O29
Calculated formula	C84.5 H81 Mn9 N6 O29
Title of publication	A Defect Supertetrahedron Naphthoxime-Based [MnIII9] Single-Molecule Magnet
Authors of publication	Małgorzata Hołyńska; Nicolas Frank; Céline Pichon; Ie-Rang Jeon; Rodolphe Clérac; Stefanie Dehnen
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7317 - 7319
a	24.839 ± 0.003 Å
b	14.426 ± 0.002 Å
c	48.563 ± 0.005 Å
α	90°
β	100.32 ± 0.01°
γ	90°
Cell volume	17120 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1366
Residual factor for significantly intense reflections	0.0968
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.1915
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4335418.cif
101346	2014-02-11	cif/ Adding structures of 4335418 via cif-deposit CGI script.	4335418.cif