Crystallography Open Database

Information card for entry 4112086

4112085 << 4112086 >> 4112087

Preview

Coordinates	4112086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cl Mn2 N6 O7
Calculated formula	C18 H18 Cl Mn2 N6 O7
Title of publication	Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets
Authors of publication	Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	17353 - 17363
a	10.53 ± 0.002 Å
b	16.06 ± 0.003 Å
c	13.26 ± 0.003 Å
α	90°
β	102.79 ± 0.03°
γ	90°
Cell volume	2186.8 ± 0.8 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1346
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178891 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/20.	4112086.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112086.cif
63706	2012-08-06	cif/ Adding structures of 4112086 via cif-deposit CGI script.	4112086.cif