Crystallography Open Database

Information card for entry 4112083

4112082 << 4112083 >> 4112084

Preview

Coordinates	4112083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Cl4 Mn4 N6 O28
Calculated formula	C36 H36 Cl4 Mn4 N6 O28
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	27.751 ± 0.006 Å
b	14.957 ± 0.003 Å
c	15.518 ± 0.003 Å
α	90°
β	113.8 ± 0.03°
γ	90°
Cell volume	5893 ± 2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
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	0.2707
Residual factor for significantly intense reflections	0.1265
Weighted residual factors for significantly intense reflections	0.3246
Weighted residual factors for all reflections included in the refinement	0.4166
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4112083.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112083.cif
63703	2012-08-06	cif/ Adding structures of 4112083 via cif-deposit CGI script.	4112083.cif