Crystallography Open Database

Information card for entry 4110462

Preview

Coordinates	4110462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H29 Cl6 Mn N6 O6 S6
Calculated formula	C32 H29 Cl6 Mn N6 O6 S6
Title of publication	Very Strong Ferromagnetic Interaction in a New Binuclear μ-Methoxo-Bridged Mn(III) Complex: Synthesis, Crystal Structure, Magnetic Properties, and DFT Calculations
Authors of publication	Chahrazed Beghidja; Guillaume Rogez; Jens Kortus; Marcel Wesolek; Richard Welter
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	3140 - 3141
a	13.421 ± 0.002 Å
b	21.299 ± 0.003 Å
c	19.054 ± 0.003 Å
α	90°
β	127.91 ± 0.05°
γ	90°
Cell volume	4297 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1939
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178875 (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 4/11/04.	4110462.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110462.cif
59261	2012-06-05	cif/ Adding structures of 4110462 via cif-deposit CGI script.	4110462.cif