Crystallography Open Database

Information card for entry 4331841

Preview

Coordinates	4331841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Mn2 N6 O6
Calculated formula	C34 H28 Mn2 N6 O6
Title of publication	Syntheses, Crystal Structures, and Magnetic Characterization of Five New Dimeric Manganese(III) Tetradentate Schiff Base Complexes Exhibiting Single-Molecule-Magnet Behavior
Authors of publication	Lü, Zhengliang; Yuan, Mei; Pan, Feng; Gao, Song; Zhang, Deqing; Zhu, Daoben
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	9
Pages of publication	3538 - 3548
a	13.131 ± 0.003 Å
b	14.177 ± 0.003 Å
c	16.71 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3110.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.111
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
179421 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18.	4331841.cif
97931	2014-01-29	cif/ Adding structures of 4331839, 4331840, 4331841, 4331842, 4331843 via cif-deposit CGI script.	4331841.cif