Crystallography Open Database

Information card for entry 4304045

Preview

Coordinates	4304045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H30 Cl22 Mn4 N2 O18
Calculated formula	C44 H24 Cl21.5 Mn4 N2 O18
Title of publication	Mixed-Valence Tetra- and Hexanuclear Manganese Complexes from the Flexibility of Pyridine-Containing β-Diketone Ligands
Authors of publication	Chen-I Yang; Wolfgang Wernsdorfer; Yu-Jhe Tsai; George Chung; Ting-Shen Kuo; Gene-Hsiang Lee; Minghuey Shieh; Hui-Lien Tsai
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1925 - 1939
a	14.248 ± 0.0002 Å
b	23.474 ± 0.0003 Å
c	21.119 ± 0.0004 Å
α	90°
β	90.821 ± 0.001°
γ	90 ± 0.001°
Cell volume	7062.68 ± 0.19 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1492
Residual factor for significantly intense reflections	0.0965
Weighted residual factors for significantly intense reflections	0.2472
Weighted residual factors for all reflections included in the refinement	0.2878
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4304045.html