Crystallography Open Database

Information card for entry 4304046

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Coordinates	4304046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C207 H170 Cl6 Mn12 N6 O52
Calculated formula	C207 H166 Cl6 Mn12 N6 O52
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	16.2016 ± 0.0001 Å
b	34.6578 ± 0.0003 Å
c	17.6014 ± 0.0002 Å
α	90°
β	98.11°
γ	90°
Cell volume	9784.55 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.1285
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1979
Weighted residual factors for all reflections included in the refinement	0.2401
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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