Crystallography Open Database

Information card for entry 5000294

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H108 Cl2 Mn8 N8 O36
Calculated formula	C76.6522 H85.16 Cl2 Mn8 N8 O32.984
Title of publication	Single-Molecule Magnets: Novel Mn8 and Mn9 Carboxylate Clusters Containing an Unusual Pentadentate Ligand Derived from Pyridine-2,6-dimethanol
Authors of publication	Colette Boskovic; Wolfgang Wernsdorfer; Kirsten Folting; John C. Huffman; David N. Hendrickson; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5107 - 5118
a	16.6942 ± 0.0005 Å
b	13.8473 ± 0.0004 Å
c	20.0766 ± 0.0006 Å
α	90°
β	99.8797 ± 0.0012°
γ	90°
Cell volume	4572.3 ± 0.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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 significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.3678
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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