Crystallography Open Database

Information card for entry 5000292

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

Structure parameters

Formula	C89.3 H111.6 Mn9 N7.2 O38
Calculated formula	C89.0877 H99.55 Mn9 N7.2 O38.1314
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	12.1312 ± 0.0004 Å
b	18.8481 ± 0.0006 Å
c	23.26 ± 0.0007 Å
α	78.6887 ± 0.0008°
β	77.9596 ± 0.0008°
γ	82.3176 ± 0.0008°
Cell volume	5076.4 ± 0.5 Å³
Cell temperature	116 ± 2 K
Ambient diffraction temperature	116 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for all reflections included in the refinement	0.0403
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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