Crystallography Open Database

Information card for entry 5000292

Preview

Coordinates	5000292.cif
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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