Crystallography Open Database

Information card for entry 4329815

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Coordinates	4329815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 N8 Ni4 O13
Calculated formula	C48 H56 N8 Ni4 O13
Title of publication	Reversible Solvatomagnetic Effect in Novel Tetranuclear Cubane-Type Ni4 Complexes and Magnetostructural Correlations for the [Ni4(μ3-O)4] Core
Authors of publication	Animesh Das; Felix J. Klinke; Serhiy Demeshko; Steffen Meyer; Sebastian Dechert; Franc Meyer
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8141 - 8149
a	16.812 ± 0.0007 Å
b	16.812 ± 0.0007 Å
c	17.5449 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4958.9 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1179
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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