Crystallography Open Database

Information card for entry 7045386

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Structure parameters

Formula	C50 H98 Mn4 N6 O28 Pr2
Calculated formula	C50 H98 Mn4 N6 O28 Pr2
Title of publication	Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.
Authors of publication	Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	10
Pages of publication	3485 - 3495
a	12.6597 ± 0.0012 Å
b	19.2686 ± 0.0014 Å
c	14.2783 ± 0.0014 Å
α	90°
β	92.582 ± 0.008°
γ	90°
Cell volume	3479.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 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	0.0836
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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