Crystallography Open Database

Information card for entry 7045392

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Structure parameters

Formula	C68 H128 La2 Mn4 N8 O26
Calculated formula	C68 H128 La2 Mn4 N8 O26
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	13.5179 ± 0.0007 Å
b	13.8472 ± 0.0008 Å
c	24.3303 ± 0.0013 Å
α	95.199 ± 0.004°
β	97.115 ± 0.004°
γ	102.773 ± 0.004°
Cell volume	4374.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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