Crystallography Open Database

Information card for entry 4310099

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Coordinates	4310099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H164 Mn12 O48
Calculated formula	C86 H164 Mn12 O48
Title of publication	Single-Molecule Magnets: A Reductive Aggregation Route to New Types of Mn12 Complexes
Authors of publication	Philippa King; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8659 - 8669
a	17.5287 ± 0.0009 Å
b	19.1454 ± 0.001 Å
c	20.4668 ± 0.0011 Å
α	90°
β	112.709 ± 0.002°
γ	90°
Cell volume	6336.1 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.1468
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	0.887
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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