Crystallography Open Database

Information card for entry 4304979

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Coordinates	4304979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 Ce Mn8 N O38
Calculated formula	C54 H74 Ce Mn8 N4 O37
Title of publication	Single-Molecule Magnets: A Family of MnIII/CeIV Complexes with a [Mn8CeO8]12+ Core
Authors of publication	Abhudaya Mishra; Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Eleni E. Moushi; Brian Moulton; Michael J. Zaworotko; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4832 - 4843
a	12.7367 ± 0.0006 Å
b	12.7367 ± 0.0006 Å
c	23.485 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3809.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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