Crystallography Open Database

Information card for entry 5000340

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Coordinates	5000340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H78 Cl2 Mn4 N8 O26
Calculated formula	C57 H54 Cl2 Mn4 N8.298 O23.484
Title of publication	Single-Molecule Magnets: A New Class of Tetranuclear Manganese Magnets
Authors of publication	Jae Yoo; Euan K. Brechin; Akira Yamaguchi; Motohiro Nakano; John C. Huffman; A. L. Maniero; Louis-Claude Brunel; Kunio Awaga; Hidehiko Ishimoto; George Christou; David N. Hendrickson
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3615 - 3623
a	11.914 ± 0.004 Å
b	15.342 ± 0.005 Å
c	9.66 ± 0.003 Å
α	104.577 ± 0.017°
β	93.422 ± 0.017°
γ	106.063 ± 0.015°
Cell volume	1626.1 ± 0.9 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 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 significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	2.2652
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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