Crystallography Open Database

Information card for entry 4320151

4320150 << 4320151 >> 4320152

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Coordinates	4320151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H56 Cl4 Mn4 N6 O10
Calculated formula	C42 H48 Cl4 Mn4 N6 O10
SMILES	C1c2[n](c(ccc2)C)[Mn]234([O]1[Mn]156([O]4Cc4cccc(C)[n]14)[n]1c(C[O]6[Mn]4([n]6c(C[O]54)cccc6C)(Cl)Cl)cccc1C)[n]1c(C[O]3[Mn]3([n]4c(C[O]23)cccc4C)(Cl)Cl)cccc1C.O.O.O.O
Title of publication	Mixed-Valence Tetranuclear Manganese Single-Molecule Magnets
Authors of publication	Jae Yoo; Akira Yamaguchi; Motohiro Nakano; J. Krzystek; William E. Streib; Louis-Claude Brunel; Hidehiko Ishimoto; George Christou; David N. Hendrickson
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	4604 - 4616
a	17.0852 ± 0.0004 Å
b	20.8781 ± 0.0005 Å
c	14.1835 ± 0.0003 Å
α	90°
β	90.5495 ± 0.0008°
γ	90°
Cell volume	5059.1 ± 0.2 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for all reflections included in the refinement	0.0434
Goodness-of-fit parameter for all reflections included in the refinement	0.9799
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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