Crystallography Open Database

Information card for entry 4306395

Preview

Coordinates	4306395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H46.5 Cl Mn3 N9.5 O11
Calculated formula	C55 H46.53 Cl Mn3 N9.5 O11
Title of publication	A [MnIII3O]7+ Single-Molecule Magnet: the Anisotropy Barrier Enhanced by Structural Distortion
Authors of publication	Chen-I Yang; Wolfgang Wernsdorfer; Kai-Hung Cheng; Motohiro Nakano; Gene-Hsiang Lee; Hui-Lien Tsai
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10184 - 10186
a	12.8734 ± 0.0006 Å
b	12.8734 ± 0.0006 Å
c	18.3364 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	2631.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.1684
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.285
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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