Crystallography Open Database

Information card for entry 4340463

Preview

Coordinates	4340463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H94 Cu6 N16 O46 Tb2
Calculated formula	C82 H78 Cu6 N16 O44 Tb2
Title of publication	Molecular Magnetic Investigation of a Family of Octanuclear [Cu6Ln2] Nanoclusters.
Authors of publication	Xue, Shufang; Guo, Yun-Nan; Zhao, Lang; Zhang, Haixia; Tang, Jinkui
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	15
Pages of publication	8165
a	13.721 ± 0.0009 Å
b	17.2254 ± 0.0011 Å
c	23.0876 ± 0.0014 Å
α	107.091 ± 0.001°
β	101.421 ± 0.001°
γ	94.625 ± 0.001°
Cell volume	5056.1 ± 0.6 Å³
Cell temperature	191 ± 2 K
Ambient diffraction temperature	191 ± 2 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 all reflections	0.126
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.2007
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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