Crystallography Open Database

Information card for entry 7117316

Preview

Coordinates	7117316.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CuTbValchxnN3_1-SS
Formula	C46 H56 Cu2 N22 O10 Tb2
Calculated formula	C46 H48 Cu2 N22 O10 Tb2
Title of publication	Determination of magnetic anisotropy in a multinuclear Tb^III^-based single-molecule magnet
Authors of publication	Xing-Cai Huang; Veacheslav Vieru; Liviu F. Chibotaru; Wolfgang Wernsdorfer; Shang-Da Jiang; Xin-Yi Wang
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	10373
a	9.6455 ± 0.0002 Å
b	11.9723 ± 0.0003 Å
c	12.5139 ± 0.0003 Å
α	78.864 ± 0.001°
β	85.397 ± 0.001°
γ	79.256 ± 0.001°
Cell volume	1391.56 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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