Crystallography Open Database

Information card for entry 4121864

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Coordinates	4121864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H64 Gd2 K2 O4
Calculated formula	C48 H64 Gd2 K2 O4
Title of publication	Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.
Authors of publication	Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	22
Pages of publication	8003
a	12.5506 ± 0.0003 Å
b	12.9933 ± 0.0003 Å
c	16.7384 ± 0.0004 Å
α	107.063 ± 0.0013°
β	98.5557 ± 0.0014°
γ	112.121 ± 0.0013°
Cell volume	2311.45 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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