Crystallography Open Database

Information card for entry 4103656

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Coordinates	4103656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H48 N2 Yb
Calculated formula	C38 H48 N2 Yb
Title of publication	Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines
Authors of publication	Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17537 - 17549
a	14.127 ± 0.001 Å
b	15.283 ± 0.001 Å
c	15.312 ± 0.001 Å
α	90°
β	92.18 ± 0.002°
γ	90°
Cell volume	3303.5 ± 0.4 Å³
Cell temperature	154.2 K
Ambient diffraction temperature	154.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0432
Goodness-of-fit parameter for all reflections included in the refinement	1.229
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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