Crystallography Open Database

Information card for entry 4104332

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Coordinates	4104332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 B N2 Yb
Calculated formula	C60 H66 B N2 Yb
Title of publication	Decamethylytterbocene Complexes of Bipyridines and Diazabutadienes: Multiconfigurational Ground States and Open-Shell Singlet Formation
Authors of publication	Corwin H. Booth; Marc D. Walter; Daniel Kazhdan; Yung-Jin Hu; Wayne W. Lukens; Eric D. Bauer; Laurent Maron; Odile Eisenstein; Richard A. Andersen
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	6480 - 6491
a	18.037 ± 0.002 Å
b	15.732 ± 0.001 Å
c	19.141 ± 0.002 Å
α	90°
β	115.677 ± 0.001°
γ	90°
Cell volume	4895.1 ± 0.8 Å³
Cell temperature	111.2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for all reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.0393
Goodness-of-fit parameter for all reflections included in the refinement	1.397
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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