Crystallography Open Database

Information card for entry 7106418

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Coordinates	7106418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H45 Li N2 O Si2
Calculated formula	C20 H45 Li N2 O Si2
Title of publication	A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory
Authors of publication	Sophia A. Solomon; F. Matthias Bickelhaupt; Richard A. Layfield; Mathias Nilsson; Jordi Poater; Miquel Sola
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	6162
a	17.4496 ± 0.0006 Å
b	17.7496 ± 0.0011 Å
c	17.2174 ± 0.0007 Å
α	90°
β	101.374 ± 0.004°
γ	90°
Cell volume	5227.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.082
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1786
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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