Crystallography Open Database

Information card for entry 7238704

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Coordinates	7238704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 F6 Li N6 P
Calculated formula	C12 H18 F6 Li N6 P
Title of publication	Li+ cation coordination by acetonitrile—insights from crystallography
Authors of publication	Seo, Daniel M.; Boyle, Paul D.; Borodin, Oleg; Henderson, Wesley A.
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	21
Pages of publication	8014
a	14.83 ± 0.003 Å
b	9.225 ± 0.0016 Å
c	14.606 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1998.2 ± 0.6 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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