Crystallography Open Database

Information card for entry 2311868

Preview

Coordinates	2311868.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrakis(4-ethenylpyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate
Formula	C28 H28 F6 Li N4 P
Calculated formula	C28 H28 F6 Li N4 P
Title of publication	Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.
Authors of publication	Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 3
Pages of publication	264 - 269
a	24.725 ± 0.003 Å
b	14.7026 ± 0.0018 Å
c	15.8325 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	5755.5 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246146 (current)	2019-12-26	cif/ Adding structures of 2311867, 2311868, 2311869, 2311870 via cif-deposit CGI script.	2311868.cif