Crystallography Open Database

Information card for entry 7218074

Preview

Coordinates	7218074.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tetrabutylphosphonium hexafluorophosphate
Formula	C16 H36 F6 P2
Calculated formula	C16 H36 F6.0008 P2
Title of publication	The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).
Authors of publication	Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2014
Journal volume	16
Journal issue	43
Pages of publication	23616 - 23626
a	9.9807 ± 0.0009 Å
b	13.8901 ± 0.0015 Å
c	16.2367 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2250.9 ± 0.4 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P m c n
Hall space group symbol	-P 2n 2a
Residual factor for all reflections	0.1426
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.3034
Weighted residual factors for all reflections included in the refinement	0.3493
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
180511 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/80.	7218074.cif
126560	2014-11-06	cif/ Updating files of 7218072, 7218073, 7218074, 7218075 Original log message: Adding full bibliography for 7218072--7218075.cif.	7218074.cif
123665	2014-09-10	cif/ Adding structures of 7218072, 7218073, 7218074, 7218075 via cif-deposit CGI script.	7218074.cif