Crystallography Open Database

Information card for entry 7025039

Preview

Coordinates	7025039.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tri(tretbutyl)decylphosphonium tetrafluoroborate
Chemical name	tri(tretbutyl)decylphosphonium tetrafluoroborate
Formula	C22 H48 B F4 P
Calculated formula	C22 H48 B F4 P
Title of publication	Phosphonium ionic liquids based on bulky phosphines: synthesis, structure and properties.
Authors of publication	Ermolaev, Vadim; Miluykov, Vasiliy; Rizvanov, Ildar; Krivolapov, Dmitriy; Zvereva, Elena; Katsyuba, Sergey; Sinyashin, Oleg; Schmutzler, Reinhard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	23
Pages of publication	5564 - 5571
a	17.819 ± 0.003 Å
b	22.858 ± 0.003 Å
c	12.7497 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	5193 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.2376
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.2099
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation probe	x-ray
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
179955 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/50.	7025039.cif
92814	2014-01-12	cif/ Adding structures of 7025038, 7025039 via cif-deposit CGI script.	7025039.cif