Crystallography Open Database

Information card for entry 7211881

Preview

Coordinates	7211881.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Potasium nonafluorobutylsulfonate acetonitril solvate
Formula	C6 H3 F9 K N O3 S
Calculated formula	C6 H3 F9 K N O3 S
SMILES	[K+].C(C(C(C(F)(F)F)(F)F)(F)F)(F)(F)S(=O)(=O)[O-].C(#N)C
Title of publication	Synthesis, crystal and molecular structure of alkali metal nonaflates
Authors of publication	Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	795
a	9.493 ± 0.002 Å
b	8.5886 ± 0.0015 Å
c	30.962 ± 0.005 Å
α	90°
β	95.036 ± 0.019°
γ	90°
Cell volume	2514.6 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180449 (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 7/21/18.	7211881.cif
171772	2015-12-31	cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries.	7211881.cif
92453	2014-01-12	cif/ Adding structures of 7211879, 7211880, 7211881, 7211882, 7211883, 7211884 via cif-deposit CGI script.	7211881.cif