Crystallography Open Database

Information card for entry 4335513

Preview

Coordinates	4335513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 F8 N4 Ti
Calculated formula	C6 H12 F8 N4 Ti
Title of publication	Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions
Authors of publication	Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8315 - 8326
a	14.437 ± 0.008 Å
b	7.436 ± 0.004 Å
c	13.261 ± 0.008 Å
α	90°
β	115.77 ± 0.02°
γ	90°
Cell volume	1282 ± 1.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
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	0.1031
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2076
Weighted residual factors for all reflections included in the refinement	0.2181
Goodness-of-fit parameter for all reflections included in the refinement	1.254
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
179458 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/55.	4335513.cif
101446	2014-02-14	cif/ Adding structures of 4335513 via cif-deposit CGI script.	4335513.cif