Crystallography Open Database

Information card for entry 4335514

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Coordinates	4335514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15 F11 N6 Ti2
Calculated formula	C9 H15 F11 N6 Ti2
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	13.5371 ± 0.0002 Å
b	25.7451 ± 0.0004 Å
c	10.4139 ± 0.0002 Å
α	90°
β	100.98 ± 0.001°
γ	90°
Cell volume	3562.95 ± 0.1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71069 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.	4335514.cif
101447	2014-02-14	cif/ Adding structures of 4335514 via cif-deposit CGI script.	4335514.cif