Crystallography Open Database

Information card for entry 4335519

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Coordinates	4335519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H5 F9 N2 Ti2
Calculated formula	C3 H5 F9 N2 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	5.3914 ± 0.0003 Å
b	15.4836 ± 0.001 Å
c	11.9543 ± 0.0008 Å
α	90°
β	90.977 ± 0.004°
γ	90°
Cell volume	997.78 ± 0.11 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4335519.cif
101452	2014-02-14	cif/ Adding structures of 4335519 via cif-deposit CGI script.	4335519.cif