Crystallography Open Database

Information card for entry 7055592

Preview

Coordinates	7055592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F70 Ti10 Xe5
Calculated formula	F69.994 Ti10 Xe5
Title of publication	Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts
Authors of publication	Mazej, Zoran; Goreshnik, Evgeny A.
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	9
Pages of publication	7320
a	18.898 ± 0.0004 Å
b	16.7388 ± 0.0004 Å
c	17.3542 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5489.7 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
186452 (current)	2016-09-10	cif/ Updating files of 7055592, 7055593, 7055594 Original log message: Adding full bibliography for 7055592--7055594.cif.	7055592.cif
183241	2016-06-02	cif/ Adding structures of 7055592 via cif-deposit CGI script.	7055592.cif