Crystallography Open Database

Information card for entry 4509858

Preview

Coordinates	4509858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 F5 N2 O Ta
Calculated formula	C10 H10 F4.99333 N2 O1.00667 Ta
Title of publication	Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒
Authors of publication	Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	844
a	7.1842 ± 0.0003 Å
b	13.2358 ± 0.0005 Å
c	20.0804 ± 0.0008 Å
α	74.8179 ± 0.0019°
β	89.3805 ± 0.0017°
γ	85.8098 ± 0.0016°
Cell volume	1837.78 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation probe	x-ray
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
179634 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/98.	4509858.cif
104090	2014-03-10	cif/ Adding structures of 4509858 via cif-deposit CGI script.	4509858.cif