Crystallography Open Database

Information card for entry 4509859

Preview

Coordinates	4509859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H10 F7 N2 Ta
Calculated formula	C2 H10 F7 N2 Ta
SMILES	C([NH3+])C[NH3+].[F-][Ta](F)(F)(F)(F)(F)[F-]
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	9.9102 ± 0.0003 Å
b	7.5768 ± 0.0003 Å
c	11.594 ± 0.0004 Å
α	90°
β	106.918 ± 0.0018°
γ	90°
Cell volume	832.89 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0167
Residual factor for significantly intense reflections	0.0152
Weighted residual factors for significantly intense reflections	0.0346
Weighted residual factors for all reflections included in the refinement	0.0351
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	4509859.cif
104091	2014-03-10	cif/ Adding structures of 4509859 via cif-deposit CGI script.	4509859.cif