Crystallography Open Database

Information card for entry 7053683

Preview

Coordinates	7053683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As F10 H2 Tl
Calculated formula	As F10 H2 Tl
Title of publication	Fluoride ion donor properties of group 13 trifluorides (MF3, M = Al, Ga, In, Tl) and crystal structures of InF3·3SbF5, TlF3·3SbF5 and TlF3·AsF5·2HF
Authors of publication	Mazej, Zoran; Goreshnik, Evgeny
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	12
Pages of publication	2806
a	5.5533 ± 0.0004 Å
b	5.7652 ± 0.0005 Å
c	21.9287 ± 0.0019 Å
α	90°
β	93.279 ± 0.004°
γ	90°
Cell volume	700.92 ± 0.1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.216
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
180090 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/36.	7053683.cif
93753	2014-01-13	cif/ Adding structures of 7053681, 7053682, 7053683 via cif-deposit CGI script.	7053683.cif