Crystallography Open Database

Information card for entry 7112211

Preview

Coordinates	7112211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O16 Se77 Sn42
Calculated formula	O16 Se77 Sn42
Title of publication	An infinite square lattice of super-supertetrahedral T6-like tin oxyselenide clusters
Authors of publication	Qipu Lin; Xianhui Bub; Pingyun Feng
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4044
a	35.2905 ± 0.0011 Å
b	24.1793 ± 0.0008 Å
c	35.0776 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	29931.7 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1145
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1612
Weighted residual factors for all reflections included in the refinement	0.2016
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
180236 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/22.	7112211.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112211.cif
108187	2014-03-28	cif/ Adding structures of 7112211, 7112212 via cif-deposit CGI script.	7112211.cif