Crystallography Open Database

Information card for entry 7112212

Preview

Coordinates	7112212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15.14 N2 Se7 Sn3
Calculated formula	C9 H15.14 N2 Se7 Sn3
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	13.838 ± 0.0001 Å
b	23.1751 ± 0.0002 Å
c	9.8098 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3145.97 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7112212.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112212.cif
108187	2014-03-28	cif/ Adding structures of 7112211, 7112212 via cif-deposit CGI script.	7112212.cif