Crystallography Open Database

Information card for entry 4313308

Preview

Coordinates	4313308.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cs2SnAs2Se9
Formula	As2 Cs2 Se9 Sn
Calculated formula	As2 Cs2 Se9 Sn
Title of publication	Flux Synthesis of the Noncentrosymmetric Cluster Compounds Cs2SnAs2Q9 (Q = S, Se) Containing Two Different Polychalcoarsenite β-[AsQ4]3- and [AsQ5]3- Ligands
Authors of publication	Ratnasabapathy G. Iyer; Junghwan Do; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1475 - 1482
a	7.175 ± 0.005 Å
b	17.555 ± 0.012 Å
c	7.663 ± 0.005 Å
α	90°
β	115.857 ± 0.011°
γ	90°
Cell volume	868.6 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2744
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.2332
Goodness-of-fit parameter for all reflections included in the refinement	0.802
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
179191 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/33.	4313308.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313308.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313308.cif
6377	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313308 via cif-deposit CGI script.	4313308.cif