Crystallography Open Database

Information card for entry 4313307

Preview

Coordinates	4313307.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CsSnAs2S9
Formula	As2 Cs2 S9 Sn
Calculated formula	As2 Cs2 S9 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	7.386 ± 0.003 Å
b	14.614 ± 0.005 Å
c	14.417 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1556.2 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	26
Hermann-Mauguin space group symbol	P m c 21
Hall space group symbol	P 2c -2
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4313307.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313307.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313307.cif
6376	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313307 via cif-deposit CGI script.	4313307.cif