Crystallography Open Database

Information card for entry 1508013

Preview

Coordinates	1508013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H16 Ga2 N2 O S7 Sb2
Calculated formula	C4 H16 Ga2 N2 O S7 Sb2
Title of publication	Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide.
Authors of publication	Ding, Nan; Kanatzidis, Mercouri G.
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	3
Pages of publication	187 - 191
a	9.1374 ± 0.0016 Å
b	10.0229 ± 0.0017 Å
c	11.704 ± 0.002 Å
α	90°
β	106.312 ± 0.003°
γ	90°
Cell volume	1028.7 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508013.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508013.cif
62559	2012-07-09	cif/ Adding structures of 1508013 via cif-deposit CGI script.	1508013.cif