Crystallography Open Database

Information card for entry 4115474

Preview

Coordinates	4115474.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	clathrate-III
Formula	Cs1.72 Na0.35 Rb2.03 Sn20.31
Calculated formula	Cs1.712 Na0.345 Rb2.038 Sn20.305
Title of publication	Clathrate III of Group 14 Exists After All
Authors of publication	Svilen Bobev; Slavi C. Sevov
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	3389 - 3390
a	23.49 ± 0.001 Å
b	23.49 ± 0.001 Å
c	12.087 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6669.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
178925 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/54.	4115474.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115474.cif
69027	2012-11-30	cif/ Adding structures of 4115474 via cif-deposit CGI script.	4115474.cif