Crystallography Open Database

Information card for entry 7111581

Preview

Coordinates	7111581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 N2 Na0.25 O6 W2
Calculated formula	C10 H8 N2 Na0.26 O6 W2
Title of publication	Synthesis and structure of Na±intercalated WO3(4,4′-bipyridyl)0.5
Authors of publication	Islah-u-din,; Fox, Matthew R.; Martin, Hélène; Gainsford, Graeme J.; Kennedy, John; Markwitz, Andreas; Telfer, Shane G.; Jameson, Geoffrey B.; Tallon, Jeffery L.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	24
Pages of publication	4261
a	7.4683 ± 0.0003 Å
b	7.391 ± 0.0003 Å
c	22.5781 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1246.27 ± 0.08 Å³
Cell temperature	100 ± 5 K
Ambient diffraction temperature	100 ± 5 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	0.865
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180229 (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 7/11/15.	7111581.cif
96675	2014-01-29	cif/ Adding structures of 7111580, 7111581, 7111582 via cif-deposit CGI script.	7111581.cif