Crystallography Open Database

Information card for entry 4343532

Preview

Coordinates	4343532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 N2 O5 W
Calculated formula	C10 H8 N2 O5 W
SMILES	[W]123(OO1)(OO2)(=O)[n]1ccccc1c1[n]3cccc1
Title of publication	Crystal Structure and Catalytic Behavior in Olefin Epoxidation of a One-Dimensional Tungsten Oxide/Bipyridine Hybrid.
Authors of publication	Amarante, Tatiana R.; Antunes, Margarida M.; Valente, Anabela A.; Paz, Filipe A Almeida; Pillinger, Martyn; Gonçalves, Isabel S
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	20
Pages of publication	9690 - 9703
a	6.2509 ± 0.0006 Å
b	12.5514 ± 0.0011 Å
c	13.6903 ± 0.0012 Å
α	90°
β	91.851 ± 0.003°
γ	90°
Cell volume	1073.55 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
170795 (current)	2015-12-06	cif/ Updating files of 4343532 Original log message: Adding full bibliography for 4343532.cif.	4343532.cif
139918	2015-07-03	cif/ Adding structures of 4343532 via cif-deposit CGI script.	4343532.cif