Crystallography Open Database

Information card for entry 1529375

Preview

Coordinates	1529375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 N6 O82 P2 Ti4 W20
Calculated formula	C104 N6 O82 P2 Ti4 W20
Title of publication	Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species
Authors of publication	Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka
Journal of publication	Catal. Sci. Technol.
Year of publication	2015
Journal volume	5
Journal issue	10
Pages of publication	4778
a	23.1112 ± 0.0001 Å
b	15.2701 ± 0.0001 Å
c	27.7104 ± 0.0002 Å
α	90°
β	108.738 ± 0.0004°
γ	90°
Cell volume	9260.94 ± 0.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0455
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170920 (current)	2015-12-09	cif/ Updating files of 1529375, 1529376 Original log message: Adding full bibliography for 1529375--1529376.cif.	1529375.cif
153292	2015-08-08	cif/ Adding structures of 1529375, 1529376 via cif-deposit CGI script.	1529375.cif