Crystallography Open Database

Information card for entry 1561588

Preview

Coordinates	1561588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 Cs2 K0.5 O68 P2 W18
Calculated formula	C3 Cs2 K0.5 O68 P2 W18
Title of publication	Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives.
Authors of publication	Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka
Journal of publication	Nanoscale
Year of publication	2021
Journal volume	13
Journal issue	17
Pages of publication	8049 - 8057
a	17.209 ± 0.0003 Å
b	17.209 ± 0.0006 Å
c	28.557 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	7324.1 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.1532
Residual factor for significantly intense reflections	0.1008
Weighted residual factors for significantly intense reflections	0.3464
Weighted residual factors for all reflections included in the refinement	0.3674
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.61 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266117 (current)	2021-06-05	cif/ Updating files of 1561588, 1561589, 1561590 Original log message: Adding full bibliography for 1561588--1561590.cif.	1561588.cif
263994	2021-04-09	cif/ Adding structures of 1561588, 1561589, 1561590 via cif-deposit CGI script.	1561588.cif