Crystallography Open Database

Information card for entry 7243261

Preview

Coordinates	7243261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F12 H48 N10 O30 P6 Zr6
Calculated formula	F12 H48 N10 O30 P6 Zr6
Title of publication	A water-stable open-framework zirconium(iv) phosphate and its water-assisted high proton conductivity
Authors of publication	Yu, Jing-Wei; Yu, Hai-Jiao; Yao, Zhi-Yuan; Li, Zi-Han; Ren, Qiu; Luo, Hong-Bin; Zou, Yang; Wang, Lifeng; Ren, Xiao-Ming
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	35
Pages of publication	6093 - 6097
a	15.502 ± 0.002 Å
b	7.5316 ± 0.0011 Å
c	19.141 ± 0.003 Å
α	90°
β	102.593 ± 0.004°
γ	90°
Cell volume	2181 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.0349
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
269685 (current)	2021-10-06	cif/ Updating files of 7243261 Original log message: Adding full bibliography for 7243261.cif.	7243261.cif
267713	2021-07-23	cif/ Adding structures of 7243261 via cif-deposit CGI script.	7243261.cif