Crystallography Open Database

Information card for entry 7233619

Preview

Coordinates	7233619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H2 O6 P2 Ti
Calculated formula	H2 O6 P2 Ti
Title of publication	Ionothermal synthesis of a photoelectroactive titanophosphite with a three-dimensional open-framework
Authors of publication	Wu, Junbiao; Lou, Luqi; Liu, Hang; Su, Tan; Wang, Zhuopeng; Li, Jiyang
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	39
Pages of publication	5867
a	4.8518 ± 0.0003 Å
b	8.1747 ± 0.0005 Å
c	6.8142 ± 0.0004 Å
α	90°
β	105.468 ± 0.001°
γ	90°
Cell volume	260.48 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0249
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
223565 (current)	2019-11-07	cif/ Updating files of 7233619 Original log message: Adding full bibliography for 7233619.cif.	7233619.cif
217946	2019-09-04	cif/ Adding structures of 7233619 via cif-deposit CGI script.	7233619.cif