Crystallography Open Database

Information card for entry 7230542

Preview

Coordinates	7230542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 O27 P4 U4
Calculated formula	C12 H16 O27 P4 U4
Title of publication	A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence
Authors of publication	Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	23
Pages of publication	3153
a	21.114 ± 0.006 Å
b	21.114 ± 0.006 Å
c	6.941 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3094.3 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
229104 (current)	2019-11-17	cif/ Updating files of 7230541, 7230542 Original log message: Adding full bibliography for 7230541--7230542.cif.	7230542.cif
207427	2018-04-21	cif/ Adding structures of 7230541, 7230542 via cif-deposit CGI script.	7230542.cif