Crystallography Open Database

Information card for entry 7239054

Preview

Coordinates	7239054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H92 Ce2 Cl2 O20 Ti4
Calculated formula	C36 H92 Ce2 Cl2 O20 Ti4
Title of publication	A low-temperature single-source route to an efficient broad-band cerium(iii) photocatalyst using a bimetallic polyoxotitanium cage
Authors of publication	Lv, Yaokang; Yao, Mingming; Holgado, Juan Pedro; Roth, Torsten; Steiner, Alexander; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	33
Pages of publication	13659
a	11.9651 ± 0.0006 Å
b	19.467 ± 0.0012 Å
c	12.9495 ± 0.0007 Å
α	90°
β	91.992 ± 0.002°
γ	90°
Cell volume	3014.4 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0439
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
244525 (current)	2019-11-28	cif/ Adding structures of 7239054, 7239055 via cif-deposit CGI script.	7239054.cif