Crystallography Open Database

Information card for entry 7049249

Preview

Coordinates	7049249.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[CeV12O32Cl][CeCl(DMSO)7]
Formula	C26 H76.39 Ce2 Cl2 O45 S13 V12
Calculated formula	C26 H76.3887 Ce2 Cl2 O45 S13 V12
Title of publication	A simple one-step synthetic route to access a range of metal-doped polyoxovanadate clusters.
Authors of publication	Lu, Haijiao; Jethwa, Rajesh B.; Jenkinson, Kellie J.; Wheatley, Andrew E. H.; Hao, Hongxun; Wright, Dominic S.; Pike, Sebastian D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	14
Pages of publication	4555 - 4564
a	13.6185 ± 0.0011 Å
b	20.5438 ± 0.0014 Å
c	29.162 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8158.8 ± 1 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.117
Residual factor for significantly intense reflections	0.1054
Weighted residual factors for all reflections	0.2644
Weighted residual factors for significantly intense reflections	0.2576
Weighted residual factors for all reflections included in the refinement	0.2644
Goodness-of-fit parameter for all reflections included in the refinement	1.0073
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224292 (current)	2019-11-08	cif/ Updating files of 7049248, 7049249, 7049250, 7049251, 7049252 Original log message: Adding full bibliography for 7049248--7049252.cif.	7049249.cif
214044	2019-03-08	cif/ Adding structures of 7049248, 7049249, 7049250, 7049251, 7049252 via cif-deposit CGI script.	7049249.cif