Crystallography Open Database

Information card for entry 7049250

Preview

Coordinates	7049250.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[H2V10O28][VO(DMSO)5]2
Formula	C3.15 H9.7 O5.32 S1.58 V1.5
Calculated formula	C3.15 H9.7 O5.325 S1.575 V1.5
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	11.9361 ± 0.0004 Å
b	11.9973 ± 0.0004 Å
c	13.9248 ± 0.0005 Å
α	98.3028 ± 0.0013°
β	111.484 ± 0.0013°
γ	91.0122 ± 0.0013°
Cell volume	1830.65 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.099
Weighted residual factors for all reflections	0.3317
Weighted residual factors for significantly intense reflections	0.3128
Weighted residual factors for all reflections included in the refinement	0.3317
Goodness-of-fit parameter for all reflections included in the refinement	1.449
Diffraction radiation wavelength	1.54178 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.	7049250.cif
214044	2019-03-08	cif/ Adding structures of 7049248, 7049249, 7049250, 7049251, 7049252 via cif-deposit CGI script.	7049250.cif