Crystallography Open Database

Information card for entry 7049252

Preview

Coordinates	7049252.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Bi2(DMSO)6V12O33Br]2[Cu(DMSO)6]11DMSO
Formula	C29.33 H87.45 Bi2 Br Cu0.5 O47.67 S14.67 V12
Calculated formula	C29.33 H87.45 Bi2 Br Cu0.5 O47.665 S14.665 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	17.5211 ± 0.0004 Å
b	17.6944 ± 0.0005 Å
c	17.7072 ± 0.0004 Å
α	119.338 ± 0.0011°
β	90.7032 ± 0.0013°
γ	107.71 ± 0.0014°
Cell volume	4471.9 ± 0.2 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for all reflections	0.1231
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	0.9948
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.	7049252.cif
214044	2019-03-08	cif/ Adding structures of 7049248, 7049249, 7049250, 7049251, 7049252 via cif-deposit CGI script.	7049252.cif