Crystallography Open Database

Information card for entry 7225280

Preview

Coordinates	7225280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu1.5 H24.5 O52.25 P W12
Calculated formula	Cu1.5 O52.25 P W12
Title of publication	Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O
Authors of publication	Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	28
Pages of publication	5327
a	12.9417 ± 0.0002 Å
b	21.8435 ± 0.0003 Å
c	15.0559 ± 0.0002 Å
α	90°
β	94.18 ± 0.0013°
γ	90°
Cell volume	4244.86 ± 0.1 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	5
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	0.036
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.167
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185267 (current)	2016-08-07	cif/ Updating files of 7225280, 7225281, 7225282, 7225283 Original log message: Adding full bibliography for 7225280--7225283.cif.	7225280.cif
183035	2016-05-20	cif/ Adding structures of 7225280, 7225281, 7225282, 7225283 via cif-deposit CGI script.	7225280.cif