Crystallography Open Database

Information card for entry 7714601

Preview

Coordinates	7714601.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Paradodecatungstate B
Formula	Na8 O40 W12
Calculated formula	Na8 O70 W12
Title of publication	Heteroelements in polyoxometalates: a study on the influence of different group 15 elements on polyoxometalate formation.
Authors of publication	Raabe, Jan-Christian; Jameel, Froze; Stein, Matthias; Albert, Jakob; Poller, Maximilian J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	2
Pages of publication	454 - 466
a	11.7511 ± 0.0004 Å
b	12.1744 ± 0.0004 Å
c	12.4107 ± 0.0004 Å
α	82.286 ± 0.003°
β	66.379 ± 0.003°
γ	64.875 ± 0.003°
Cell volume	1471.45 ± 0.1 Å³
Cell temperature	99.97 ± 0.15 K
Ambient diffraction temperature	99.97 ± 0.15 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
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
289518 (current)	2024-02-04	cif/ Updating files of 7714599, 7714600, 7714601, 7714602 Original log message: Adding full bibliography for 7714599--7714602.cif.	7714601.cif
288024	2023-12-05	cif/ Adding structures of 7714599, 7714600, 7714601, 7714602 via cif-deposit CGI script.	7714601.cif