Crystallography Open Database

Information card for entry 7039566

Preview

Coordinates	7039566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H60 N12 O18 V4 W2
Calculated formula	C16 H59.2 N12 O18 V4 W2
Title of publication	Small, beautiful and magnetically exotic: {V4W2}- and {V4W4}-type polyoxometalates.
Authors of publication	Rasmussen, Maren; Näther, Christian; van Leusen, Jan; Warzok, Ulrike; Schalley, Christoph A.; Kögerler, Paul; Bensch, Wolfgang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	26
Pages of publication	10519 - 10522
a	8.4223 ± 0.0007 Å
b	10.4091 ± 0.0008 Å
c	11.8757 ± 0.001 Å
α	100.764 ± 0.009°
β	108.148 ± 0.009°
γ	100.314 ± 0.009°
Cell volume	940.03 ± 0.16 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
185344 (current)	2016-08-07	cif/ Updating files of 7039566, 7039567 Original log message: Adding full bibliography for 7039566--7039567.cif.	7039566.cif
183657	2016-06-17	cif/ Adding structures of 7039566, 7039567 via cif-deposit CGI script.	7039566.cif