Crystallography Open Database

Information card for entry 7039567

Preview

Coordinates	7039567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H64 N12 O26 V4 W4
Calculated formula	C16 H52 N12 O26 V4 W4
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	13.1608 ± 0.0007 Å
b	12.6983 ± 0.0007 Å
c	27.5889 ± 0.0013 Å
α	90°
β	101.296 ± 0.006°
γ	90°
Cell volume	4521.3 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
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	0.0493
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
185344 (current)	2016-08-07	cif/ Updating files of 7039566, 7039567 Original log message: Adding full bibliography for 7039566--7039567.cif.	7039567.cif
183657	2016-06-17	cif/ Adding structures of 7039566, 7039567 via cif-deposit CGI script.	7039567.cif