Crystallography Open Database

Information card for entry 7711914

7711913 << 7711914 >> 7711915

Preview

Coordinates	7711914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H130 Cl0.5 Fe3 N9 Na0.5 O88 P2 W15
Calculated formula	C15.6 Fe3 N4.2 Na0.5001 O72.05 P2 W15
Title of publication	Tris-decorated multi-iron polyoxotungstates.
Authors of publication	Izarova, Natalya V.; Faassen, Fabian; Kögerler, Paul
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	546 - 550
a	16.376 ± 0.002 Å
b	16.376 ± 0.002 Å
c	25.646 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	5956.2 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.2255
Weighted residual factors for all reflections included in the refinement	0.2641
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
283343 (current)	2023-05-05	cif/ Updating files of 7711914, 7711915 Original log message: Adding full bibliography for 7711914--7711915.cif.	7711914.cif
279847	2022-12-13	cif/ Adding structures of 7711914, 7711915 via cif-deposit CGI script.	7711914.cif