Crystallography Open Database

Information card for entry 7711915

7711914 << 7711915 >> 7711916

Preview

Coordinates	7711915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H248 Cl Fe6 N18 Na O188 P4 W30
Calculated formula	C19 H32.5 Fe6 N4.75 Na O135.75 P4 W30
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	15.158 ± 0.003 Å
b	23.486 ± 0.005 Å
c	30.191 ± 0.006 Å
α	90°
β	94.36 ± 0.03°
γ	90°
Cell volume	10717 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	7711915.cif
279847	2022-12-13	cif/ Adding structures of 7711914, 7711915 via cif-deposit CGI script.	7711915.cif