Crystallography Open Database

Information card for entry 7116186

Preview

Coordinates	7116186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H52 Ir Na8 O50 W6
Calculated formula	Ir Na8 O50 W6
SMILES	[O]12[Ir]3456[O]7[W]89(O[W]2(=O)([O]58)(O[W]21([O]4[W]1([O]6[W]4([O]3[W]7(O4)(O9)(=O)=O)(O1)(=O)=O)(O2)(=O)=O)(=O)=O)=O)(=O)=O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O
Title of publication	An Ir(IV)-containing polyoxometalate.
Authors of publication	Adonin, Sergey A.; Izarova, Natalya V.; Besson, Claire; Abramov, Pavel A.; Santiago-Schübel, Beatrix; Kögerler, Paul; Fedin, Vladimir P.; Sokolov, Maxim N.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2014
Journal volume	51
Journal issue	7
Pages of publication	1222 - 1225
a	10.7874 ± 0.0002 Å
b	11.7736 ± 0.0002 Å
c	17.9983 ± 0.0003 Å
α	90°
β	93.574 ± 0.002°
γ	90°
Cell volume	2281.46 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0671
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1855
Weighted residual factors for all reflections included in the refinement	0.1862
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180275 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/61.	7116186.cif
129288	2015-01-01	cif/ Adding structures of 7116186 via cif-deposit CGI script.	7116186.cif