Crystallography Open Database

Information card for entry 7116187

Preview

Coordinates	7116187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H54 Ir Na6 O50 W6
Calculated formula	Ir Na6 O46 W6
SMILES	[W]123(O[W]45(O[W]67(O[W]89(O[W]%10%11(O[W]%12(O1)([O]3[Ir]([O]24)([O]8%10)([O]69)([O]57)[O]%11%12)(=O)=O)(=O)=O)(=O)=O)(=O)=O)(=O)=O)(=O)=O.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.[Na+].O.O.[Na+].O.O.O.[Na+].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	8.9995 ± 0.0002 Å
b	11.2653 ± 0.0002 Å
c	12.4259 ± 0.0003 Å
α	108.449 ± 0.002°
β	106.127 ± 0.002°
γ	105.317 ± 0.002°
Cell volume	1058.86 ± 0.05 Å³
Cell temperature	119.95 ± 0.1 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
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.	7116187.cif
129289	2015-01-01	cif/ Adding structures of 7116187 via cif-deposit CGI script.	7116187.cif