Information card for entry 7116186

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 ų
• 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 Fobs: No