Information card for entry 7116187

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 ų
• 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 Fobs: No