Information card for entry 4122671

Structure parameters

• Formula: H68 K4 Na6 Ni4 O102 P2 W18
• Calculated formula: H4 K4 Na6 Ni4 O102 P2 W18
• SMILES: O1[W]234(O[W]567([O]89P%10%11[O]%12%13[W]%14%15%16(O[W]%17%18(O[W]8(O%14)(O[W]89(O[W]9%12(O[W]%12%13(O%15)(O[W]1([O]3%10%17)(O%18)(=[O][Ni]1([O]=4)([OH2])[O]3[Ni]4([O]=%11)([O]8[Ni]8%10([O]9[Ni]9%11([O]=%12)[O]=P%12%13[O]%14%15[W]%17%18%19(O[W]%20%21%22(O[W]%23%24(O%17)([O@]%17%12[W]%123(O[W]%15(O%18)(O[W]%14(O[W]3(O[W](O[W]%17(O%23)(O%12)(=[O]4)=O)([O]%13%213)(O%22)(=[O]8)=O)(O%20)(=[O]%10)=O)(O%19)(=[O]%11)=O)([O]19)=O)(O%24)=O)=O)=O)=O)[OH2])[O]=7)=O)=O)(O%16)=O)(O5)=O)(O6)=O)(O2)=O)=O)=O)=O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[K+].[K+].O.O.O.O.O.O.O.O.O
• Title of publication: A Noble-Metal-Free, Tetra-nickel Polyoxotungstate Catalyst for Efficient Photocatalytic Hydrogen Evolution.
• Authors of publication: Lv, Hongjin; Guo, Weiwei; Wu, Kaifeng; Chen, Zheyuan; Bacsa, John; Musaev, Djamaladdin G.; Geletii, Yurii V.; Lauinger, Sarah M.; Lian, Tianquan; Hill, Craig L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 40
• Pages of publication: 14015
• a: 11.5861 ± 0.0016 Å
• b: 12.2589 ± 0.0017 Å
• c: 16.041 ± 0.002 Å
• α: 82.4668 ± 0.0016°
• β: 88.9589 ± 0.0016°
• γ: 75.582 ± 0.0015°
• Cell volume: 2187.3 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No