Information card for entry 7020114

Structure parameters

• Formula: K10 Ni5 O88 Si2 W18
• Calculated formula: K10 Ni5 O88 Si2 W18
• Title of publication: A nickel containing polyoxometalate water oxidation catalyst.
• Authors of publication: Zhu, Guibo; Glass, Elliot N.; Zhao, Chongchao; Lv, Hongjin; Vickers, James W.; Geletii, Yurii V.; Musaev, Djamaladdin G.; Song, Jie; Hill, Craig L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 42
• Pages of publication: 13043 - 13049
• a: 13.32 ± 0.002 Å
• b: 15.86 ± 0.003 Å
• c: 23.521 ± 0.004 Å
• α: 74.624 ± 0.003°
• β: 76.583 ± 0.003°
• γ: 75.041 ± 0.002°
• Cell volume: 4556.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1551
• 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