Information card for entry 7017593

Structure parameters

• Formula: Co4 H69 K10.2 Na0.8 O105 Si2 W19
• Calculated formula: Co4 K10.2 Na0.8 O89.3 Si2 W19
• Title of publication: Water oxidation catalyzed by a new tetracobalt-substituted polyoxometalate complex: [{Co(4)(μ-OH)(H(2)O)(3)}(Si(2)W(19)O(70))](11-).
• Authors of publication: Zhu, Guibo; Geletii, Yurii V.; Kögerler, Paul; Schilder, Helmut; Song, Jie; Lense, Sheri; Zhao, Chongchao; Hardcastle, Kenneth I.; Musaev, Djamaladdin G.; Hill, Craig L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2084 - 2090
• a: 13.049 ± 0.007 Å
• b: 17.315 ± 0.009 Å
• c: 22.642 ± 0.012 Å
• α: 67.54 ± 0.008°
• β: 74.221 ± 0.008°
• γ: 84.294 ± 0.008°
• Cell volume: 4550 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No