Information card for entry 4338155

Structure parameters

• Formula: C3 H90 Al7 In6 N15 O96
• Calculated formula: Al7 H72 In6 N12 O84
• SMILES: [OH]12[Al]3456[OH][Al]782([OH][In]([OH]3)([OH2])([OH2])([OH2])[OH2])[OH]2[Al]39%101[OH]1[Al]%112([OH][Al]2%121([OH][In]([OH]%11)([OH2])([OH2])([OH2])[OH2])[OH]9[Al]19([OH]3[Al]([OH]1)([OH][In]([OH]9)([OH2])([OH2])([OH2])[OH2])([OH]4%10)([OH]5)[OH][In]([OH]6)([OH2])([OH2])([OH2])[OH2])([OH]2)[OH][In]([OH]%12)([OH2])([OH2])([OH2])[OH2])([OH]7)[OH][In]([OH]8)([OH2])([OH2])([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Transmetalation of aqueous inorganic clusters: a useful route to the synthesis of heterometallic aluminum and indium hydroxo-aquo clusters.
• Authors of publication: Kamunde-Devonish, Maisha K; Jackson, Jr, Milton N; Mensinger, Zachary L.; Zakharov, Lev N.; Johnson, Darren W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7101 - 7105
• a: 20.3816 ± 0.001 Å
• b: 20.3816 ± 0.001 Å
• c: 18.511 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6659.4 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No