Information card for entry 4304252

Structure parameters

• Formula: C30 H68 Al2 Cu O8
• Calculated formula: C30 H66 Al2 Cu O8
• SMILES: [Cu]12([O](=C(C)C)[Al]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O](=C(C)C)[Al]([O]2C(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Tetraalkoxyaluminates of Nickel(II), Copper(II), and Copper(I)
• Authors of publication: Michael Veith; Kroum Valtchev; Volker Huch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1204 - 1217
• a: 9.976 ± 0.002 Å
• b: 16.361 ± 0.003 Å
• c: 25.451 ± 0.005 Å
• α: 90°
• β: 92.29 ± 0.03°
• γ: 90°
• Cell volume: 4150.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1545
• Residual factor for significantly intense reflections: 0.114
• Weighted residual factors for significantly intense reflections: 0.3005
• Weighted residual factors for all reflections included in the refinement: 0.3153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No