Information card for entry 4304256

Structure parameters

• Formula: C32 H72 Al2 Cu2 O8
• Calculated formula: C32 H72 Al2 Cu2 O8
• SMILES: [Al]1(OC(C)(C)C)(OC(C)(C)C)[O](C(C)(C)C)[Cu][O](C(C)(C)C)[Al]([O](C(C)(C)C)[Cu][O]1C(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: 9.536 ± 0.002 Å
• b: 10.209 ± 0.002 Å
• c: 11.387 ± 0.002 Å
• α: 96.91 ± 0.03°
• β: 103.95 ± 0.03°
• γ: 96.4 ± 0.03°
• Cell volume: 1056.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No