Information card for entry 4304257

Structure parameters

• Formula: C42 H84 Al2 Cu2 N2 O10
• Calculated formula: C42 Al2 Cu2 N2 O10
• SMILES: C(C)(C)(C)[O]1[Al]([O]([Cu]21(O[Cu]1([n]3ccccc3)(O2)[O](C(C)(C)C)[Al]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[n]1ccccc1)C(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: 10.275 ± 0.002 Å
• b: 10.668 ± 0.002 Å
• c: 13.277 ± 0.003 Å
• α: 75.4 ± 0.03°
• β: 74.85 ± 0.03°
• γ: 79.11 ± 0.03°
• Cell volume: 1347.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1433
• Residual factor for significantly intense reflections: 0.1208
• Weighted residual factors for significantly intense reflections: 0.3114
• Weighted residual factors for all reflections included in the refinement: 0.3193
• Goodness-of-fit parameter for all reflections included in the refinement: 2.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No