Information card for entry 4304258

Structure parameters

• Formula: C22 H38 Al Cu N2 O4
• Calculated formula: C22 H38 Al Cu N2 O4
• SMILES: C(C)([O]1[Al](OC(C)C)([O](C(C)C)[Cu]1([n]1ccccc1)[n]1ccccc1)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: 17.064 ± 0.003 Å
• b: 9.4 ± 0.002 Å
• c: 16.945 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2718 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No