Information card for entry 4304249

Structure parameters

• Formula: C33 H57 Al2 N3 Ni O7
• Calculated formula: C33 H57 Al2 N3 Ni O7
• SMILES: C(C)(C)[O]1[Al](OC(C)C)(OC(C)C)[O]2[Ni]1([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[O](C(C)C)[Al]2(OC(C)C)OC(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: 12.034 ± 0.002 Å
• b: 16.732 ± 0.003 Å
• c: 17.281 ± 0.003 Å
• α: 90°
• β: 95.25 ± 0.03°
• γ: 90°
• Cell volume: 3465 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No