Information card for entry 7025949

Structure parameters

• Formula: C27 H45 Al K2 N2 O Si2
• Calculated formula: C27 H45 Al K2 N2 O Si2
• SMILES: [Al]1([N]([Si](C)(C)C)=C(C=C(N1[Si](C)(C)C)c1ccccc1)c1ccccc1)(C)C.[K+].[K+].O(CC)CC
• Title of publication: Crystalline di- or trianionic metal (Al, Sm) beta-diketiminates.
• Authors of publication: Coles, Martyn P.; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 28
• Pages of publication: 6426 - 6433
• a: 13.8525 ± 0.0007 Å
• b: 14.1721 ± 0.0008 Å
• c: 16.9078 ± 0.0007 Å
• α: 90°
• β: 101.807 ± 0.003°
• γ: 90°
• Cell volume: 3249.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.081
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No