Information card for entry 7003694

Structure parameters

• Formula: C44 H76 Al N3 Si4
• Calculated formula: C44 H76 Al N3 Si4
• SMILES: [Al]1([N]([Si](C)(C)C)=C(C=C(N1[Si](C)(C)C)C12CC3CC(C1)CC(C2)C3)c1ccccc1)(N([Si](C)(C)C)C(=C\[Si](C)(C)C)\C12CC3CC(CC(C1)C3)C2)C
• Title of publication: Synthesis and structures of crystalline Li, Al and Sn(ii) 1-azaallyls and β-diketiminates derived from [Li{μ,η3-N(SiMe3)C(Ad)C(H)SiMe3}]2 (Ad = 1-adamantyl)
• Authors of publication: Bourget-Merle, Laurence; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3493 - 3501
• a: 11.922 ± 0.0002 Å
• b: 19.0977 ± 0.0003 Å
• c: 41.4159 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9429.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No