Information card for entry 7003696

Structure parameters

• Formula: C42 H76 Li N3 O2 Si3
• Calculated formula: C42 H76 Li N3 O2 Si3
• SMILES: [Li](N([Si]1([Si](C)(C)C)N(c2c(N1CC(C)(C)C)cccc2)CC(C)(C)C)/C(=C/[Si](C)(C)C)C12CC3CC(C1)CC(C2)C3)([O]1CCCC1)[O]1CCCC1
• 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: 19.3106 ± 0.0007 Å
• b: 18.0975 ± 0.0004 Å
• c: 13.1943 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4611.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No