Information card for entry 7003690

Structure parameters

• Common name: mar4200
• Formula: C36 H68 Li2 N2 Si4
• Calculated formula: C36 H68 Li2 N2 Si4
• SMILES: [Li]([N]1([Si](C)(C)C)[Li]2[CH]([Si](C)(C)C)=C1C13CC4CC(CC(C1)C4)C3)[N]2([Si](C)(C)C)C(=C\[Si](C)(C)C)/C12CC3CC(CC(C1)C3)C2
• 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: 17.9148 ± 0.0005 Å
• b: 12.7201 ± 0.0003 Å
• c: 19.5483 ± 0.0005 Å
• α: 90°
• β: 115.999 ± 0.001°
• γ: 90°
• Cell volume: 4003.83 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No