Information card for entry 7027185

Structure parameters

• Formula: C55 H80 Li N4 P3 Si3
• Calculated formula: C55 H80 Li N4 P3 Si3
• SMILES: P([Si]([C-]([Si](P(c1ccccc1)c1ccccc1)(C)C)[Si](P(c1ccccc1)c1ccccc1)(C)C)(C)C)(c1ccccc1)c1ccccc1.[Li]12([N](CC[N]1(C)C)(C)C)[N](CC[N]2(C)C)(C)C
• Title of publication: Reaction of tris[(diphenylphosphino)dimethylsilyl]methane with molybdenum hexacarbonyl and deprotonation to give a salt with a planar carbanion. Crystal structures of (Ph2PMe2Si)3CH and [Li(tmen)2][C(SiMe2PPh2)3], tmen = N,N,N ′,N ′-tetramethylethane-1,2-diamine
• Authors of publication: Avent, Anthony G.; Bonafoux, Dominique; Eaborn, Colin; Gupta, Sushil K.; Hitchcock, Peter B.; Smith, J. David
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 6
• Pages of publication: 831
• a: 15.023 ± 0.004 Å
• b: 16.592 ± 0.004 Å
• c: 23.174 ± 0.011 Å
• α: 90°
• β: 90.78 ± 0.03°
• γ: 90°
• Cell volume: 5776 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1887
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections: 0.1789
• Weighted residual factors for significantly intense reflections: 0.1445
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No