Information card for entry 4077240

Structure parameters

• Formula: C97 H128 Li4 N8 P4
• Calculated formula: C76 H104 Li4 N8 P4
• SMILES: [Li]123[P]4(C[Li]5([P]6(C[Li]7([P]8(C[Li]9([P](C3)(c3ccccc3C[N]1(C)C)c1ccccc1C[N]9(C)C)[N](Cc1c8cccc1)(C)C)c1ccccc1C[N]7(C)C)[N](Cc1c6cccc1)(C)C)c1ccccc1C[N]5(C)C)[N](Cc1c4cccc1)(C)C)c1ccccc1C[N]2(C)C
• Title of publication: Regioselective Metalation of a Tertiary Phosphine. Synthesis and Structural Characterization of an Unusual Tetrameric Lithium Phosphinomethanide
• Authors of publication: Izod, Keith; O'Shaughnessy, Paul; Clegg, William; Liddle, Stephen T.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 4
• Pages of publication: 648
• a: 16.6255 ± 0.0007 Å
• b: 16.8352 ± 0.0007 Å
• c: 19.2871 ± 0.0008 Å
• α: 113.89 ± 0.002°
• β: 92.138 ± 0.002°
• γ: 90.708 ± 0.002°
• Cell volume: 4930.2 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No