Information card for entry 7014073

Structure parameters

• Formula: C96 H140 Cl2 Li4 N8 O12 P2
• Calculated formula: C96 H140 Cl2 Li4 N8 O12 P2
• SMILES: P1(=[N](c2ccccc2)[Li](N1c1ccccc1)([O]1CCCC1)[O]1CCCC1)(Nc1ccccc1)Nc1ccccc1.P1(=[N](c2ccccc2)[Li](N1c1ccccc1)([O]1CCCC1)[O]1CCCC1)(Nc1ccccc1)Nc1ccccc1.[Cl-].[Cl]([Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations.
• Authors of publication: Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 989 - 995
• a: 13.135 ± 0.007 Å
• b: 13.475 ± 0.007 Å
• c: 15.345 ± 0.008 Å
• α: 107.012 ± 0.009°
• β: 105.86 ± 0.009°
• γ: 90.125 ± 0.009°
• Cell volume: 2488 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2457
• Weighted residual factors for all reflections included in the refinement: 0.2791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No