Information card for entry 7014070

Structure parameters

• Formula: C32 H39 Cl Li N4 O2 P
• Calculated formula: C32 H39 Cl Li N4 O2 P
• SMILES: c1(ccccc1)[N]([Li](Cl)([O]1CCCC1)[O]1CCCC1)=P(Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1
• 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: 9.8386 ± 0.0011 Å
• b: 15.0001 ± 0.0017 Å
• c: 11.1318 ± 0.0013 Å
• α: 90°
• β: 104.66 ± 0.002°
• γ: 90°
• Cell volume: 1589.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No