Information card for entry 7114424

Structure parameters

• Common name: [Li(tmeda){Ph2PC(NiPr)2}]
• Formula: C25 H40 Li N4 P
• Calculated formula: C25 H40 Li N4 P
• SMILES: [Li]12([P](C(=N\C(C)C)/N1C(C)C)(c1ccccc1)c1ccccc1)[N](CC[N]2(C)C)(C)C
• Title of publication: Variable coordination chemistry of the phospha(iii)guanidinate anion; application as a metal-functionalised phosphine ligandElectronic supplementary information (ESI) available: simulated and observed NMR spectra. See http://www.rsc.org/suppdata/cc/b2/b209026k/
• Authors of publication: Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2794
• a: 9.5099 ± 0.0002 Å
• b: 11.9348 ± 0.0002 Å
• c: 28.6122 ± 0.0006 Å
• α: 98.125 ± 0.001°
• β: 75.908 ± 0.001°
• γ: 122.665 ± 0.003°
• Cell volume: 2651.37 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No