Information card for entry 7114423

Structure parameters

• Common name: [{Li(thf)(Ph2PC(NiPr)2)}2]
• Formula: C46 H64 Li2 N4 O2 P2
• Calculated formula: C46 H64 Li2 N4 O2 P2
• SMILES: [Li]12([O]3CCCC3)[N](C(C)C)=C(P(c3ccccc3)c3ccccc3)[N]1(C(C)C)[Li]1([O]3CCCC3)[N](C(C)C)=C(P(c3ccccc3)c3ccccc3)[N]12C(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: 9.9739 ± 0.0007 Å
• b: 19.6236 ± 0.0013 Å
• c: 11.686 ± 0.0008 Å
• α: 90°
• β: 94.531 ± 0.003°
• γ: 90°
• Cell volume: 2280.1 ± 0.3 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: 0.0849
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No