Information card for entry 7003578

Structure parameters

• Formula: C18 H44 Li N3 P2 Se2
• Calculated formula: C18 H44 Li N3 P2 Se2
• SMILES: [Se]1=P(N=P([Se][Li]21[N](CC[N]2(C)C)(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis, NMR characterisation and X-ray structures of mixed chalcogenido PNP ligands containing tellurium: crystal structures of SeiPr2PNP(H)iPr2 and [NaN(EPiPr2)2]∞(E = Se, Te)
• Authors of publication: Robertson, Stuart D.; Chivers, Tristram
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1765 - 1772
• a: 9.9918 ± 0.0004 Å
• b: 14.3484 ± 0.0008 Å
• c: 19.232 ± 0.002 Å
• α: 90°
• β: 105.06 ± 0.03°
• γ: 90°
• Cell volume: 2662.5 ± 0.5 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: 0.09
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No