Information card for entry 7003575

Structure parameters

• Formula: C12 H29 N P2 Se
• Calculated formula: C12 H29 N P2 Se
• SMILES: [Se]=P(N=P(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: 8.648 ± 0.0003 Å
• b: 8.8274 ± 0.0004 Å
• c: 11.5664 ± 0.0004 Å
• α: 100.606 ± 0.002°
• β: 102.617 ± 0.002°
• γ: 90.515 ± 0.002°
• Cell volume: 845.81 ± 0.06 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: 0.0475
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No