Information card for entry 7003576

Structure parameters

• Formula: C12 H28 N Na P2 Se2
• Calculated formula: C12 H28 N Na P2 Se2
• SMILES: [Se]=P(N=P([Se-])(C(C)C)C(C)C)(C(C)C)C(C)C.[Na+]
• 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: 7.9188 ± 0.0004 Å
• b: 9.6259 ± 0.0004 Å
• c: 13.0855 ± 0.0006 Å
• α: 106.746 ± 0.003°
• β: 99.958 ± 0.003°
• γ: 104.559 ± 0.003°
• Cell volume: 891.5 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No