Information card for entry 4315542

Structure parameters

• Formula: C16 H36 I N P2 Se
• Calculated formula: C16 H36 I N P2 Se
• SMILES: IP(=NP(=[Se])(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Multinuclear NMR Spectra, and X-ray Structures of tBu2PNP(I)tBu2 and EPR2NP(I)R2 (E = Se, Te; R =iPr,tBu)
• Authors of publication: Jamie S. Ritch; Stuart D. Robertson; Maarit Risto; Tristram Chivers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4681 - 4686
• a: 8.365 ± 0.0017 Å
• b: 13.832 ± 0.003 Å
• c: 18.646 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No