Information card for entry 4315545

Structure parameters

• Formula: C16 H36 I N P2
• Calculated formula: C16 H36 I N P2
• SMILES: IP(C(C)(C)C)(C(C)(C)C)=NP(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: 13.8624 ± 0.0003 Å
• b: 9.3548 ± 0.0002 Å
• c: 15.9801 ± 0.0004 Å
• α: 90°
• β: 91.759 ± 0.001°
• γ: 90°
• Cell volume: 2071.32 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No