Information card for entry 4315541

Structure parameters

• Formula: C12 H28 I N P2 Se
• Calculated formula: C12 H28 I N P2 Se
• SMILES: IP(=NP(=[Se])(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: 7.4672 ± 0.0003 Å
• b: 17.2825 ± 0.0009 Å
• c: 14.226 ± 0.0005 Å
• α: 90°
• β: 102.665 ± 0.003°
• γ: 90°
• Cell volume: 1791.22 ± 0.14 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: 0.0764
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No