Information card for entry 4314318

Structure parameters

• Formula: C18 H25 N P2 S Se
• Calculated formula: C18 H25 N P2 S Se
• SMILES: [Se]=P(NP(=S)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Characterization of HN(SPiPr2)(SePPh2) and [Te{N(SPiPr2)(SePPh2)}2]
• Authors of publication: Perumal Sekar; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6294 - 6299
• a: 9.956 ± 0.0006 Å
• b: 17.9053 ± 0.001 Å
• c: 22.4156 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3995.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.469
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No