Information card for entry 4347102

Structure parameters

• Formula: C16 H36 P2 Se
• Calculated formula: C16 H36 P2 Se
• SMILES: C(C)(C)(C)P(C(C)(C)C)[Se]P(C(C)(C)C)C(C)(C)C
• Title of publication: Condensation Reactions of Chlorophosphanes with Chalcogenides.
• Authors of publication: Yogendra, Sivathmeehan; Chitnis, Saurabh S.; Hennersdorf, Felix; Bodensteiner, Michael; Fischer, Roland; Burford, Neil; Weigand, Jan J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1854 - 1860
• a: 8.8123 ± 0.0005 Å
• b: 15.0897 ± 0.0008 Å
• c: 15.0874 ± 0.0008 Å
• α: 90°
• β: 91.709 ± 0.002°
• γ: 90°
• Cell volume: 2005.35 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No