Information card for entry 4071671

Structure parameters

• Common name: Se=P(Pic)Ph2
• Chemical name: Diphenyl-(2-picolyl)phosphane selenide
• Formula: C18 H16 N P Se
• Calculated formula: C18 H16 N P Se
• SMILES: c1(ccccc1)P(c1ccccc1)(Cc1ccccn1)=[Se]
• Title of publication: Heteroaromatic Substituted Phosphoranes with Enhanced Hemilabile Character
• Authors of publication: Kling, Christian; Ott, Holger; Schwab, Gerald; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5038
• a: 12.6149 ± 0.0007 Å
• b: 7.2983 ± 0.0004 Å
• c: 17.4007 ± 0.001 Å
• α: 90°
• β: 100.102 ± 0.001°
• γ: 90°
• Cell volume: 1577.2 ± 0.15 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: 0.0189
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No