Information card for entry 7005119

Structure parameters

• Formula: C26 H21 N P2
• Calculated formula: C26 H21 N P2
• SMILES: P(C(P(c1ccccc1)c1ccccc1)C#N)(c1ccccc1)c1ccccc1
• Title of publication: Bis(diphenylphosphino)acetonitrile: synthesis, ligand properties and application in catalytic carbon-carbon coupling.
• Authors of publication: Braun, Leonie; Liptau, Patrick; Kehr, Gerald; Ugolotti, Juri; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 14
• Pages of publication: 1409 - 1415
• a: 13.369 ± 0.001 Å
• b: 10.018 ± 0.001 Å
• c: 16.13 ± 0.001 Å
• α: 90°
• β: 96.42 ± 0.01°
• γ: 90°
• Cell volume: 2146.8 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• 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: 0.0911
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No