Information card for entry 2231973

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>-Bis[2-(diphenylphosphanyl)ethyl]aniline}(η^2^-dibenzylideneacetone)palladium(0)
• Formula: C51 H47 N O P2 Pd
• Calculated formula: C51 H47 N O P2 Pd
• SMILES: [Pd]12([P](c3ccccc3)(CCN(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[CH](C(=O)/C=C/c1ccccc1)=[CH]2c1ccccc1
• Title of publication: {<i>N</i>,<i>N</i>-Bis[2-(diphenylphosphanyl)ethyl]aniline}(η^2^-dibenzylideneacetone)palladium(0)
• Authors of publication: Keskin, Seyma Gören; Stanley, Julie M.; Mejía, Michelle L.; Holliday, Bradley J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1327
• a: 10.087 ± 0.002 Å
• b: 11.974 ± 0.002 Å
• c: 17.473 ± 0.004 Å
• α: 86.34 ± 0.03°
• β: 81.27 ± 0.02°
• γ: 83.15 ± 0.03°
• Cell volume: 2068.8 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.582
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes