Information card for entry 2013982

Structure parameters

• Chemical name: trans-[1,3-bis(2,4-dimethylphenyl) imidazolidin-2-ylidene]dichlorotriphenyl phosphinepalladium(II)
• Formula: C37 H37 Cl2 N2 P Pd
• Calculated formula: C37 H37 Cl2 N2 P Pd
• SMILES: [Pd](=C1N(CCN1c1c(cc(cc1)C)C)c1ccc(cc1C)C)(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>trans</i>-[1,3-Bis(2,4-dimethylphenyl)imidazolidin-2-ylidene]dichloro(triphenylphosphine-κ<i>P</i>)palladium(II)
• Authors of publication: Gökçe, Aytaç Gürhan; Türkmen, Hayati; Aygün, Muhittin; Çetinkaya, Bekir; Kazak, Canan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m254 - m255
• a: 13.9423 ± 0.0006 Å
• b: 14.712 ± 0.0008 Å
• c: 17.2894 ± 0.0007 Å
• α: 90°
• β: 105.446 ± 0.003°
• γ: 90°
• Cell volume: 3418.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1049
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No