Information card for entry 2015989

Structure parameters

• Chemical name: trans-[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2- ylidene]dichlorido(triphenylphosphine-κP)palladium(II)
• Formula: C39 H41 Cl2 N2 P Pd
• Calculated formula: C39 H41 Cl2 N2 P Pd
• SMILES: [Pd](=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>trans</i>-[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido(triphenylphosphine-κ<i>P</i>)palladium(II)
• Authors of publication: Sevinçek, Resul; Türkmen, Hayati; Aygün, Muhittin; Çetinkaya, Bekir; García-Granda, Santiago
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m277 - m279
• a: 17.418 ± 0.003 Å
• b: 13.802 ± 0.0017 Å
• c: 14.982 ± 0.006 Å
• α: 90°
• β: 91.9 ± 0.05°
• γ: 90°
• Cell volume: 3599.7 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes