Information card for entry 2203787

Structure parameters

• Formula: C39 H42 Cl4 N4 Pd
• Calculated formula: C39 H42 Cl4 N4 Pd
• SMILES: [Pd](Cl)(Cl)(=C1N(C=CN1[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)=C1N(C=CN1[C@H](C)c1ccccc1)[C@H](C)c1ccccc1.C(Cl)Cl
• Title of publication: (<i>R</i>)-Bis[1,3-bis(1-phenylethyl)imidazolin-2-ylidene]dichloropalladium(II) dichloromethane solvate
• Authors of publication: Lebel, Hélène; Sanchez Salvatori, Maria del Rayo; Bélanger-Gariépy, Francine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m755 - m757
• a: 11.6567 ± 0.0001 Å
• b: 13.6627 ± 0.0001 Å
• c: 24.1997 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3854.09 ± 0.05 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes