Information card for entry 2229639

Structure parameters

• Chemical name: <i>trans</i>-Bis[1-(2-anilino-2-oxoethyl)-3-benzyl-1<i>H</i>- imidazol-2-yl]palladium(II) methanol disolvate
• Formula: C38 H40 N6 O4 Pd
• Calculated formula: C38 H40 N6 O4 Pd
• SMILES: C12N(C=CN1CC(=O)N(c1ccccc1)[Pd]1=2=C2N(C=CN2Cc2ccccc2)CC(=O)N1c1ccccc1)Cc1ccccc1.OC.OC
• Title of publication: <i>trans</i>-Bis[1-(2-anilino-2-oxoethyl)-3-benzyl-1<i>H</i>-imidazol-2-yl]palladium(II) methanol disolvate
• Authors of publication: Lee, Hon Man; Chang, Yu-Chuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m467
• a: 17.822 ± 0.002 Å
• b: 9.0616 ± 0.0011 Å
• c: 21.473 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3467.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes