Information card for entry 2236014

Structure parameters

• Chemical name: <i>trans</i>-Bis[1-(2-benzamidoethyl)-3-(2,4,6-trimethylphenyl)imidazol- 2-ylidene]dichloridopalladium(II)
• Formula: C42 H46 Cl2 N6 O2 Pd
• Calculated formula: C42 H46 Cl2 N6 O2 Pd
• SMILES: N1(C(N(C=C1)c1c(cc(cc1C)C)C)=[Pd](=C1N(C=CN1c1c(cc(cc1C)C)C)CCNC(=O)c1ccccc1)(Cl)Cl)CCNC(=O)c1ccccc1
• Title of publication: <i>trans</i>-Bis[1-(2-benzamidoethyl)-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]dichloridopalladium(II)
• Authors of publication: Warsink, Stefan; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1075 - m1076
• a: 12.594 ± 0.004 Å
• b: 11.736 ± 0.004 Å
• c: 14.403 ± 0.004 Å
• α: 90°
• β: 113.31 ± 0.001°
• γ: 90°
• Cell volume: 1955.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0235
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes