Information card for entry 8105680

Structure parameters

• Formula: C25 H31 Cl2 N3 O Pd
• Calculated formula: C25 H31 Cl2 N3 O Pd
• SMILES: [Pd](Cl)(Cl)([N]1CCOC=1C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Crystal structure of trans-dichlorido-(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)-(5-methyl-3,4-dihydro-2H-pyrrole-κN)palladium(II), C25H31Cl2N3OPd
• Authors of publication: Sun, Kai-Xin; Wu, Xiang-Ting; Li, Guo-Xing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 455 - 456
• a: 9.4083 ± 0.0004 Å
• b: 17.1334 ± 0.0008 Å
• c: 31.9251 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5146.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No