Information card for entry 4074542

Structure parameters

• Formula: C23 H23 Cl2 N2 P Pd
• Calculated formula: C23 H23 Cl2 N2 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](CCN2C=1N(c1ccccc21)CC)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands
• Authors of publication: Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5927
• a: 8.9474 ± 0.0013 Å
• b: 13.912 ± 0.002 Å
• c: 17.268 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2149.5 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No