Information card for entry 4083863

Structure parameters

• Formula: C24 H22 Cl2 N P Pd
• Calculated formula: C24 H22 Cl2 N P Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2c(cccc2)[N+]2C1(C=CC=2C)C)(Cl)Cl
• Title of publication: A “Hemilabile” Palladium‒Carbon Bond: Characterization and Its Implication in Catalysis
• Authors of publication: Saha, Debajyoti; Verma, Ravi; Kumar, Devesh; Pathak, Shubhrodeep; Bhunya, Sourav; Sarkar, Amitabha
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140702101148002
• a: 14.616 ± 0.0017 Å
• b: 10.7894 ± 0.0013 Å
• c: 14.6807 ± 0.0018 Å
• α: 90°
• β: 102.959 ± 0.003°
• γ: 90°
• Cell volume: 2256.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No