Information card for entry 2014348

Structure parameters

• Chemical name: chloro[2-(2,6-dimethylphenyl)-6-(diphenylphosphanomethyl)pyridine- κ^2^N,P]methylpalladium(II)
• Formula: C27 H27 Cl N P Pd
• Calculated formula: C27 H27 Cl N P Pd
• SMILES: [Pd]1(Cl)([P](Cc2[n]1c(ccc2)c1c(cccc1C)C)(c1ccccc1)c1ccccc1)C
• Title of publication: New palladium complexes with phosphino- and phosphinitopyridine ligands
• Authors of publication: Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m81 - m86
• a: 11.507 ± 0.001 Å
• b: 12.011 ± 0.002 Å
• c: 17.49 ± 0.002 Å
• α: 90°
• β: 99.92 ± 0.05°
• γ: 90°
• Cell volume: 2381.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1214
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes