Information card for entry 7007469

Structure parameters

• Common name: 1-(2-diphenylphosphino-ethyl)-4-methyl-piperazine palladium dichloride
• Chemical name: 1-(2-diphenylphosphino-ethyl)-4-methyl-piperazine palladium dichloride
• Formula: C19 H25 Cl2 N2 P Pd
• Calculated formula: C19 H25 Cl2 N2 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](CC[N]21CCN(CC2)C)(c1ccccc1)c1ccccc1
• Title of publication: Concise syntheses of tridentate PNE ligands and their coordination chemistry with palladium(II) : a solution- and solid-state study.
• Authors of publication: Anderson, Carly E.; Apperley, David C.; Batsanov, Andrei S.; Dyer, Philip W.; Howard, Judith A. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 34
• Pages of publication: 4134 - 4145
• a: 7.938 ± 0.001 Å
• b: 9.597 ± 0.001 Å
• c: 13.675 ± 0.001 Å
• α: 75.08 ± 0.01°
• β: 80.52 ± 0.01°
• γ: 88.71 ± 0.01°
• Cell volume: 992.69 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No