Information card for entry 7007471

Structure parameters

• Common name: N-methyl-piperazine palladium dichloride
• Chemical name: N-methyl-piperazine palladium dichloride
• Formula: C5 H12 Cl2 N2 Pd
• Calculated formula: C5 H12 Cl2 N2 Pd
• SMILES: C1C[N]2(C)[Pd]([NH]1CC2)(Cl)Cl
• 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: 11.0551 ± 0.0013 Å
• b: 8.1413 ± 0.0003 Å
• c: 9.399 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 845.94 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No