Information card for entry 7007468

Structure parameters

• Common name: 1-(2-diphenylphosphino-isopropyl)-4-methyl-piperazine hydrochloride
• Chemical name: 1-(2-diphenylphosphino-isopropyl)-4-methyl-piperazine hydrochloride
• Formula: C20 H28 Cl N2 P
• Calculated formula: C20 H28 Cl N2 P
• SMILES: [Cl-].P(CC(N1CC[NH+](CC1)C)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: 20.016 ± 0.002 Å
• b: 68.506 ± 0.009 Å
• c: 5.946 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8153.3 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No