Information card for entry 2001383

Structure parameters

• Chemical name: 2-(2,2-Bisdiphenylphosphino)ethylthio)phenylamine
• Formula: C32 H29 N P2 S
• Calculated formula: C32 H29 N P2 S
• SMILES: Nc1ccccc1SCC(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• Title of publication: 2-[2,2-Bis(diphenylphosphanyl)ethylsulfanyl]phenylamine (NSPP), a new hetero-bifunctional ligand and its PdCl~2~ complex
• Authors of publication: Flörke, U.; Haupt, H.-J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 1627 - 1629
• a: 11.325 ± 0.002 Å
• b: 12.964 ± 0.003 Å
• c: 10.038 ± 0.002 Å
• α: 104.81 ± 0.02°
• β: 96.64 ± 0.01°
• γ: 87.23 ± 0.02°
• Cell volume: 1415 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 2.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No