Information card for entry 2229170

Structure parameters

• Chemical name: Tetrakis(benzylamino)phosphonium chloride
• Formula: C28 H32 Cl N4 P
• Calculated formula: C28 H32 Cl N4 P
• SMILES: C(c1ccccc1)N[P+](NCc1ccccc1)(NCc1ccccc1)NCc1ccccc1.[Cl-]
• Title of publication: Tetrakis(benzylamino)phosphonium chloride
• Authors of publication: Gholivand, Khodayar; Mostaanzadeh, Hossein; Farshadian, Sedigheh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o311
• a: 11.359 ± 0.003 Å
• b: 14.258 ± 0.004 Å
• c: 7.923 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1283.2 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes