Information card for entry 2228303

Structure parameters

• Common name: bis(triphenylphosphine)iminium chloride
• Chemical name: Bis(triphenylphosphanylidene)iminium chloride
• Formula: C36 H30 Cl N P2
• Calculated formula: C36 H30 Cl N P2
• SMILES: c1(ccccc1)P(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
• Title of publication: Solvate-free bis(triphenylphosphine)iminium chloride
• Authors of publication: Knapp, Carsten; Uzun, Rabiya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3185
• a: 15.094 ± 0.003 Å
• b: 10.499 ± 0.002 Å
• c: 18.615 ± 0.004 Å
• α: 90°
• β: 99.06 ± 0.03°
• γ: 90°
• Cell volume: 2913.2 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes