Information card for entry 2232061

Structure parameters

• Chemical name: Bis(triphenylphosphanylidene)ammonium hydrogen dichloride
• Formula: C36 H31 Cl2 N P2
• Calculated formula: C36 H31 Cl2 N P2
• SMILES: c1(ccccc1)P(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.Cl[H]Cl
• Title of publication: Bis(triphenyl-λ^5^-phosphanylidene)ammonium hydrogen dichloride
• Authors of publication: Gellhaar, Jorit; Knapp, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2546
• a: 11.6467 ± 0.0003 Å
• b: 16.5474 ± 0.0004 Å
• c: 15.7584 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3037 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes