Information card for entry 2224894

Structure parameters

• Chemical name: Bis(triphenylphosphoranylidene)ammonium iodide
• Formula: C36 H30 I N P2
• Calculated formula: C36 H30 I N P2
• SMILES: [I-].c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(triphenylphosphoranylidene)ammonium iodide
• Authors of publication: Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Timmis, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o319
• a: 29.6827 ± 0.0006 Å
• b: 10.1604 ± 0.0002 Å
• c: 20.2114 ± 0.0004 Å
• α: 90°
• β: 91.337 ± 0.001°
• γ: 90°
• Cell volume: 6093.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes