Information card for entry 2238559

Structure parameters

• Chemical name: Bis(triphenyl-λ^5^-phosphanylidene)ammonium chloride‒boric acid (1/1)
• Formula: C36 H33 B Cl N O3 P2
• Calculated formula: C36 H33 B Cl N O3 P2
• SMILES: P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].OB(O)O
• Title of publication: A second polymorph of bis(triphenyl-λ^5^-phosphanylidene)ammonium chloride‒boric acid adduct
• Authors of publication: Correia Bicho, Bruno A.; Bolli, Christoph; Jenne, Carsten; Seeger, Helene
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1435 - o1436
• a: 10.772 ± 0.0002 Å
• b: 11.4243 ± 0.0003 Å
• c: 14.3507 ± 0.0004 Å
• α: 107.244 ± 0.002°
• β: 105.648 ± 0.002°
• γ: 93.2742 ± 0.0019°
• Cell volume: 1606 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes