Information card for entry 1549794

Structure parameters

• Common name: Bis(triphenylphosphine)iminium tetrafluoridoborate chloroform monosolvate
• Chemical name: Bis(triphenyl-λ^5^-phosphanylidene)azanium tetrafluoridoborate chloroform monosolvate
• Formula: C37 H31 B Cl3 F4 N P2
• Calculated formula: C37 H31 B Cl3 F4 N P2
• SMILES: ClC(Cl)Cl.[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Bis(triphenylphosphine)iminium tetrafluoroborate chloroform monosolvate
• Authors of publication: Manandhar, Rachana; Rath, Nigam P.; Jones, Myron W.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 8
• Pages of publication: x181108
• a: 9.6306 ± 0.0007 Å
• b: 10.813 ± 0.0008 Å
• c: 17.0381 ± 0.0014 Å
• α: 91.826 ± 0.005°
• β: 95.619 ± 0.004°
• γ: 90.734 ± 0.004°
• Cell volume: 1764.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1034
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes