Information card for entry 7103803

Structure parameters

• Common name: triphosphenium tetraphenylborate
• Formula: C50 H44 B P3
• Calculated formula: C50 H44 B P3
• SMILES: [P+]1(P=P(CC1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Stabilised phosphorus(I) and arsenic(I) iodide: readily-synthesised reagents for low oxidation state main group chemistry
• Authors of publication: Ellis, Bobby D.; Carlesimo, Michelle; Macdonald, Charles L. B.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1946 - 1947
• a: 11.9875 ± 0.0006 Å
• b: 17.5408 ± 0.0006 Å
• c: 20.957 ± 0.0009 Å
• α: 90°
• β: 113.179 ± 0.015°
• γ: 90°
• Cell volume: 4050.9 ± 0.3 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 4
• 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: 0.1414
• Residual factor for significantly intense reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No