Information card for entry 4324167

Structure parameters

• Formula: C16 H36 B2 Cl4 P2
• Calculated formula: C16 H36 B2 Cl4 P2
• SMILES: C(C)(C)([P]1([B]([P]([B]1(Cl)Cl)(C(C)(C)C)C(C)(C)C)(Cl)Cl)C(C)(C)C)C
• Title of publication: Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2
• Authors of publication: Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 336 - 344
• a: 8.8289 ± 0.0003 Å
• b: 14.3784 ± 0.0005 Å
• c: 9.0538 ± 0.0003 Å
• α: 90°
• β: 92.991 ± 0.001°
• γ: 90°
• Cell volume: 1147.77 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No