Information card for entry 7012442

Structure parameters

• Formula: C6 H15 B F3 P
• Calculated formula: C6 H15 B F3 P
• SMILES: [P](CC)(CC)(CC)[B](F)(F)F
• Title of publication: Trivinylphosphineborane (CH2CH)3PBH3 and related compounds
• Authors of publication: Monkowius, Uwe; Nogai, Stefan; Schmidbaur, Hubert
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 987
• a: 6.424 ± 0.0001 Å
• b: 9.2453 ± 0.0002 Å
• c: 16.2097 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 962.72 ± 0.03 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No