Information card for entry 7012441

Structure parameters

• Formula: C6 H9 B I3 P
• Calculated formula: C6 H9 B I3 P
• SMILES: I[B](I)(I)[P](C=C)(C=C)C=C
• 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: 7.25 ± 0.0001 Å
• b: 11.807 ± 0.0002 Å
• c: 15.156 ± 0.0003 Å
• α: 90°
• β: 94.673 ± 0.0008°
• γ: 90°
• Cell volume: 1293.05 ± 0.04 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No