Information card for entry 4076764

Structure parameters

• Common name: compound 5
• Chemical name: (trimethylsilyl)(triphenylphosphonio)methanide- 3,5-dimethylborabenzene
• Formula: C32.5 H38 B P Si
• Calculated formula: C32.5 H38 B P Si
• Title of publication: Borabenzene Adducts of Ylidic Lewis Bases. Syntheses and Structures of 3,5-Me2C5H3BCH2PPh3, 3,5-Me2C5H3BCH(SiMe3)PPh3, and C5H5BN(Ph)PPh31
• Authors of publication: Zheng, Xiaolai; Wang, Bing; Herberich, Gerhard E.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1949
• a: 9.141 ± 0.002 Å
• b: 10.733 ± 0.001 Å
• c: 14.701 ± 0.002 Å
• α: 84.888 ± 0.008°
• β: 82.61 ± 0.01°
• γ: 81.4 ± 0.01°
• Cell volume: 1410.7 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No