Information card for entry 4336957

Structure parameters

• Formula: C22 H31 B Br2 Cl2 N4 Si2
• Calculated formula: C21 H29 B Br2 N4 Si2
• SMILES: [Br-].Br[B]1(N([Si](C)(C)C)[Si](C)(C)C)[n]2ccccc2c2[n]1c(ccc2)c1ncccc1
• Title of publication: Synthesis and Characterization of Terpyridine-Supported Boron Cations: Evidence for Pentacoordination at Boron
• Authors of publication: Gregory P. McGovern; Di Zhu; Adelia J. A. Aquino; Dragoslav Vidović; Michael Findlater
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13865 - 13868
• a: 8.8095 ± 0.0018 Å
• b: 10.143 ± 0.002 Å
• c: 19.025 ± 0.004 Å
• α: 102.28 ± 0.03°
• β: 102.24 ± 0.03°
• γ: 91.75 ± 0.03°
• Cell volume: 1618.2 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1882
• Residual factor for significantly intense reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.2829
• Weighted residual factors for all reflections included in the refinement: 0.3031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No