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Information card for entry 7712433
Preview
Coordinates | 7712433.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (CAAI)BBrNMe2 |
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Formula | C22 H37 B Br N3 |
Calculated formula | C22 H37 B Br N3 |
Title of publication | Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study |
Authors of publication | Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger |
Journal of publication | Dalton Transactions |
Year of publication | 2023 |
a | 18.0177 ± 0.0002 Å |
b | 9.0881 ± 0.0001 Å |
c | 14.5514 ± 0.0002 Å |
α | 90° |
β | 104.912 ± 0.001° |
γ | 90° |
Cell volume | 2302.5 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1227 |
Weighted residual factors for all reflections included in the refinement | 0.125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~2,3~ |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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