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Information card for entry 7712422
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Coordinates | 7712422.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (CAAI)BBrMes |
---|---|
Formula | C29 H42 B Br N2 |
Calculated formula | C29 H42 B Br N2 |
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 | 10.0184 ± 0.0003 Å |
b | 16.7493 ± 0.0004 Å |
c | 17.4941 ± 0.0005 Å |
α | 90° |
β | 106.48 ± 0.003° |
γ | 90° |
Cell volume | 2814.94 ± 0.14 Å3 |
Cell temperature | 99.98 ± 0.12 K |
Ambient diffraction temperature | 99.98 ± 0.12 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 | 0.0549 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.0811 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~2,3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7712422.html
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