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Information card for entry 4081782
Preview
Coordinates | 4081782.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H16 Al B Cl6 N2 |
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Calculated formula | C9 H16 Al B Cl6 N2 |
SMILES | [Al](Cl)(Cl)(Cl)[Cl-].[B](=C1N(C=CN1C(C)C)C(C)C)(Cl)Cl |
Title of publication | Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations |
Authors of publication | Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 22 |
Pages of publication | 6718 |
a | 9.2582 ± 0.0007 Å |
b | 14.6884 ± 0.0012 Å |
c | 13.6933 ± 0.0011 Å |
α | 90° |
β | 96.359 ± 0.002° |
γ | 90° |
Cell volume | 1850.7 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0639 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0915 |
Weighted residual factors for all reflections included in the refinement | 0.1207 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081782.html
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Users of the data should acknowledge the original authors of the
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