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Information card for entry 4084175
Preview
Coordinates | 4084175.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H24 Al B Cl4 N2 O2 |
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Calculated formula | C17 H24 Al B Cl4 N2 O2 |
SMILES | [Al](Cl)(Cl)(Cl)[Cl-].B1(Oc2c(cccc2)O1)c1n(c(c(C)[n+]1C(C)C)C)C(C)C |
Title of publication | Synthesis of N-Heterocyclic Carbene Stabilized Catecholatoborenium Cations by Ligand Substitution |
Authors of publication | Do, Dinh Cao Huan; Muthaiah, Senthilkumar; Ganguly, Rakesh; Vidović, Dragoslav |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 16 |
Pages of publication | 4165 |
a | 10.147 ± 0.003 Å |
b | 14.347 ± 0.004 Å |
c | 15.383 ± 0.005 Å |
α | 90° |
β | 93.387 ± 0.012° |
γ | 90° |
Cell volume | 2235.5 ± 1.2 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0538 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
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/4084175.html
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