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Information card for entry 4073088
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Coordinates | 4073088.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | MesNCNIrBr2 |
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Chemical name | 1,3bismesitylcarbaldimino-2-phenyliridiumdibromide |
Formula | C28 H30 Br2 Ir N3 |
Calculated formula | C28 H30 Br2 Ir N3 |
SMILES | [Ir]12(Br)(Br)([N](=Cc3c2c(C=[N]1c1c(cc(cc1C)C)C)ccc3)c1c(cc(cc1C)C)C)[N]#CC |
Title of publication | Synthesis of Bis(imino)aryl Iridium Pincer Complexes and Demonstration of Catalytic Hydrogen-Transfer Activity |
Authors of publication | Oakley, Sarah H.; Coogan, Michael P.; Arthur, Richard J. |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 9 |
Pages of publication | 2285 |
a | 8.3368 ± 0.0002 Å |
b | 17.4467 ± 0.0005 Å |
c | 18.0171 ± 0.0006 Å |
α | 90° |
β | 92.337 ± 0.002° |
γ | 90° |
Cell volume | 2618.4 ± 0.13 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0846 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.131 |
Weighted residual factors for all reflections included in the refinement | 0.1439 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4073088.html
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