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Information card for entry 4063528
Preview
Coordinates | 4063528.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H34 Cl Ir N2 |
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Calculated formula | C31 H34 Cl Ir N2 |
SMILES | C1(N(c2c(cccc2)N1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)=[Ir]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl |
Title of publication | Flexible, Bowl-Shaped N-Heterocyclic Carbene Ligands: Substrate Specificity in Iridium-Catalyzed Ketone Hydrosilylation |
Authors of publication | Chianese, Anthony R.; Mo, Allen; Datta, Dibyadeep |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 2 |
Pages of publication | 465 - 472 |
a | 7.9618 ± 0.0018 Å |
b | 11.22 ± 0.003 Å |
c | 16.253 ± 0.004 Å |
α | 81.661 ± 0.003° |
β | 83.367 ± 0.003° |
γ | 70.772 ± 0.003° |
Cell volume | 1352.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0334 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.078 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation probe | x-ray |
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/4063528.html
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