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Information card for entry 7120348
Preview
Coordinates | 7120348.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H48 Cl2 F6 Ir N6 O0 P |
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Calculated formula | C42 H48 Cl2 F6 Ir N6 P |
SMILES | [P](F)(F)(F)(F)(F)[F-].[Ir]12([N]#CC)([N]#CC)(c3cc(ccc3N3C=1N1C=C(C=CC1=C3)C(C)(C)C)C)c1cc(ccc1N1C=2N2C=C(C=CC2=C1)C(C)(C)C)C.ClCCCl |
Title of publication | An N-Heterocyclic Carbene Iridium Catalyst with Metal-Centered Chirality for Enantioselective Transfer Hydrogenation of Imines |
Authors of publication | Li, Yanjun; Lei, Meng; Yuan, Wei; Meggers, E.; Gong, Lei |
Journal of publication | Chem. Commun. |
Year of publication | 2017 |
a | 9.2337 ± 0.0017 Å |
b | 28.914 ± 0.005 Å |
c | 16.672 ± 0.003 Å |
α | 90° |
β | 102.31 ± 0.003° |
γ | 90° |
Cell volume | 4348.8 ± 1.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0364 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7120348.html
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