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Information card for entry 4064349
Preview
Coordinates | 4064349.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 6-KetoMes-IrCODCl |
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Formula | C32 H40 Cl Ir N2 O2 |
Calculated formula | C32 H40 Cl Ir N2 O2 |
SMILES | [Ir]123(=C4N(C(=O)C(C(=O)N4c4c(cc(cc4C)C)C)(C)C)c4c(cc(cc4C)C)C)(Cl)[CH]4CC[CH]1=[CH]2CC[CH]3=4 |
Title of publication | Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes |
Authors of publication | Moerdyk, Jonathan P.; Bielawski, Christopher W. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 8 |
Pages of publication | 2278 |
a | 11.7529 ± 0.0001 Å |
b | 9.4309 ± 0.0001 Å |
c | 26.6821 ± 0.0002 Å |
α | 90° |
β | 98.004 ± 0.001° |
γ | 90° |
Cell volume | 2928.64 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0162 |
Residual factor for significantly intense reflections | 0.0155 |
Weighted residual factors for significantly intense reflections | 0.0426 |
Weighted residual factors for all reflections included in the refinement | 0.0431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/4064349.html
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Users of the data should acknowledge the original authors of the
structural data.