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Information card for entry 4065105
Preview
Coordinates | 4065105.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | BzRuCl(m-MeNacNacMe) |
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Formula | C27 H31 Cl N2 Ru |
Calculated formula | C27 H31 Cl N2 Ru |
SMILES | [Ru]123456(Cl)(N(c7cc(C)cc(C)c7)C(=CC(C)=[N]1c1cc(C)cc(C)c1)C)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61 |
Title of publication | Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions |
Authors of publication | Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 20 |
Pages of publication | 5381 |
a | 12.826 ± 0.0005 Å |
b | 7.7523 ± 0.0003 Å |
c | 23.5141 ± 0.0008 Å |
α | 90° |
β | 92.823 ± 0.003° |
γ | 90° |
Cell volume | 2335.19 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0385 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0593 |
Weighted residual factors for all reflections included in the refinement | 0.0624 |
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/4065105.html
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Users of the data should acknowledge the original authors of the
structural data.