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Information card for entry 4069781
Preview
Coordinates | 4069781.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H56 N4 Zr |
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Calculated formula | C40 H56 N4 Zr |
SMILES | [Zr]12345678([c]9([cH]1[cH]2[cH]3[cH]49)/C=N/c1c(cccc1C(C)C)C(C)C)(N(C)C)([c]1([cH]5[cH]6[cH]7[cH]81)/C=N/c1c(cccc1C(C)C)C(C)C)N(C)C |
Title of publication | Functional Group Chemistry at the Group 4 Bent Metallocene Frameworks: Formation and “Metal-Free” Catalytic Hydrogenation of Bis(imino-Cp)zirconium Complexes |
Authors of publication | Axenov, Kirill V.; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 17 |
Pages of publication | 5148 |
a | 8.8885 ± 0.0001 Å |
b | 13.7423 ± 0.0002 Å |
c | 16.0742 ± 0.0003 Å |
α | 75.012 ± 0.001° |
β | 76.547 ± 0.001° |
γ | 89.272 ± 0.002° |
Cell volume | 1842.25 ± 0.05 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.0862 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4069781.html
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Users of the data should acknowledge the original authors of the
structural data.