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Information card for entry 4070185
Preview
Coordinates | 4070185.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H84 N8 Ti2 |
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Calculated formula | C48 H72 N8 Ti2 |
SMILES | C1(=N\c2cc(cc(c2)C)C)/CCCN1[Ti]1234567([c]8([c]1([c]2([c]3([c]48C)C)C)C)C)N(N(C)C)[Ti]12347([c]7([c]4([c]3([c]2([c]17C)C)C)C)C)(N5[N]6(C)C)N1/C(=N/c2cc(cc(c2)C)C)CCC1 |
Title of publication | Titanium Hydrazinediido Half-Sandwich Complexes: Highly Active Catalysts for the Hydrohydrazination of Terminal Alkynes at Ambient Temperature |
Authors of publication | Weitershaus, Katharina; Wadepohl, Hubert; Gade, Lutz H. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 16 |
Pages of publication | 4898 |
a | 10.5635 ± 0.0013 Å |
b | 16.591 ± 0.002 Å |
c | 29.458 ± 0.004 Å |
α | 90° |
β | 96.168 ± 0.002° |
γ | 90° |
Cell volume | 5132.9 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0828 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.1222 |
Weighted residual factors for all reflections included in the refinement | 0.1383 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/4070185.html
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Users of the data should acknowledge the original authors of the
structural data.