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Information card for entry 4065662
Preview
Coordinates | 4065662.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H54 N2 Ti |
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Calculated formula | C44 H54 N2 Ti |
SMILES | [Ti]12345678(Nc9ccc(cc9)C)(Nc9ccc(cc9)C)([c]9([cH]4[cH]3[cH]2[cH]19)C1C2CC3CC1CC(C2)C3)[c]1([cH]5[cH]6[cH]7[cH]81)C1C2CC3CC1CC(C3)C2 |
Title of publication | Bis(η5:η1-pentafulvene)titanium Complexes: Catalysts for Intramolecular Alkene Hydroamination and Reagents for Selective Reactions with N−H Acidic Substrates† |
Authors of publication | Janssen, Thomas; Severin, René; Diekmann, Mira; Friedemann, Marion; Haase, Detlev; Saak, Wolfgang; Doye, Sven; Beckhaus, Rüdiger |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 7 |
Pages of publication | 1806 |
a | 11.797 ± 0.0006 Å |
b | 13.6327 ± 0.0005 Å |
c | 22.8239 ± 0.0012 Å |
α | 90° |
β | 97.93 ± 0.006° |
γ | 90° |
Cell volume | 3635.6 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.0584 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.063 |
Weighted residual factors for all reflections included in the refinement | 0.067 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.799 |
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/4065662.html
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