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Information card for entry 4084762
Preview
Coordinates | 4084762.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H23 N Ti |
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Calculated formula | C24 H23 N Ti |
SMILES | [Ti]123456789([N](=[CH]1c1ccc(cc1)C)c1ccccc1)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91 |
Title of publication | Aromatic Imines in the Titanocene Coordination Sphere—Titanaaziridine vs 1-Aza-2-titanacyclopent-4-ene Structures |
Authors of publication | Loose, Florian; Plettenberg, Inka; Haase, Detlev; Saak, Wolfgang; Schmidtmann, Marc; Schäfer, André; Müller, Thomas; Beckhaus, Rüdiger |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 23 |
Pages of publication | 6785 |
a | 10.9609 ± 0.0002 Å |
b | 16.6816 ± 0.0003 Å |
c | 20.7506 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3794.15 ± 0.12 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0706 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0883 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4084762.html
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Users of the data should acknowledge the original authors of the
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