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Information card for entry 4087092
Preview
Coordinates | 4087092.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H45 N Ti |
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Calculated formula | C47 H45 N Ti |
SMILES | [Ti]123456789(N(C)c%10ccccc%10)([C]%10([CH]1=[CH]2[CH]3=[CH]4%10)=[C]5(c1ccc(cc1)C)c1ccc(cc1)C)[c]1([cH]6[cH]7[cH]8[cH]91)C(c1ccc(cc1)C)c1ccc(cc1)C |
Title of publication | Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines |
Authors of publication | Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 4 |
Pages of publication | 867 |
a | 8.6572 ± 0.0002 Å |
b | 18.3541 ± 0.0004 Å |
c | 23.1244 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3674.35 ± 0.14 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1057 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.081 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/4087092.html
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Users of the data should acknowledge the original authors of the
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