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Information card for entry 4084763
Preview
Coordinates | 4084763.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H29 N Ti |
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Calculated formula | C31 H29 N Ti |
SMILES | [Ti]123456789([N](=C(C%10=[CH]9C=C(C=C%10)C)c9ccc(cc9)C)c9ccccc9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81 |
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 | 21.42 ± 0.005 Å |
b | 8.764 ± 0.002 Å |
c | 38.323 ± 0.009 Å |
α | 90° |
β | 97.464 ± 0.008° |
γ | 90° |
Cell volume | 7133 ± 3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.1848 |
Residual factor for significantly intense reflections | 0.0886 |
Weighted residual factors for significantly intense reflections | 0.189 |
Weighted residual factors for all reflections included in the refinement | 0.2318 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/4084763.html
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