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Information card for entry 4075381
Preview
Coordinates | 4075381.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H24 Cl2 O Ti |
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Calculated formula | C32 H24 Cl2 O Ti |
SMILES | [Ti]1234(Cl)(Cl)(OC(C)C)[c]56[c]1([cH]2[c]13[c]45c2c(c3c1cccc3)cccc2)c1c(c2c6cccc2)cccc1 |
Title of publication | Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes |
Authors of publication | Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 16 |
Pages of publication | 3824 |
a | 12.9702 ± 0.0006 Å |
b | 10.6352 ± 0.0007 Å |
c | 18.6582 ± 0.0009 Å |
α | 90° |
β | 93.63 ± 0.006° |
γ | 90° |
Cell volume | 2568.6 ± 0.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0517 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0796 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
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/4075381.html
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Users of the data should acknowledge the original authors of the
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