Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4075559
Preview
Coordinates | 4075559.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H43 Cl O2 Si Ti |
---|---|
Calculated formula | C31 H43 Cl O2 Si Ti |
SMILES | [Ti]12345(Cl)(Oc6c(cc(cc6C(C)(C)C)C)Cc6c(O1)c(cc(c6)C)C(C)(C)C)[c]1([cH]2[cH]3[cH]4[cH]51)[Si](C)(C)C |
Title of publication | Monocyclopentadienyl Chloro Bisphenoxo Ti(η5-C5H4SiMe2Cl)(η2-MBMP)Cl Derivative: Ti−Cl, Ti−O, and Si−Cl Reactivity. Crystal Structure of Ti(η5-C5H4SiMe3)(η2-MBMP)Cl and Ti(η5-C5H4SiMe2-η1-MBMP)(CH2Ph)2 |
Authors of publication | González-Maupoey, Marta; Cuenca, Tomás; Herdtweck, Eberhardt |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 18 |
Pages of publication | 4358 |
a | 12.7806 ± 0.0001 Å |
b | 14.2076 ± 0.0001 Å |
c | 17.5955 ± 0.0001 Å |
α | 90° |
β | 108.038 ± 0.0003° |
γ | 90° |
Cell volume | 3037.98 ± 0.04 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 6 |
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 | 0.0388 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0739 |
Weighted residual factors for all reflections included in the refinement | 0.0773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4075559.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.