Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072234
Preview
Coordinates | 4072234.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H41 Cl Si Ti |
---|---|
Calculated formula | C26 H41 Cl Si Ti |
SMILES | [Ti]123456789(Cl)([c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)CC(=C9[Si](C)(C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C |
Title of publication | Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene |
Authors of publication | Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 21 |
Pages of publication | 5532 |
a | 10.4972 ± 0.0001 Å |
b | 11.3834 ± 0.0002 Å |
c | 20.923 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2500.17 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.03 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.071 |
Weighted residual factors for all reflections included in the refinement | 0.0725 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4072234.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.