Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7709434
Preview
| Coordinates | 7709434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H50 N2 Ti |
|---|---|
| Calculated formula | C38 H50 N2 Ti |
| Title of publication | Reaction of a Bis(pentafulvene)titanium Complex with an N-Heterocyclic Olefin: C–H-Activation Leads to Resonance Between a Titanium Vinyl and Titanium Alkylidene Complex |
| Authors of publication | Fischer, Malte; Roy, Matthew; Hüller, Sascha; Schmidtmann, Marc; Beckhaus, Ruediger |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 14.7397 ± 0.0007 Å |
| b | 18.1959 ± 0.0009 Å |
| c | 22.9425 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6153.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272849 (current) | 2022-02-08 | cif/ Adding structures of 7709434 via cif-deposit CGI script. |
7709434.cif |
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.