Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7047564
Preview
| Coordinates | 7047564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5 |
|---|---|
| Chemical name | 5 |
| Formula | C59.5 H103 N Si4 Ti2 |
| Calculated formula | C59.5 H103 N Si4 Ti2 |
| Title of publication | Bis(pentalene)dititanium chemistry: C-H, C-X and H-H bond activation. |
| Authors of publication | Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 41 |
| Pages of publication | 14531 - 14539 |
| a | 12.7393 ± 0.0006 Å |
| b | 12.9078 ± 0.0008 Å |
| c | 21.1087 ± 0.0011 Å |
| α | 77.484 ± 0.005° |
| β | 87.578 ± 0.004° |
| γ | 61.137 ± 0.005° |
| Cell volume | 2959.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0652 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.1577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229349 (current) | 2019-11-17 | cif/ Updating files of 7047563, 7047564, 7047565, 7047566, 7047567 Original log message: Adding full bibliography for 7047563--7047567.cif. |
7047564.cif |
| 211034 | 2018-09-18 | cif/ Adding structures of 7047563, 7047564, 7047565, 7047566, 7047567 via cif-deposit CGI script. |
7047564.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.