Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123010
Preview
| Coordinates | 7123010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H78 N8 Ti2 |
|---|---|
| Calculated formula | C60 H78 N8 Ti2 |
| Title of publication | Conversion of dinitrogen to tris(trimethylsilyl)amine catalyzed by titanium triamido-amine complexes |
| Authors of publication | Okuda, Jun; Spaniol, Thomas Paul; Kögerler, Paul; Ghana, Priyabrata; van Kruechten, Franziska D.; van Leusen, Jan |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 12.7525 ± 0.001 Å |
| b | 14.9942 ± 0.0012 Å |
| c | 14.8095 ± 0.0011 Å |
| α | 90° |
| β | 112.243 ± 0.0011° |
| γ | 90° |
| Cell volume | 2621.1 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0439 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123010.cif |
| 213708 | 2019-02-20 | cif/ Adding structures of 7123010, 7123011 via cif-deposit CGI script. |
7123010.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.