Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4089071
Preview
| Coordinates | 4089071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H90 B F15 Hf N3 |
|---|---|
| Calculated formula | C64 H90 B F15 Hf N3 |
| Title of publication | Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors |
| Authors of publication | Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 21 |
| Pages of publication | 3728 |
| a | 19.1878 ± 0.0006 Å |
| b | 19.1878 ± 0.0006 Å |
| c | 29.155 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9296 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237962 (current) | 2019-11-24 | cif/ Adding structures of 4089067, 4089068, 4089069, 4089070, 4089071 via cif-deposit CGI script. |
4089071.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.