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Information card for entry 4089069
Preview
| Coordinates | 4089069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72.5 H89 B F15 N3 Ti |
|---|---|
| Calculated formula | C72.4994 H88.9992 B F15 N3 Ti |
| 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 | 16.927 ± 0.0004 Å |
| b | 16.927 ± 0.0004 Å |
| c | 39.8167 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9880 ± 0.4 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 | 0.0722 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
4089069.cif |
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Users of the data should acknowledge the original authors of the
structural data.