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Information card for entry 7034072
Preview
| Coordinates | 7034072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ti(N[t-Bu]Ar)3][B(C6F5)4] |
|---|---|
| Formula | C63 H59.9 B F20.22 N3 Ti |
| Calculated formula | C63 H59.9 B F20.22 N3 Ti |
| Title of publication | The titanium tris-anilide cation [Ti(N[(t)Bu]Ar)3](+) stabilized as its perfluoro-tetra-phenylborate salt: structural characterization and synthesis in connection with redox activity of 4,4'-bipyridine dititanium complexes. |
| Authors of publication | Spinney, Heather A.; Clough, Christopher R.; Cummins, Christopher C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 15 |
| Pages of publication | 6784 - 6796 |
| a | 16.8241 ± 0.0015 Å |
| b | 20.9559 ± 0.0019 Å |
| c | 17.3595 ± 0.0015 Å |
| α | 90° |
| β | 99.905 ± 0.002° |
| γ | 90° |
| Cell volume | 6029.1 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7034072.cif |
| 134971 | 2015-04-06 | cif/ Updating files of 7034069, 7034070, 7034071, 7034072, 7034073 Original log message: Adding full bibliography for 7034069--7034073.cif. |
7034072.cif |
| 131909 | 2015-02-17 | cif/ Adding structures of 7034069, 7034070, 7034071, 7034072, 7034073 via cif-deposit CGI script. |
7034072.cif |
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Users of the data should acknowledge the original authors of the
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