Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7034071
Preview
| Coordinates | 7034071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ti(N[t-Bu]Ar)3(thf)][B(C6F5)4] |
|---|---|
| Formula | C68 H72 B F20 N3 O2 Ti |
| Calculated formula | C68 H72 B F20 N3 O2 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 | 13.3 ± 0.0011 Å |
| b | 13.593 ± 0.0011 Å |
| c | 19.2817 ± 0.0015 Å |
| α | 107.974 ± 0.001° |
| β | 95.319 ± 0.001° |
| γ | 95.813 ± 0.002° |
| Cell volume | 3270.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180046 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40. |
7034071.cif |
| 134971 | 2015-04-06 | cif/ Updating files of 7034069, 7034070, 7034071, 7034072, 7034073 Original log message: Adding full bibliography for 7034069--7034073.cif. |
7034071.cif |
| 131909 | 2015-02-17 | cif/ Adding structures of 7034069, 7034070, 7034071, 7034072, 7034073 via cif-deposit CGI script. |
7034071.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.