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Information card for entry 7034073
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| Coordinates | 7034073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Ar[t-Bu]N)3Ti(O-n-Bu) |
|---|---|
| Formula | C40 H63 N3 O Ti |
| Calculated formula | C40.008 H63.018 N3 O Ti0.33 |
| 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 | 19.7299 ± 0.0009 Å |
| b | 19.7299 ± 0.0009 Å |
| c | 19.7299 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7680.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7034073.cif |
| 134971 | 2015-04-06 | cif/ Updating files of 7034069, 7034070, 7034071, 7034072, 7034073 Original log message: Adding full bibliography for 7034069--7034073.cif. |
7034073.cif |
| 131909 | 2015-02-17 | cif/ Adding structures of 7034069, 7034070, 7034071, 7034072, 7034073 via cif-deposit CGI script. |
7034073.cif |
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Users of the data should acknowledge the original authors of the
structural data.