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Information card for entry 4346559
Preview
| Coordinates | 4346559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H51 Cl7 N4 O3 Ti |
|---|---|
| Calculated formula | C36 H51 Cl7 N4 O3 Ti |
| Title of publication | Rearrangement in a tripodal nitroxide ligand to modulate the reactivity of a Ti-F bond. |
| Authors of publication | Boreen, Michael A.; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 19 |
| Pages of publication | 9588 - 9593 |
| a | 12.5613 ± 0.0005 Å |
| b | 15.1062 ± 0.0005 Å |
| c | 22.4107 ± 0.0008 Å |
| α | 90° |
| β | 100.378 ± 0.002° |
| γ | 90° |
| Cell volume | 4182.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231837 (current) | 2019-11-23 | cif/ Adding structures of 4346559 via cif-deposit CGI script. |
4346559.cif |
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