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Information card for entry 7718177
Preview
| Coordinates | 7718177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H38 N2 Ti2 |
|---|---|
| Calculated formula | C31 H38 N2 Ti2 |
| Title of publication | Isolation of the Parent Triplet Titanocene via NHC Stabilisation |
| Authors of publication | Meyer, Felix; Demeshko, Serhiy; Golz, Christopher; Townrow, Oliver; Fischer, Malte |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 10.1419 ± 0.001 Å |
| b | 23.0775 ± 0.0019 Å |
| c | 11.0969 ± 0.0012 Å |
| α | 90° |
| β | 99.494 ± 0.003° |
| γ | 90° |
| Cell volume | 2561.7 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.0662 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1408 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297927 (current) | 2025-03-01 | cif/ Adding structures of 7718175, 7718176, 7718177, 7718178 via cif-deposit CGI script. |
7718177.cif |
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Users of the data should acknowledge the original authors of the
structural data.