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Information card for entry 7718176
Preview
| Coordinates | 7718176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H42 N2 Si2 Zr |
|---|---|
| Calculated formula | C26 H42 N2 Si2 Zr |
| 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 | 10.0604 ± 0.0005 Å |
| b | 12.2719 ± 0.0006 Å |
| c | 12.7261 ± 0.0005 Å |
| α | 68.935 ± 0.002° |
| β | 70.603 ± 0.002° |
| γ | 86.636 ± 0.001° |
| Cell volume | 1379.66 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0171 |
| Residual factor for significantly intense reflections | 0.0167 |
| Weighted residual factors for significantly intense reflections | 0.0475 |
| Weighted residual factors for all reflections included in the refinement | 0.0478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
7718176.cif |
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Users of the data should acknowledge the original authors of the
structural data.