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Information card for entry 4086894
Preview
| Coordinates | 4086894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H97 N O2 Si4 Ti2 |
|---|---|
| Calculated formula | C59 H97 N O2 Si4 Ti2 |
| Title of publication | Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds |
| Authors of publication | Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| a | 13.098 ± 0.0009 Å |
| b | 13.2073 ± 0.0009 Å |
| c | 18.7778 ± 0.0013 Å |
| α | 75.122 ± 0.002° |
| β | 77.239 ± 0.002° |
| γ | 79.896 ± 0.002° |
| Cell volume | 3037.5 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1408 |
| Residual factor for significantly intense reflections | 0.0857 |
| Weighted residual factors for significantly intense reflections | 0.2157 |
| Weighted residual factors for all reflections included in the refinement | 0.2416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189683 (current) | 2017-01-01 | cif/ Adding structures of 4086892, 4086893, 4086894, 4086895, 4086896, 4086897, 4086898 via cif-deposit CGI script. |
4086894.cif |
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Users of the data should acknowledge the original authors of the
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