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Information card for entry 4135025
Preview
| Coordinates | 4135025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H84 N3 P2 Sc Si |
|---|---|
| Calculated formula | C58 H84 N3 P2 Sc Si |
| Title of publication | Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium. |
| Authors of publication | Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 13.215 ± 0.002 Å |
| b | 15.972 ± 0.003 Å |
| c | 16.231 ± 0.003 Å |
| α | 64.146 ± 0.006° |
| β | 84.121 ± 0.005° |
| γ | 66.561 ± 0.005° |
| Cell volume | 2818.1 ± 0.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0981 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1452 |
| Weighted residual factors for all reflections included in the refinement | 0.1652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252327 (current) | 2020-05-24 | cif/ Adding structures of 4135025 via cif-deposit CGI script. |
4135025.cif |
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Users of the data should acknowledge the original authors of the
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