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Information card for entry 7128445
Preview
| Coordinates | 7128445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [(Cp*)Sc(OMe)]3(CHCNtBu) |
|---|---|
| Formula | C39 H64 N O3 Sc3 |
| Calculated formula | C39 H64 N O3 Sc3 |
| SMILES | C12[C]345=[N](C(C)(C)C)[Sc]6789%103([c]3([c]9([c]8([c]7([c]63C)C)C)C)C)[O](C)[Sc]367814([c]1([c]3([c]6([c]7([c]81C)C)C)C)C)[O](C)[Sc]134625([c]2([c]1([c]3([c]4([c]62C)C)C)C)C)[O]%10C |
| Title of publication | Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands. |
| Authors of publication | Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 52 |
| Pages of publication | 6436 - 6439 |
| a | 12.17 ± 0.0006 Å |
| b | 19.2637 ± 0.0009 Å |
| c | 19.9851 ± 0.001 Å |
| α | 63.681 ± 0.002° |
| β | 77.428 ± 0.002° |
| γ | 76.109 ± 0.002° |
| Cell volume | 4043.3 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295359 (current) | 2024-10-08 | cif/7: Fixing Z values and formulae |
7128445.cif |
| 267011 | 2021-07-05 | cif/ Updating files of 7128441, 7128442, 7128443, 7128444, 7128445, 7128446, 7128447, 7128448 Original log message: Adding full bibliography for 7128441--7128448.cif. |
7128445.cif |
| 266233 | 2021-06-08 | cif/ Adding structures of 7128441, 7128442, 7128443, 7128444, 7128445, 7128446, 7128447, 7128448 via cif-deposit CGI script. |
7128445.cif |
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