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Information card for entry 1546744
Preview
| Coordinates | 1546744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H22 Cl2 N O2 S2 Sc |
|---|---|
| Calculated formula | C11 H22 Cl2 N O2 S2 Sc |
| SMILES | [Sc]1([S]=C(S1)N(C)C)(Cl)(Cl)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes |
| Authors of publication | Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 7.6252 ± 0.0003 Å |
| b | 17.9614 ± 0.0005 Å |
| c | 12.5733 ± 0.0004 Å |
| α | 90° |
| β | 101.302 ± 0.003° |
| γ | 90° |
| Cell volume | 1688.64 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0333 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199417 (current) | 2017-08-01 | cif/ Adding structures of 1546743, 1546744, 1546745, 1546746 via cif-deposit CGI script. |
1546744.cif |
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Users of the data should acknowledge the original authors of the
structural data.