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Information card for entry 7708093
Preview
| Coordinates | 7708093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H116 Al2 I2 N6 |
|---|---|
| Calculated formula | C92 H116 Al2 I2 N6 |
| SMILES | [Al@@]12(I)n3c4c(cc(cc4c4cc(cc(c34)[C@@H](N2c2c(cccc2C(C)C)C(C)C)[C@@H]2N([Al@]3(I)n4c5c2cc(cc5c2cc(cc(c42)C=[N]3c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C=[N]1c1c(cccc1C(C)C)C(C)C.[Al@]12(I)n3c4c(cc(cc4c4cc(cc(c34)[C@H](N2c2c(cccc2C(C)C)C(C)C)[C@H]2N([Al@@]3(I)n4c5c2cc(cc5c2cc(cc(c42)C=[N]3c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C=[N]1c1c(cccc1C(C)C)C(C)C |
| Title of publication | A bis(imino)carbazolate pincer ligand stabilized mononuclear gallium(I) compound: synthesis, characterization, and reactivity. |
| Authors of publication | Li, Hao; He, Yuhao; Liu, Chunmeng; Tan, Gengwen |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 36 |
| Pages of publication | 12674 - 12680 |
| a | 18.3541 ± 0.0017 Å |
| b | 21.0425 ± 0.0019 Å |
| c | 24.667 ± 0.002 Å |
| α | 90° |
| β | 108.628 ± 0.004° |
| γ | 90° |
| Cell volume | 9027.7 ± 1.4 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269724 (current) | 2021-10-06 | cif/ Updating files of 7708091, 7708092, 7708093, 7708094, 7708095, 7708096, 7708097 Original log message: Adding full bibliography for 7708091--7708097.cif. |
7708093.cif |
| 268146 | 2021-08-20 | cif/ Adding structures of 7708091, 7708092, 7708093, 7708094, 7708095, 7708096, 7708097 via cif-deposit CGI script. |
7708093.cif |
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Users of the data should acknowledge the original authors of the
structural data.