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Information card for entry 7112030
Preview
| Coordinates | 7112030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H48 Ga N5 O6 S3 |
|---|---|
| Calculated formula | C33 H48 Ga N5 O6 S3 |
| SMILES | C1CN(S(=O)(=O)c2c(C)cc(cc2C)C)[Ga]2([NH3])N(CCN1CCN2S(=O)(=O)c1c(cc(cc1C)C)C)S(=O)(=O)c1c(cc(cc1C)C)C |
| Title of publication | Synthesis, structure and reactivity of FeII/III-NH3 complexes bearing a tripodal sulfonamido ligand |
| Authors of publication | Nathaniel S. Sickerman; Sonja M. Peterson; Joseph W. Ziller; A. S. Borovik |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2515 |
| a | 13.645 ± 0.0009 Å |
| b | 13.645 ± 0.0009 Å |
| c | 12.2882 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1981.4 ± 0.2 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.019 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0518 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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