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Information card for entry 2204511
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| Coordinates | 2204511.cif |
|---|---|
| Structure factors | 2204511.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triaquaformatobis(4-formyl-2-methoxyphenolato)gadolinium(III) |
|---|---|
| Formula | C17 H21 Gd O11 |
| Calculated formula | C17 H21 Gd O11 |
| SMILES | C[O]1c2c(ccc(c2)C=O)O[Gd]21(OC=O)([OH2])([OH2])([O](C)c1c(ccc(c1)C=O)O2)[OH2] |
| Title of publication | Triaquaformatobis(4-formyl-2-methoxyphenolato)gadolinium(III) |
| Authors of publication | Gao, Shan; Huo, Li-Hua; Zhang, Xian-Fa; Zhao, Hui |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 11 |
| Pages of publication | m1738 - m1740 |
| a | 7.7843 ± 0.0016 Å |
| b | 21.977 ± 0.004 Å |
| c | 11.129 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1903.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.018 |
| Residual factor for significantly intense reflections | 0.017 |
| Weighted residual factors for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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