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Information card for entry 4308540
Preview
| Coordinates | 4308540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H44 Ag2 N10 O14 |
|---|---|
| Calculated formula | C40 H44 Ag2 N10 O14 |
| SMILES | [Ag]12[n]3ccc(cc3)N(C)C(=O)c3cc(C(=O)N(c4cc[n]([Ag]([n]5ccc(cc5)N(C)C(=O)c5cc(C(=O)N(c6cc[n]1cc6)C)ccc5)ON(=[O]2)=O)cc4)C)ccc3.N(=O)(=O)[O-].O.O.O.O |
| Title of publication | Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding |
| Authors of publication | Nancy L. S. Yue; Michael C. Jennings; Richard J. Puddephatt |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 1125 - 1131 |
| a | 14.286 ± 0.0002 Å |
| b | 26.2471 ± 0.0004 Å |
| c | 11.5842 ± 0.0002 Å |
| α | 90° |
| β | 103.271 ± 0.001° |
| γ | 90° |
| Cell volume | 4227.68 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.066 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.