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Information card for entry 7112146
Preview
| Coordinates | 7112146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H108 Ag4 Cd6 N4 O4 S16 |
|---|---|
| Calculated formula | C108 H108 Ag4 Cd6 N4 O4 S16 |
| SMILES | [Cd]123S4([Ag]56S7([Ag]8(S1([Ag]19S%10([Cd]7([S]([Cd]([S]8c7ccccc7)([S]1c1ccccc1)[O]=CN(C)C)c1ccccc1)[S]([Cd]([S]6c1ccccc1)([S]([Ag]4%10[S]([Cd]([S]3c1ccccc1)([S]9c1ccccc1)[O]=CN(C)C)c1ccccc1)c1ccccc1)[O]=CN(C)C)c1ccccc1)c1ccccc1)c1ccccc1)[S]([Cd]([S]2c1ccccc1)([S]5c1ccccc1)[O]=CN(C)C)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | A semiconducting microporous framework of Cd6Ag4(SPh)16 clusters interlinked using rigid and conjugated bipyridines |
| Authors of publication | Chao Xu; Niklas Hedin; Hua-Tian Shi; Qian-Feng Zhang |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3710 |
| a | 20.4501 ± 0.0004 Å |
| b | 16.8939 ± 0.0003 Å |
| c | 36.0972 ± 0.0008 Å |
| α | 90° |
| β | 97.659 ± 0.001° |
| γ | 90° |
| Cell volume | 12359.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1614 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1661 |
| Weighted residual factors for all reflections included in the refinement | 0.2002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180235 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21. |
7112146.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7112146.cif |
| 107447 | 2014-03-19 | cif/ Adding structures of 7112146, 7112147 via cif-deposit CGI script. |
7112146.cif |
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