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Information card for entry 4113893
Preview
| Coordinates | 4113893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H48 Ag2 F6 N8 O6 S2 |
|---|---|
| Calculated formula | C52 H48 Ag2 F6 N8 O6 S2 |
| SMILES | c1[n]2c3ccccc3n1Cc1c(cc(c(c1C)Cn1c[n]([Ag]([n]3cn(c4c3cccc4)Cc3c(cc(c(c3C)Cn3c[n]([Ag]2OS(=O)(=O)C(F)(F)F)c2ccccc32)C)C)OS(=O)(=O)C(F)(F)F)c2ccccc12)C)C |
| Title of publication | Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms |
| Authors of publication | Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 8595 - 8613 |
| a | 10.0439 ± 0.0012 Å |
| b | 11.5002 ± 0.0014 Å |
| c | 12.4933 ± 0.0016 Å |
| α | 63.602 ± 0.002° |
| β | 86.826 ± 0.002° |
| γ | 87.684 ± 0.002° |
| Cell volume | 1290.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0935 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4113893.cif |
| 178909 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/38. |
4113893.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113893.cif |
| 67167 | 2012-09-19 | cif/ Adding structures of 4113893 via cif-deposit CGI script. |
4113893.cif |
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