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Information card for entry 7214345
Preview
| Coordinates | 7214345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C80 H80 Ag2 Cl2 N16 O8 |
|---|---|
| Calculated formula | C80 H80 Ag2 Cl2 N16 O8 |
| SMILES | C1C[N]2(CC[N]3([Ag]452[N]1(CC[N]4(Cc1ccc(cc1)C#[N][Ag]124[N]6(CC[N]1(CC[N]2(CC[N]4(CC6)Cc1ccc(cc1)C#[N]5)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N)CC3)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands |
| Authors of publication | Hawes, Chris S.; Batten, Stuart R.; Turner, David R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 18 |
| Pages of publication | 3737 |
| a | 9.362 ± 0.0019 Å |
| b | 15.871 ± 0.003 Å |
| c | 25.586 ± 0.005 Å |
| α | 90° |
| β | 96.64 ± 0.03° |
| γ | 90° |
| Cell volume | 3776.2 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.7108 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7214345.cif |
| 180474 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/43. |
7214345.cif |
| 109291 | 2014-04-10 | cif/ Adding structures of 7214343, 7214344, 7214345, 7214346, 7214347, 7214348 via cif-deposit CGI script. |
7214345.cif |
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Users of the data should acknowledge the original authors of the
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