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Information card for entry 4313552
Preview
| Coordinates | 4313552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H38 Ag3 Cl3 N6 O12 |
|---|---|
| Calculated formula | C38 H38 Ag3 Cl3 N6 O12 |
| SMILES | c12cccc[n]2[Ag][n]2c(CC3Cc4cccc[n]4[Ag][n]4c(cccc4)CC(C1)Cc1cccc[n]1[Ag][n]1c(cccc1)C3)cccc2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Self-Assembly between Silver(I) and Di- and Tri-2-pyridines with Flexible Spacer: Formation of Discrete Metallocycle versus Coordination Polymer |
| Authors of publication | Dong Mok Shin; In Su Lee; Young-A Lee; Young Keun Chung |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 2977 - 2982 |
| a | 16.134 ± 0.0004 Å |
| b | 16.134 ± 0.0004 Å |
| c | 16.134 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4199.78 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 198 |
| Hermann-Mauguin space group symbol | P 21 3 |
| Hall space group symbol | P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0778 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1558 |
| Weighted residual factors for all reflections included in the refinement | 0.1881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4313552.cif |
| 179196 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/35. |
4313552.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313552.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313552.cif |
| 6621 | 2011-01-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4313552 via cif-deposit CGI script. |
4313552.cif |
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