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Information card for entry 7205968
Preview
| Coordinates | 7205968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H40 Ag2 F12 I4 N12 O12 P2 |
|---|---|
| Calculated formula | C52 H40 Ag2 F12 I4 N12 O12 P2 |
| SMILES | [P](F)(F)(F)(F)(F)[F-].[Ag]123([n]4c(ncc(c4)[I][Ag]45([n]6cc(cnc6NC(c6ccc(cc6)C(=O)OC)=[O]4)[I]2)[n]2cc(I)cnc2NC(=[O]5)c2ccc(cc2)C(=O)OC)NC(=[O]1)c1ccc(cc1)C(=O)OC)[n]1cc(I)cnc1NC(=[O]3)c1ccc(cc1)C(=O)OC.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion |
| Authors of publication | Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 4121 |
| a | 11.6037 ± 0.0019 Å |
| b | 11.6541 ± 0.0016 Å |
| c | 13.053 ± 0.003 Å |
| α | 73.417 ± 0.013° |
| β | 77.433 ± 0.014° |
| γ | 72.924 ± 0.013° |
| Cell volume | 1599.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180390 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/59. |
7205968.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205968.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205968.cif |
| 21299 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7205962, 7205963, 7205964, 7205965, 7205966, 7205967, 7205968, 7205969 via cif-deposit CGI script. |
7205968.cif |
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Users of the data should acknowledge the original authors of the
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