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Information card for entry 4337291
Preview
| Coordinates | 4337291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H78 Ag3 F6 N30 O10 S2 |
|---|---|
| Calculated formula | C72 H78 Ag3 F6 N30 O10 S2 |
| SMILES | C(c1cccc2C=[N]3[Ag]4([n]12)[n]1c(C[OH]4)cccc1C=NN(C)c1cc(nc(C)n1)N(C)N=Cc1cccc2C=[N]4N(C)c5cc(nc(C)n5)N(C)N=Cc5cccc(CO)[n]5[Ag]5[n]6c(C=[N]5N(c5cc(N(C)[N]7=Cc8cccc(C=NN(c9cc(N3C)nc(C)n9)C)[n]8[Ag]47[n]12)nc(C)n5)C)cccc6CO)O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Metal-induced isomerization of a molecular strand containing contradictory dynamic coordination sites. |
| Authors of publication | Hutchinson, Daniel J.; James, Matthew P.; Hanton, Lyall R.; Moratti, Stephen C. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 2122 - 2132 |
| a | 15.906 ± 0.0004 Å |
| b | 20.1642 ± 0.0006 Å |
| c | 28.7161 ± 0.0012 Å |
| α | 90° |
| β | 98.747 ± 0.003° |
| γ | 90° |
| Cell volume | 9103 ± 0.5 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.11 |
| Residual factor for significantly intense reflections | 0.0957 |
| Weighted residual factors for significantly intense reflections | 0.2386 |
| Weighted residual factors for all reflections included in the refinement | 0.2472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4337291.cif |
| 179475 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72. |
4337291.cif |
| 106261 | 2014-03-15 | cif/ Adding structures of 4337287, 4337288, 4337289, 4337290, 4337291, 4337292 via cif-deposit CGI script. |
4337291.cif |
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