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Information card for entry 1505757
Preview
| Coordinates | 1505757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H88 Cu3 F36 N14 O44 S12 |
|---|---|
| Calculated formula | C52 H88 Cu3 F36 N14 O44 S12 |
| SMILES | [Cu](OC(=O)C[N+](C)(C)C)(OC(=O)C[N+](C)(C)C)(OC(=O)C[N+](C)(C)C)OC(=O)C[N+](C)(C)C.[Cu]1234([Cu]([O]=C(O3)C[N+](C)(C)C)(OC(=[O]4)C[N+](C)(C)C)([OH2])([O]=C(O1)C[N+](C)(C)C)OC(=[O]2)C[N+](C)(C)C)[OH2].S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.O.O |
| Title of publication | Task-specific ionic liquid for solubilizing metal oxides. |
| Authors of publication | Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2006 |
| Journal volume | 110 |
| Journal issue | 42 |
| Pages of publication | 20978 - 20992 |
| a | 15.2183 ± 0.0002 Å |
| b | 26.1383 ± 0.0003 Å |
| c | 15.6211 ± 0.0002 Å |
| α | 90° |
| β | 117.554 ± 0.001° |
| γ | 90° |
| Cell volume | 5508.97 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.063 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1576 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505757.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505757.cif |
| 47706 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505757 via cif-deposit CGI script. |
1505757.cif |
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