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Information card for entry 7024427
Preview
| Coordinates | 7024427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DKH13A |
|---|---|
| Formula | C70.5 H105 Cl5 Cu2 N8 O8 |
| Calculated formula | C68 H100 Cu2 N8 O8 |
| SMILES | [Cu]123([N](=Cc4c([O]1[Cu]15([O]2c2c(cc(cc2CN2CCCCC2)C(C)(C)C)C=[N]1O)Oc1c(cc(cc1CN1CCCCC1)C(C)(C)C)C=[N]5O)c(cc(c4)C(C)(C)C)CN1CCCCC1)O)Oc1c(cc(cc1CN1CCCCC1)C(C)(C)C)C=[N]3O |
| Title of publication | Cation and anion selectivity of zwitterionic salicylaldoxime metal salt extractants. |
| Authors of publication | Forgan, Ross S.; Davidson, James E.; Fabbiani, Francesca P. A.; Galbraith, Stuart G.; Henderson, David K.; Moggach, Stephen A.; Parsons, Simon; Tasker, Peter A.; White, Fraser J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 7 |
| Pages of publication | 1763 - 1770 |
| a | 14.0562 ± 0.0007 Å |
| b | 23.603 ± 0.0012 Å |
| c | 12.4451 ± 0.0006 Å |
| α | 90° |
| β | 106.93 ± 0.001° |
| γ | 90° |
| Cell volume | 3950 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7024427.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7024427.cif |
| 92484 | 2014-01-12 | cif/ Adding structures of 7024427, 7024428, 7024429, 7024430, 7024431 via cif-deposit CGI script. |
7024427.cif |
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Users of the data should acknowledge the original authors of the
structural data.