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Information card for entry 4102805
Preview
| Coordinates | 4102805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H33 Cl3 Cu2 N2 O4 P2 |
|---|---|
| Calculated formula | C33 H33 Cl3 Cu2 N2 O4 P2 |
| SMILES | [Cu]1234[Cu]([N](=[P@@]([C@@H]1C)(c1c2cccc1)c1ccccc1)C(=O)OC)[N](=[P@@]([C@@H]3C)(c1c4cccc1)c1ccccc1)C(=O)OC.C(Cl)(Cl)Cl |
| Title of publication | Synthesis and Characterization of a Coupled Binuclear CuI/CuIII Complex |
| Authors of publication | Jesús García-López; Víctor Yañez-Rodríguez; Laura Roces; Santiago García-Granda; Ana Martínez; Alfredo Guevara-García; German R. Castro; Félix Jiménez-Villacorta; María J. Iglesias; Fernando López Ortiz |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 10665 - 10667 |
| a | 12.7699 ± 0.0001 Å |
| b | 13.8445 ± 0.0001 Å |
| c | 19.5705 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3459.93 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4102805.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102805.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102805.cif |
| 25724 | 2011-09-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4102805 via cif-deposit CGI script. |
4102805.cif |
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