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Information card for entry 7001385
Preview
| Coordinates | 7001385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Bis(2-(3,5-dimethylpyrazol-1-yl)ethyl)etherdinitratocopper |
|---|---|
| Chemical name | Bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]etherdinitratocopper |
| Formula | C14 H22 Cu N6 O7 |
| Calculated formula | C14 H22 Cu N6 O7 |
| SMILES | Cc1cc(C)n2CC[O]3[Cu]([n]12)([n]1c(C)cc(C)n1CC3)(ON(=O)=O)ON(=O)=O |
| Title of publication | Synthesis, characterization and potent superoxide dismutase-like activity of novel bis(pyrazole)–2,2′-bipyridyl mixed ligand copper(ii) complexes |
| Authors of publication | Potapov, Andrei S.; Nudnova, Evgenia A.; Domina, Galina A.; Kirpotina, Liliya N.; Quinn, Mark T.; Khlebnikov, Andrei I.; Schepetkin, Igor A. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 23 |
| Pages of publication | 4488 - 4498 |
| a | 17.4261 ± 0.0007 Å |
| b | 10.3459 ± 0.0003 Å |
| c | 11.1392 ± 0.0003 Å |
| α | 90° |
| β | 107.12 ± 0.001° |
| γ | 90° |
| Cell volume | 1919.29 ± 0.11 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0239 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0594 |
| Weighted residual factors for all reflections included in the refinement | 0.0602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7001385.cif |
| 179710 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/13. |
7001385.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001385.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001385.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001385.cif |
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