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Information card for entry 7005682
Preview
| Coordinates | 7005682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H19 Cl Cu N4 O3 |
|---|---|
| Calculated formula | C18 H19 Cl Cu N4 O3 |
| SMILES | [Cu]123(Cl)[n]4c(cccc4C(=O)O1)c1[n]2c(ccc1)Cn1[n]3c(cc1C)C.OC |
| Title of publication | Structure and DNA cleavage properties of two copper(II) complexes of the pyridine-pyrazole-containing ligands mbpzbpy and Hmpzbpya. |
| Authors of publication | Maheswari, Palanisamy Uma; Lappalainen, Kristian; Sfregola, Michael; Barends, Sharief; Gamez, Patrick; Turpeinen, Urho; Mutikainen, Ilpo; van Wezel, Gilles P.; Reedijk, Jan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 33 |
| Pages of publication | 3676 - 3683 |
| a | 7.913 ± 0.0016 Å |
| b | 11.833 ± 0.002 Å |
| c | 11.894 ± 0.002 Å |
| α | 115.45 ± 0.03° |
| β | 102.53 ± 0.03° |
| γ | 102.35 ± 0.03° |
| Cell volume | 920.2 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0922 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1713 |
| Weighted residual factors for all reflections included in the refinement | 0.193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179760 (current) | 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 7/00/56. |
7005682.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005682.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005682.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005682.cif |
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Users of the data should acknowledge the original authors of the
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