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Information card for entry 7052020
Preview
| Coordinates | 7052020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H22 Cl4 Cu2 N6 O4 |
|---|---|
| Calculated formula | C32 H22 Cl4 Cu2 N6 O4 |
| SMILES | c1cccc2[n]1[Cu]1([n]3c(c4c(n23)c2ccccc2OC4=O)C)(Cl)[Cl][Cu]2([n]3c(c4c(n3c3cccc[n]23)c2ccccc2OC4=O)C)(Cl)[Cl]1 |
| Title of publication | Synthesis, crystal structure, theoretical calculation and cytotoxic effect of new Pt(ii), Pd(ii) and Cu(ii) complexes with pyridine-pyrazoles derivatives |
| Authors of publication | Budzisz, Elzbieta; Lorenz, Ingo-Peter; Mayer, Peter; Paneth, Piotr; Szatkowski, Lukasz; Krajewska, Urszula; Rozalski, Marek; Miernicka, Magdalena |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2008 |
| Journal volume | 32 |
| Journal issue | 12 |
| Pages of publication | 2238 |
| a | 8.4188 ± 0.0004 Å |
| b | 9.2762 ± 0.0004 Å |
| c | 10.6495 ± 0.0005 Å |
| α | 83.019 ± 0.002° |
| β | 87.266 ± 0.002° |
| γ | 70.3459 ± 0.0016° |
| Cell volume | 777.39 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0589 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180074 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/20. |
7052020.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052020.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052020.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7052020.cif |
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