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Information card for entry 4311965
Preview
| Coordinates | 4311965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-allyl-1-alphaketoglutaric acid thiosemicarbazone |
|---|---|
| Formula | C9 H13 N3 O4 S |
| Calculated formula | C9 H10 N3 O4 S |
| Title of publication | Copper(II) Complexes with Substituted Thiosemicarbazones of α-Ketoglutaric Acid: Synthesis, X-ray Structures, DNA Binding Studies, and Nuclease and Biological Activity |
| Authors of publication | Monica Baldini; Marisa Belicchi-Ferrari; Franco Bisceglie; Pier Paolo Dall'Aglio; Giorgio Pelosi; Silvana Pinelli; Pieralberto Tarasconi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 7170 - 7179 |
| a | 13.227 ± 0.003 Å |
| b | 5.269 ± 0.001 Å |
| c | 18.927 ± 0.003 Å |
| α | 90 ± 0° |
| β | 91.86 ± 0.02° |
| γ | 90 ± 0° |
| Cell volume | 1318.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2096 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.749 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179158 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/19. |
4311965.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311965.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311965.cif |
| 3467 | 2010-11-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4311965 via cif-deposit CGI script. |
4311965.cif |
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