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Information card for entry 4309719
Preview
| Coordinates | 4309719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H31 Cl N4 O7 Pt S |
|---|---|
| Calculated formula | C19 H31 Cl N4 O7 Pt S |
| SMILES | [Pt]1([S](=O)(C)C)([N](Cc2c1cccc2)(C)C)[n]1c(ccn(c1=O)C)N.Cl(=O)(=O)(=O)[O-].CC(=O)C |
| Title of publication | New Palladium(II) and Platinum(II) Complexes with the Model Nucleobase 1-Methylcytosine: Antitumor Activity and Interactions with DNA |
| Authors of publication | José Ruiz; Natalia Cutillas; Consuelo Vicente; María Dolores Villa; Gregorio López; Julia Lorenzo; Francesc X. Avilés; Virtudes Moreno; Delia Bautista |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 7365 - 7376 |
| a | 13.6323 ± 0.0006 Å |
| b | 13.9239 ± 0.0006 Å |
| c | 14.2497 ± 0.0006 Å |
| α | 90° |
| β | 116.498 ± 0.002° |
| γ | 90° |
| Cell volume | 2420.66 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0245 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0523 |
| Weighted residual factors for all reflections included in the refinement | 0.0525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179135 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/97. |
4309719.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309719.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309719.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309719.cif |
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Users of the data should acknowledge the original authors of the
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