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Information card for entry 7026659
Preview
| Coordinates | 7026659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | cis-diamine(2-((furfurylamino)(pyridin-2-yl)methyl)-3-hydroxy- 1,4-naphthoquinonato-N1,N2)platinum(ii) nitrate |
|---|---|
| Chemical name | cis-diamine{2-[(furfurylamino)(pyridin-2-yl)methyl]-3-hydroxy- 1,4-naphthoquinonato-N1,N2}platinum(II) nitrate |
| Formula | C21 H28 N5 O10.5 Pt |
| Calculated formula | C21 H28 N5 O10.5 Pt |
| SMILES | [Pt]1([n]2c(cccc2)C([NH]1Cc1occc1)C1C(=O)c2ccccc2C(=O)C=1[O-])([NH3])[NH3].N(=O)(=O)[O-].O.O.O.O |
| Title of publication | Novel platinum(II) complexes of 3-(aminomethyl)naphthoquinone Mannich bases: synthesis, crystal structure and cytotoxic activities. |
| Authors of publication | Neves, Amanda P.; da Silva, Gustavo B.; Vargas, Maria D.; Pinheiro, Carlos B.; Visentin, Lorenzo do C; Filho, José D B M; Araújo, Ana J; Costa-Lotufo, Letícia V; Pessoa, Cláudia; de Moraes, Manoel O. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 42 |
| Pages of publication | 10203 - 10216 |
| a | 31.7768 ± 0.0012 Å |
| b | 9.4926 ± 0.0002 Å |
| c | 19.6173 ± 0.0014 Å |
| α | 90° |
| β | 122.01° |
| γ | 90° |
| Cell volume | 5017.7 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0616 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1313 |
| Weighted residual factors for all reflections included in the refinement | 0.1405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7026659.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7026659.cif |
| 93557 | 2014-01-13 | cif/ Adding structures of 7026659, 7026660 via cif-deposit CGI script. |
7026659.cif |
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