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Information card for entry 4332777
Preview
| Coordinates | 4332777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | cis-bis(triphenylphosphine)-(cytosine,N3)-(cytosinato,N4) -platinum(II) nitrate water dimethylformamide solvated |
|---|---|
| Formula | C49 H52 N8 O7 P2 Pt |
| Calculated formula | C49 H52 N8 O7 P2 Pt |
| SMILES | [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1c(=O)n(C)ccc1N)Nc1nc(=O)n(C)cc1.N(=O)(=O)[O-].N(C=O)(C)C.O |
| Title of publication | Mono- and Polynuclear Complexes of the Model Nucleobase 1-Methylcytosine. Synthesis and Characterization ofcis-[(PMe2Ph)2Pt{(1-MeCy(−H)}]3(NO3)3andcis-[(PPh3)2Pt{1-MeCy(−H)}(1-MeCy)]NO3 |
| Authors of publication | Longato, Bruno; Montagner, Diego; Zangrando, Ennio |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 20 |
| Pages of publication | 8179 - 8187 |
| a | 13.19 ± 0.003 Å |
| b | 38.648 ± 0.005 Å |
| c | 9.754 ± 0.003 Å |
| α | 90° |
| β | 110.3 ± 0.02° |
| γ | 90° |
| Cell volume | 4663 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.031 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4332777.cif |
| 179430 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/27. |
4332777.cif |
| 98542 | 2014-01-30 | cif/ Adding structures of 4332776, 4332777 via cif-deposit CGI script. |
4332777.cif |
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