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Information card for entry 4332776
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| Coordinates | 4332776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | exa(dimethylphenylphosphine)-tris(cytosinato,N3,N4)-triplatinum(II) trinitrate water acetonitrile solvated |
|---|---|
| Formula | C65 H89 N13 O13 P6 Pt3 |
| Calculated formula | C65 H84 N13 O13 P6 Pt3 |
| SMILES | [Pt]1(N2C(=O)N(C)C=CC2=[NH][Pt](N2C(=O)N(C)C=CC2=[NH][Pt](N2C(=O)N(C)C=CC2=[NH]1)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.N#CC |
| 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 | 14.969 ± 0.004 Å |
| b | 15.766 ± 0.004 Å |
| c | 21.517 ± 0.005 Å |
| α | 74.31 ± 0.03° |
| β | 74.71 ± 0.02° |
| γ | 62.19 ± 0.02° |
| Cell volume | 4267 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1048 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179430 (current) | 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. |
4332776.cif |
| 98542 | 2014-01-30 | cif/ Adding structures of 4332776, 4332777 via cif-deposit CGI script. |
4332776.cif |
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