Information card for entry 4332776

Structure parameters

• 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 ų
• 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