Information card for entry 7027450

Structure parameters

• Formula: C35 H30 Cl3 N9 O14 Pt2
• Calculated formula: C35 H28 Cl3 N9 O14 Pt2
• SMILES: [Pt]12(NC3C=CN(C)C(=O)[N]=3[Pt]34[n]5c(cccc5)c5[n]4c(ccc5)c4[n]3cccc4)[n]3c(cccc3)c3[n]1c(ccc3)c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Mono- and di-nuclear complexes of (trpy)MII (M = Pd, Pt) with the model nucleobase 1-methylcytosine. Crystal structure and NMR solution studies
• Authors of publication: Coşar, Sultan; Janik, Matthias B. L.; Flock, Matthias; Freisinger, Eva; Farkas, Etelka; Lippert, Bernhard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 14
• Pages of publication: 2329
• a: 14.066 ± 0.003 Å
• b: 10.988 ± 0.002 Å
• c: 25.783 ± 0.005 Å
• α: 90°
• β: 101.7 ± 0.03°
• γ: 90°
• Cell volume: 3902.2 ± 1.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0978
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1198
• Weighted residual factors for significantly intense reflections: 0.0747
• Goodness-of-fit parameter for all reflections: 0.865
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No