Information card for entry 7027985

Structure parameters

• Formula: C14 H28 Cl2 N8 O13 Pt
• Calculated formula: C14 H23 Cl2 N8 O13 Pt
• SMILES: [Pt]12([n]3c4c(ncnc4N)n([C@@H]4O[C@@H]([C@@H](O)[C@H]4O)CO)c3)[NH2]CC[NH]1CC[NH2]2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Dynamic processes in platinum(II)‒adenosine complexes. Preparation, NMR spectroscopic characterisation and crystal structure of isomeric PtII(dien)‒adenosine complexes
• Authors of publication: Arpalahti, Jorma; Klika, Karel D.; Sillanpää, Reijo; Kivekäs, Raikko
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 8
• Pages of publication: 1397
• a: 13.52 ± 0.006 Å
• b: 14.23 ± 0.01 Å
• c: 12.914 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2485 ± 2 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.96
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No