Information card for entry 4100766

Structure parameters

• Common name: trans-[(NH3)2Pt(1,9-DimeAH-N7)(1,9-DimeA-N7)](ClO4)3*1.5H2O
• Formula: C14 H25 Cl3 N12 O13.5 Pt
• Calculated formula: C14 H25 Cl3 N12 O13.5 Pt
• SMILES: [Pt]([n]1c2c(n(c1)C)nc[n+](c2N)C)([N]1C2=C(N=CN(C)C2=N)N(C=1)C)([NH3])[NH3].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values
• Authors of publication: Michael Roitzsch; Bernhard Lippert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2421 - 2424
• a: 13.026 ± 0.003 Å
• b: 21.698 ± 0.004 Å
• c: 19.871 ± 0.004 Å
• α: 90°
• β: 96.78 ± 0.03°
• γ: 90°
• Cell volume: 5577 ± 1.9 ų
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No