Information card for entry 4327669

Structure parameters

• Formula: C12 H24 N14 O8 Pt
• Calculated formula: C12 H24 N14 O8 Pt
• SMILES: [Pt]([NH]=c1[nH]cnc2n(cnc12)C)([n]1c2c(ncnc2N)n(c1)C)([NH3])[NH3].O=N(=O)[O-].O=N(=O)[O-].O.O
• Title of publication: Intramolecular Migration of Coordinated Platinum(II) from the N7 Site to the Exocyclic Amino Group in 9-Methyladenine
• Authors of publication: Jussi Viljanen; Karel D. Klika; Reijo Sillanpää; Jorma Arpalahti
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4924 - 4925
• a: 12.113 ± 0.005 Å
• b: 12.579 ± 0.006 Å
• c: 8.238 ± 0.003 Å
• α: 90.09 ± 0.04°
• β: 96.93 ± 0.03°
• γ: 110.6 ± 0.03°
• Cell volume: 1165.1 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No