Information card for entry 4318833

Structure parameters

• Formula: C13 H28 N14 O10 Pt
• Calculated formula: C13 H22 N14 O10 Pt
• SMILES: [Pt]([NH3])([NH3])([n]1cnc2c(c1N)ncn2CC)[n]1c2c(nc([nH]c2=O)N)n(c1)C.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O
• Title of publication: Association Patterns of Platinated Purine Nucleobases in Metal-Modified Pairs and Triples
• Authors of publication: Michael Roitzsch; Irene B. Rother; Michael Willermann; Andrea Erxleben; Burkhard Costisella; Bernhard Lippert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5946 - 5953
• a: 9.888 ± 0.001 Å
• b: 10.627 ± 0.001 Å
• c: 12.598 ± 0.001 Å
• α: 83.4 ± 0.01°
• β: 88.58 ± 0.01°
• γ: 74.06 ± 0.01°
• Cell volume: 1264.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections: 0.1256
• Weighted residual factors for significantly intense reflections: 0.0831
• Goodness-of-fit parameter for all reflections: 1.233
• Goodness-of-fit parameter for significantly intense reflections: 0.882
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No