Information card for entry 4116891

Structure parameters

• Formula: C18 H25 N13 O10 Pt
• Calculated formula: C18 H23 N13 O10 Pt
• SMILES: [Pt]([NH3])([NH3])([n]1c(=O)n(C)ccc1N)[n]1c2c(nc(nc2[O-])N)n(c1)CC.c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.O
• Title of publication: Metalated Nucleobase Quartets: Dimerization of a Metal-Modified Guanine, Cytosine Pair of trans-(NH3)2PtII and Formation of CH...N Hydrogen Bonds
• Authors of publication: Roland K. O. Sigel; Eva Freisinger; Susanne Metzger; Bernhard Lippert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 12000 - 12007
• a: 8.884 ± 0.002 Å
• b: 10.67 ± 0.002 Å
• c: 15.62 ± 0.003 Å
• α: 74.23 ± 0.03°
• β: 76.75 ± 0.03°
• γ: 67.19 ± 0.03°
• Cell volume: 1300.6 ± 0.6 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: 0.0452
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.0595
• Goodness-of-fit parameter for all reflections: 0.932
• Goodness-of-fit parameter for significantly intense reflections: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No