Information card for entry 4321866

Structure parameters

• Formula: C14 H26 Cl2 N12 O11 Pt
• Calculated formula: C14 H26 Cl2 N12 O11 Pt
• SMILES: [Pt]([NH3])([NH3])([n]1c2c(nc([nH]c2=O)N)n(c1)CC)n1c(N)nc2c(c1=O)[n+](C)cn2C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to Metalated DNA Triplex Structures
• Authors of publication: Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1481 - 1490
• a: 13.833 ± 0.003 Å
• b: 14.357 ± 0.003 Å
• c: 13.293 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2640 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.0606
• Goodness-of-fit parameter for all reflections: 0.955
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No