Information card for entry 4321869

Structure parameters

• Formula: C16 H33 Cl N12 O9 Pt
• Calculated formula: C16 H27 Cl N12 O9 Pt
• SMILES: [Pt]([NH2]C)([NH2]C)([n]1c2c(nc([nH]c2=O)N)n(c1)CC)n1c(N)nc2c(c1=O)[n+](C)cn2C.Cl(=O)(=O)(=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: 23.296 ± 0.005 Å
• b: 10.566 ± 0.002 Å
• c: 22.327 ± 0.004 Å
• α: 90°
• β: 93.73 ± 0.03°
• γ: 90°
• Cell volume: 5484 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.0563
• Goodness-of-fit parameter for all reflections: 0.792
• Goodness-of-fit parameter for significantly intense reflections: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No