Information card for entry 7026986

Structure parameters

• Formula: C20 H53 Ag Cl2 N12 Na O26.5 Pt2
• Calculated formula: C20 H32 Ag Cl2 N12 Na O26.5 Pt2
• SMILES: c1(=O)[n]2c(O[Ag]3456[O](c7ccn(C)c(=O)[n]7[Pt]23([NH3])[NH3])[Na]([OH2])([OH2])([OH2])([OH2])[O]5c2ccn(C)c(=O)[n]2[Pt]4([NH3])([n]2c(=O)n(C)ccc2O6)[NH3])ccn1C.O.O.Cl(=O)(=O)(=O)[O-].O.O.O.O.O=Cl(=O)(=O)[O-].O
• Title of publication: Crystal structures of a protonated form of trans-[Pt(NH3)2(mura)2] and of a derivative containing three different metal ions, Pt2+, Ag+, and Na+ (mura = 1-methyluracilate). Major difference in packing between heteronuclear pyrimidine nucleobase complexes of cis- and trans-(NH3)2PtII
• Authors of publication: Zamora, Felix; Witkowski, Holger; Freisinger, Eva; Müller, Jens; Thormann, Birgit; Albinati, Alberto; Lippert, Bernhard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 2
• Pages of publication: 175
• a: 17.379 ± 0.003 Å
• b: 20.59 ± 0.004 Å
• c: 14.925 ± 0.003 Å
• α: 90°
• β: 108.52 ± 0.03°
• γ: 90°
• Cell volume: 5064.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1112
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.1404
• Weighted residual factors for significantly intense reflections: 0.0922
• Goodness-of-fit parameter for all reflections: 0.868
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No