Information card for entry 7018846

Structure parameters

• Formula: C12 H26 Cl2 N12 O13 Pt
• Calculated formula: C12 H26 Cl2 N12 O13 Pt
• SMILES: [Pt]([NH3])([NH3])([n]1c2nc([nH]c(=O)c2n(C)c1)N)[n]1c([nH]c(=O)c2c1ncn2C)N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O
• Title of publication: 7-Methylguanine: protonation, formation of linkage isomers with trans-(NH3)2PtII, and base pairing properties
• Authors of publication: Kozma, Ágnes; Ibáñez, Susana; Silaghi-Dumitrescu, Radu; Sanz Miguel, Pablo J.; Gupta, Deepali; Lippert, Bernhard
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 6094
• a: 9.3162 ± 0.0004 Å
• b: 10.4184 ± 0.0005 Å
• c: 13.6046 ± 0.0006 Å
• α: 76.664 ± 0.004°
• β: 83.274 ± 0.004°
• γ: 77.138 ± 0.004°
• Cell volume: 1249.6 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No