Information card for entry 4317976

Structure parameters

• Formula: C30 H51 N15 O Pt3
• Calculated formula: C30 H51 N15 O Pt3
• SMILES: [Pt]12([n]3cnc4c5c3N[Pt]([n]3cnc6c7c3N[Pt]([n]7cn6C)([n]3cnc6c(c3N1)[n]2cn6C)(C)(C)C)([n]5cn4C)(C)(C)C)(C)(C)C.O=C(C)C
• Title of publication: Synthesis, Characterization, and Structure of [{PtMe3(9-MeA)}3] (9-MeAH = 9-Methyladenine): A Cyclic Trimeric Platinum(IV) Complex with a Nucleobase
• Authors of publication: Xuhui Zhu; Eduard Rusanov; Ralph Kluge; Harry Schmidt; Dirk Steinborn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2667 - 2671
• a: 9.583 ± 0.002 Å
• b: 18.98 ± 0.004 Å
• c: 21.417 ± 0.004 Å
• α: 90°
• β: 96.36 ± 0.03°
• γ: 90°
• Cell volume: 3871.5 ± 1.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections: 0.1783
• Weighted residual factors for significantly intense reflections: 0.1546
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No