Information card for entry 4083710

Structure parameters

• Common name: JDPIV3
• Chemical name: JDPIV3
• Formula: C100 H158 K6 N24 O16 Pt6
• Calculated formula: C100 H158 K6 N24 O16 Pt6
• SMILES: [Pt]1(C)(C)[n]2c(C)cc(C)n2C(C2=[O]3[K]456[O](C(C7n8c(C)cc(C)[n]8[Pt](C)(C)[n]8c(cc(C)n78)C)=[O]4)[K]([O]2[K]2[O]4=C(C7n8c(cc(C)[n]8[Pt](C)(C)[n]8c(C)cc(C)n78)C)[O]7[K]([O]5C(=[O][K]34[O]3CCCC3)C3n4c(C)cc(C)[n]4[Pt](C)(C)[n]4c(cc(C)n34)C)[O]6C(=[O][K]7[O]2C(=O)C2n3c(cc(C)[n]3[Pt](C)(C)[n]3c(C)cc(C)n23)C)C2n3c(cc(C)[n]3[Pt](C)(C)[n]3c(C)cc(C)n23)C)[O]2CCCC2)n2c(cc(C)[n]12)C.O1CCCC1.O1CCCC1
• Title of publication: Methylplatinum(II) and Molecular Oxygen: Oxidation to Methylplatinum(IV) in Competition with Methyl Group Transfer To Form Dimethylplatinum(IV)
• Authors of publication: Prantner, Jason D.; Kaminsky, Werner; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140619124045007
• a: 16.116 ± 0.0004 Å
• b: 26.5699 ± 0.0006 Å
• c: 29.9824 ± 0.0006 Å
• α: 90°
• β: 96.608 ± 0.001°
• γ: 90°
• Cell volume: 12753.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1264
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No