Information card for entry 4066319

Structure parameters

• Common name: mls_3_161_1
• Chemical name: mls_3_161_1
• Formula: C83 H128 N4 Pt2
• Calculated formula: C83 H128 N4 Pt2
• Title of publication: Metal−Ligand Cooperativity in O2Activation: Observation of a “Pt−O−O−C” Peroxo Intermediate§
• Authors of publication: Scheuermann, Margaret L.; Fekl, Ulrich; Kaminsky, Werner; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4749
• a: 9.264 ± 0.005 Å
• b: 11.244 ± 0.005 Å
• c: 19.1 ± 0.005 Å
• α: 89.109 ± 0.005°
• β: 78.762 ± 0.005°
• γ: 76.84 ± 0.005°
• Cell volume: 1899.3 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No