Information card for entry 4066318

Structure parameters

• Common name: MLS-3-034
• Chemical name: MLS-3-034
• Formula: C53 H50 D21 N2 O2 Pt
• Calculated formula: C53 H50 D21 N2 O2 Pt
• 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: 12.0695 ± 0.0009 Å
• b: 13.6977 ± 0.0011 Å
• c: 15.178 ± 0.0016 Å
• α: 80.727 ± 0.003°
• β: 84.903 ± 0.003°
• γ: 72.956 ± 0.007°
• Cell volume: 2365.4 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.1242
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No