Information card for entry 1572646

Structure parameters

• Chemical name: potassium pivaloylmethanate
• Formula: C90 H161.64 K6 O18
• Calculated formula: C90 H161.639 K6 O18
• Title of publication: Chemical and redox non-innocence in low-valent molybdenum β diketonate complexes: novel pathways for CO₂ and CS₂ activation.
• Authors of publication: Masero, Fabio; Mougel, Victor
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 16954 - 16965
• a: 20.6538 ± 0.0002 Å
• b: 25.2668 ± 0.0002 Å
• c: 25.4854 ± 0.0002 Å
• α: 119.028 ± 0.001°
• β: 90.191 ± 0.001°
• γ: 112.348 ± 0.001°
• Cell volume: 10461.4 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1187
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2747
• Weighted residual factors for all reflections included in the refinement: 0.2996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No