Information card for entry 4127522

Structure parameters

• Formula: C40 H37 Co2 N5 O7
• Calculated formula: C40 H37 Co2 N5 O7
• Title of publication: Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.
• Authors of publication: Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 22
• Pages of publication: 8846 - 8857
• a: 9.2864 ± 0.0002 Å
• b: 21.6644 ± 0.0005 Å
• c: 18.8463 ± 0.0005 Å
• α: 90°
• β: 95.987 ± 0.002°
• γ: 90°
• Cell volume: 3770.9 ± 0.16 ų
• Cell temperature: 182.9 ± 0.7 K
• Ambient diffraction temperature: 182.9 ± 0.7 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No