Information card for entry 1552248

Structure parameters

• Formula: C55 H74 Au B2 K O9 P2
• Calculated formula: C55 H74 Au B2 K O9 P2
• Title of publication: CO2 reduction with protons and electrons at a boron-based reaction center
• Authors of publication: Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 17.085 ± 0.003 Å
• b: 17.761 ± 0.003 Å
• c: 18.264 ± 0.003 Å
• α: 91.133 ± 0.002°
• β: 91.253 ± 0.002°
• γ: 90.383 ± 0.002°
• Cell volume: 5539.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No