Information card for entry 1552249

Structure parameters

• Formula: C45 H65 Au B2 O P2 Si
• Calculated formula: C45 H65 Au B2 O P2 Si
• 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: 20.6988 ± 0.0005 Å
• b: 22.0547 ± 0.0005 Å
• c: 19.2806 ± 0.0005 Å
• α: 90°
• β: 92.3184 ± 0.0005°
• γ: 90°
• Cell volume: 8794.5 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No