Information card for entry 7123293

Structure parameters

• Formula: C15 H20 Br2 N2 O
• Calculated formula: C15 H20 Br2 N2 O
• Title of publication: Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production
• Authors of publication: Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.1474 ± 0.001 Å
• b: 14.4208 ± 0.0012 Å
• c: 11.2139 ± 0.001 Å
• α: 90°
• β: 114.15 ± 0.001°
• γ: 90°
• Cell volume: 1644.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No