Information card for entry 7123296

Structure parameters

• Formula: C14 H18 Br2 N2 O
• Calculated formula: C14 H18 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: 20.6558 ± 0.0011 Å
• b: 11.4656 ± 0.0003 Å
• c: 6.9238 ± 0.0003 Å
• α: 90°
• β: 114.868 ± 0.006°
• γ: 90°
• Cell volume: 1487.73 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No