Information card for entry 4514863

Structure parameters

• Formula: C13 H12 Br Mn N2 O4
• Calculated formula: C13 H12 Br Mn N2 O4
• Title of publication: Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes
• Authors of publication: Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 2091
• a: 11.071 ± 0.0005 Å
• b: 10.4143 ± 0.0005 Å
• c: 13.4557 ± 0.0006 Å
• α: 90°
• β: 105.015 ± 0.0007°
• γ: 90°
• Cell volume: 1498.43 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0255
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No