Information card for entry 4514864

Structure parameters

• Formula: C15 H10 Br Mn N2 O4
• Calculated formula: C15 H10 Br Mn N2 O4
• SMILES: Br[Mn]1(C#[O])(C#[O])(C#[O])[N]2CCOC=2c2ccc3ccccc3[n]12
• 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: 7.1769 ± 0.0004 Å
• b: 9.2213 ± 0.0005 Å
• c: 11.5716 ± 0.0006 Å
• α: 85.6351 ± 0.0018°
• β: 84.0784 ± 0.0018°
• γ: 82.509 ± 0.0017°
• Cell volume: 753.7 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No