Information card for entry 7239784

Structure parameters

• Formula: C12 H10 Mn N3 O5
• Calculated formula: C12 H10 Mn N3 O5
• Title of publication: Hydrogen production from formic acid catalyzed by a phosphine free manganese complex: investigation and mechanistic insights
• Authors of publication: Léval, Alexander; Agapova, Anastasiya; Steinlechner, Christoph; Alberico, Elisabetta; Junge, Henrik; Beller, Matthias
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 3
• Pages of publication: 913 - 920
• a: 7.594 ± 0.0014 Å
• b: 8.5623 ± 0.0016 Å
• c: 13.088 ± 0.003 Å
• α: 97.266 ± 0.003°
• β: 95.849 ± 0.003°
• γ: 95.577 ± 0.003°
• Cell volume: 834.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No