Information card for entry 4514108

Structure parameters

• Chemical name: (6,6'-dihydroxy-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)
• Formula: C13 H8 Br Mn N2 O5
• Calculated formula: C13 H8 Br Mn N2 O5
• Title of publication: Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide
• Authors of publication: Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 3864
• a: 17.7576 ± 0.001 Å
• b: 12.9229 ± 0.0007 Å
• c: 12.7518 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2926.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No