Information card for entry 7115954

Structure parameters

• Chemical name: fac-bromo-tricarbonyl-((4-phenyl-6-(1,3-dihydroxybenzen-2-yl)-2,2'-bipyridine)-manganese. Et2O
• Formula: C4.14 H3.71 Br0.14 Mn0.14 N0.29 O0.86
• Calculated formula: C4.14286 H3.71429 Br0.142857 Mn0.142857 N0.285714 O0.857143
• Title of publication: A local proton source in a [Mn(bpy-R)(CO)3Br]-type redox catalyst enables CO2 reduction even in the absence of Bronsted acids
• Authors of publication: Federico Franco; Claudio Cometto; Federico Ferrero Vallana; Fabrizio Sordello; Emanuele Priola; Claudio Minero; Carlo Nervi; Roberto Gobetto
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14670
• a: 11.3412 ± 0.0005 Å
• b: 11.5546 ± 0.0005 Å
• c: 12.4448 ± 0.0006 Å
• α: 71.684 ± 0.004°
• β: 69.151 ± 0.004°
• γ: 79.227 ± 0.004°
• Cell volume: 1441.62 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No