Information card for entry 2242463

Structure parameters

• Chemical name: <i>fac</i>-Bromido[2-(2,2'-bipyridin-6-yl)benzoic acid-κ^2^<i>N</i>,<i>N</i>']tricarbonylmanganese(I) tetrahydrofuran monosolvate
• Formula: C20 H12 Br Mn N2 O5
• Calculated formula: C20 H12 Br Mn N2 O5
• Title of publication: Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety
• Authors of publication: Lense, Sheri; Guzei, Ilia A.; Andersen, Jessica; Thao, Kong Choua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 731 - 736
• a: 10.525 ± 0.003 Å
• b: 18.187 ± 0.005 Å
• c: 12.459 ± 0.004 Å
• α: 90°
• β: 105.928 ± 0.013°
• γ: 90°
• Cell volume: 2293.3 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.97 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes