Information card for entry 2241789

Structure parameters

• Chemical name: <i>fac</i>-Bromidotricarbonyl(6,6'-dihydroxy-2,2'-bipyridine)manganese(I) tetrahydrofuran monosolvate
• Formula: C17 H16 Br Mn N2 O6
• Calculated formula: C17 H16 Br Mn N2 O6
• SMILES: Br[Mn]1(C#[O])(C#[O])(C#[O])[n]2c(O)cccc2c2[n]1c(O)ccc2.O1CCCC1
• Title of publication: Crystal structures of <i>fac</i>-tricarbonylchlorido(6,6'-dihydroxy-2,2'-bipyridine)rhenium(I) tetrahydrofuran monosolvate and <i>fac</i>-bromidotricarbonyl(6,6'-dihydroxy-2,2'-bipyridine)manganese(I) tetrahydrofuran monosolvate
• Authors of publication: Lense, Sheri; Piro, Nicholas A.; Kassel, Scott W.; Wildish, Andrew; Jeffery, Brent
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1201 - 1205
• a: 10.2401 ± 0.0012 Å
• b: 13.1783 ± 0.0015 Å
• c: 14.248 ± 0.0016 Å
• α: 90°
• β: 106.228 ± 0.003°
• γ: 90°
• Cell volume: 1846.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes