Information card for entry 2243040

Structure parameters

• Chemical name: Bis(μ-4-methylpyridine <i>N</i>-oxide)bis[dibromidomethanol(4-methylpyridine <i>N</i>-oxide)manganese(II)]
• Formula: C26 H36 Br4 Mn2 N4 O6
• Calculated formula: C26 H36 Br4 Mn2 N4 O6
• SMILES: Br[Mn]1(Br)([O]=n2ccc(cc2)C)([O]([Mn](Br)(Br)([O]=n2ccc(cc2)C)([O]1=n1ccc(cc1)C)[OH]C)=n1ccc(cc1)C)[OH]C
• Title of publication: Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide
• Authors of publication: Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1284 - 1290
• a: 13.5384 ± 0.0007 Å
• b: 9.5354 ± 0.0004 Å
• c: 13.7292 ± 0.0007 Å
• α: 90°
• β: 103.112 ± 0.005°
• γ: 90°
• Cell volume: 1726.15 ± 0.15 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0585
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes