Information card for entry 2243038

Structure parameters

• Chemical name: Bis(μ-2-methylpyridine <i>N</i>-oxide)bis[diaquadibromidomanganese(II)]‒2-methylpyridine <i>N</i>-oxide (1/2)
• Formula: C24 H36 Br4 Mn2 N4 O8
• Calculated formula: C24 H36 Br4 Mn2 N4 O8
• SMILES: Br[Mn]1(Br)([OH2])([OH2])[O]([Mn](Br)(Br)([O]1=n1c(cccc1)C)([OH2])[OH2])=n1c(C)cccc1.O=n1ccccc1C.O=n1c(cccc1)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: 8.956 ± 0.0008 Å
• b: 9.7922 ± 0.0009 Å
• c: 10.2945 ± 0.0008 Å
• α: 110.048 ± 0.008°
• β: 90.336 ± 0.007°
• γ: 98.052 ± 0.007°
• Cell volume: 838.34 ± 0.13 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0584
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes