Information card for entry 2243039

Structure parameters

• Chemical name: Bis(μ-3-methylpyridine <i>N</i>-oxide)bis[aquadibromido(3-methylpyridine <i>N</i>-oxide)manganese(II)]
• Formula: C24 H32 Br4 Mn2 N4 O6
• Calculated formula: C24 H32 Br4 Mn2 N4 O6
• SMILES: Br[Mn]1(Br)([O]=n2cc(ccc2)C)([O]([Mn](Br)(Br)(O=n2cc(ccc2)C)([O]1=n1cc(ccc1)C)[OH2])=n1cc(C)ccc1)[OH2]
• 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: 7.6354 ± 0.0005 Å
• b: 9.97 ± 0.0008 Å
• c: 11.898 ± 0.001 Å
• α: 111.98 ± 0.007°
• β: 100.36 ± 0.006°
• γ: 97.737 ± 0.006°
• Cell volume: 805.71 ± 0.12 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: 0.058
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes