Information card for entry 2243041

Structure parameters

• Chemical name: Bis(μ-pyridine <i>N</i>-oxide)bis[aquadibromido(pyridine <i>N</i>-oxide)manganese(II)]
• Formula: C20 H24 Br4 Mn2 N4 O6
• Calculated formula: C20 H24 Br4 Mn2 N4 O6
• SMILES: Br[Mn]1(Br)([O]([Mn](Br)(Br)([O]1=n1ccccc1)([O]=n1ccccc1)[OH2])=n1ccccc1)([O]=n1ccccc1)[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: 7.736 ± 0.004 Å
• b: 15.179 ± 0.007 Å
• c: 12.528 ± 0.006 Å
• α: 90°
• β: 100.055 ± 0.004°
• γ: 90°
• Cell volume: 1448.5 ± 1.2 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: 0.0465
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes