Information card for entry 2019603

Structure parameters

• Chemical name: [2,5-Bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene]dichloridomanganese(II)
• Formula: C24 H20 Cl2 Mn N6
• Calculated formula: C24 H20 Cl2 Mn N6
• SMILES: [Mn]12(Cl)(Cl)[n]3c(cccc3)c3[n]1c(ccc3)C(=[N]2/N=C(/c1nc(c2ncccc2)ccc1)C)C
• Title of publication: [2,5-Bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene]dichloridomanganese(II): from a mononuclear compound to a three-dimensional supramolecular framework through C—H···Cl hydrogen bonds and π‒π stacking interactions
• Authors of publication: Lu, Zhengliang; Zhao, Yuanchao; Chen, Baolian; Huang, Ximing; Fan, Chunhua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 718 - 721
• a: 8.5761 ± 0.0005 Å
• b: 8.9118 ± 0.0006 Å
• c: 16.4088 ± 0.0009 Å
• α: 96.192 ± 0.005°
• β: 91.571 ± 0.005°
• γ: 112.971 ± 0.006°
• Cell volume: 1144.6 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes