Information card for entry 2019786

Structure parameters

• Chemical name: Dichlorido{<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazide-κ^2^<i>N</i>',<i>O</i>}manganese(II)
• Formula: C12 H11 Cl2 Mn N5 O
• Calculated formula: C12 H11 Cl2 Mn N5 O
• SMILES: c12cncc[n]2[Mn]2(Cl)(Cl)[N](=C1C)NC(c1cnccc1)=[O]2
• Title of publication: Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand
• Authors of publication: Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• a: 14.1037 ± 0.0007 Å
• b: 7.4955 ± 0.0004 Å
• c: 14.5827 ± 0.0008 Å
• α: 90°
• β: 107.053 ± 0.002°
• γ: 90°
• Cell volume: 1473.82 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes