Information card for entry 2020880

Structure parameters

• Chemical name: Bis(methanol-κ<i>O</i>)bis[5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>]manganese(II)
• Formula: C22 H24 Mn N10 O4
• Calculated formula: C22 H24 Mn N10 O4
• SMILES: [Mn]12(n3nnnc3NC(=[O]1)/C=C/c1ccccc1)([O]=C(Nc1nnnn21)/C=C/c1ccccc1)([OH]C)[OH]C
• Title of publication: Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures
• Authors of publication: Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 5.9328 ± 0.0012 Å
• b: 10.245 ± 0.002 Å
• c: 10.853 ± 0.002 Å
• α: 105.33 ± 0.03°
• β: 103.2 ± 0.03°
• γ: 94 ± 0.03°
• Cell volume: 613.4 ± 0.3 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: 0.0625
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes