Information card for entry 4516116

Structure parameters

• Formula: C22 H18 Mn N4 O10
• Calculated formula: C22 H14 Mn N4 O10
• SMILES: C(=O)(c1cccc(c1)c1cc2[n]([nH]1)[Mn]1([n]3[nH]c(c4cccc(C(=O)O)c4)cc3C(=O)O1)(OC2=O)([OH2])[OH2])O
• Title of publication: Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.
• Authors of publication: Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 15315 - 15324
• a: 7.5725 ± 0.0006 Å
• b: 11.9171 ± 0.0008 Å
• c: 24.932 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2249.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.217
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No