Information card for entry 1565678

Structure parameters

• Formula: C19 H20 Mn N2 O4
• Calculated formula: C19 H20 Mn N2 O4
• Title of publication: A rare flattened tetrahedral Mn(II) salen type complex: Synthesis, crystal structure, biomimetic catalysis and DFT study
• Authors of publication: Banerjee, Saikat; Ghorai, Pravat; Sarkar, Papiya; Panja, Anangamohan; Saha, Amrita
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 499
• Pages of publication: 119176
• a: 24.7944 ± 0.001 Å
• b: 8.0362 ± 0.0003 Å
• c: 8.6956 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1732.62 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No