Information card for entry 2312026

Structure parameters

• Chemical name: Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>)manganese(II)
• Formula: C40 H54 Mn N4 O8
• Calculated formula: C40 H54 Mn N4 O8
• Title of publication: Crystal structure and Hirshfeld surface analysis of di-aqua-bis-(<i>N</i>,<i>N</i>-di-ethyl-nicotinamide-κ<i>N</i>¹)bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)manganese(II).
• Authors of publication: Hökelek, Tuncer; Özkaya, Safiye; Necefoğlu, Hacali
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 4
• Pages of publication: 422 - 427
• a: 13.104 ± 0.0004 Å
• b: 10.8828 ± 0.0003 Å
• c: 15.7167 ± 0.0004 Å
• α: 90°
• β: 111.57 ± 0.002°
• γ: 90°
• Cell volume: 2084.37 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes