Information card for entry 7704066

Structure parameters

• Common name: L6 dimeric Mn complex
• Formula: C32 H36 Cl4 F3 Mn0.5 N4 O8
• Calculated formula: C32 H34 Cl4 F3 Mn0.5 N4 O8
• Title of publication: Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.
• Authors of publication: Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5965 - 5973
• a: 8.338 ± 0.0017 Å
• b: 27.317 ± 0.006 Å
• c: 16.519 ± 0.003 Å
• α: 90°
• β: 94.12 ± 0.03°
• γ: 90°
• Cell volume: 3752.8 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.27
• Weighted residual factors for all reflections included in the refinement: 0.2892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No