Information card for entry 1544008

Structure parameters

• Formula: C49 H54 Cl2 Mn2 O10
• Calculated formula: C49 H54 Cl2 Mn2 O10
• SMILES: [Mn]123([Cl][Mn](Cl)([O]=C(O1)C(c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=[O]2)C(c1ccccc1)(c1ccccc1)c1ccccc1)[OH]CCOC)([OH]CC[O]3C)[OH]CCOC
• Title of publication: Constructing anhydrous halide bridged manganese(II) clusters: Synthesis, structures and magnetic properties
• Authors of publication: Utko Jozef; Canaj Angelos B.; Milios Constantinos J.; Dobrzynska Danuta; Pawlus, Katarzyna; Mikołajczyk, Alicja; Lis, Tadeusz
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 458 - 464
• a: 9.615 ± 0.003 Å
• b: 25.662 ± 0.008 Å
• c: 18.788 ± 0.006 Å
• α: 90°
• β: 93.9 ± 0.03°
• γ: 90°
• Cell volume: 4625 ± 3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No