Information card for entry 1544012

Structure parameters

• Formula: C103 H106 Cl5 Li Mn4 O13.75
• Calculated formula: C103 H106 Cl5 Li Mn4 O13.75
• 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: 14.507 ± 0.004 Å
• b: 28.547 ± 0.008 Å
• c: 23.052 ± 0.007 Å
• α: 90°
• β: 99.72 ± 0.03°
• γ: 90°
• Cell volume: 9410 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No