Information card for entry 1544009

Structure parameters

• Formula: C58.2 H68.4 Cl3.04 Mn3 O9.92
• Calculated formula: C58.202 H68.4 Cl3.04 Mn3 O9.92
• 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: 22.08 ± 0.006 Å
• b: 11.657 ± 0.003 Å
• c: 23.525 ± 0.007 Å
• α: 90°
• β: 113.24 ± 0.03°
• γ: 90°
• Cell volume: 5564 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0958
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No