Information card for entry 1544010

Structure parameters

• Formula: C104 H108 Cl5 Mn4 Na O14
• Calculated formula: C104.004 H108 Cl5 Mn4 Na O14.002
• SMILES: C1(=[O][Mn]23([Cl]4[Na]56[Cl]7[Mn]4([O]=C(O[Mn]47([Cl]6[Mn]([Cl]25)([O]=C(C(c2ccccc2)(c2ccccc2)c2ccccc2)O4)[O]=C(C(c2ccccc2)(c2ccccc2)c2ccccc2)O3)[O]2CCCC2)C(c2ccccc2)(c2ccccc2)c2ccccc2)([O]2CCCC2)O1)[O]1CCCC1)C(c1ccccc1)(c1ccccc1)c1ccccc1.C1CCOC1.C1CCOC1.C1CCOC1.[Cl-]
• 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: 14.434 ± 0.004 Å
• b: 28.788 ± 0.008 Å
• c: 22.949 ± 0.006 Å
• α: 90°
• β: 98.16 ± 0.03°
• γ: 90°
• Cell volume: 9439 ± 5 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No