Information card for entry 7039352

Structure parameters

• Formula: C116 H113 Cl6 Mn6 N13 O49
• Calculated formula: C116 H108 Cl6 Mn6 N13 O49.01
• Title of publication: New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.
• Authors of publication: Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 11753 - 11764
• a: 25.409 ± 0.007 Å
• b: 25.409 ± 0.007 Å
• c: 35.143 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19649 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1303
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No