Information card for entry 7026917

Structure parameters

• Formula: C62 H40 Cl4 Mn2 N8 O12
• Calculated formula: C62 H40 Cl4 Mn2 N8 O12
• Title of publication: A μ(1,1)- or μ(1,3)-carboxylate bridge makes the difference in the magnetic properties of dinuclear Mn(II) compounds.
• Authors of publication: Gómez, Verónica; Corbella, Montserrat; Font-Bardia, Mercé; Calvet, Teresa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 48
• Pages of publication: 11664 - 11674
• a: 14.585 ± 0.002 Å
• b: 19.584 ± 0.003 Å
• c: 9.5953 ± 0.0013 Å
• α: 90°
• β: 96.055 ± 0.009°
• γ: 90°
• Cell volume: 2725.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No