Information card for entry 7017389

Structure parameters

• Formula: C136 H100 Cl16 Mn8 N16 O57
• Calculated formula: C136 H100 Cl16 Mn8 N16 O57
• Title of publication: Magneto-structural correlations in dinuclear Mn(iii) compounds with formula [{Mn(L)(NN)}(μ-O)(μ-2-RC(6)H(4)COO)(2){Mn(L')(NN)}](n+).
• Authors of publication: Gómez, Verónica; Corbella, Montserrat; Roubeau, Olivier; Teat, Simon J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11968 - 11975
• a: 13.8331 ± 0.0009 Å
• b: 14.3137 ± 0.0008 Å
• c: 19.8067 ± 0.0014 Å
• α: 85.011 ± 0.004°
• β: 80.989 ± 0.004°
• γ: 87.146 ± 0.004°
• Cell volume: 3856.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No