Information card for entry 7709229

Structure parameters

• Formula: C56 H67 Cl2 Cu3 Mn N6 O24
• Calculated formula: C56 H67 Cl2 Cu3 Mn N6 O24
• Title of publication: Quasi-isotropic SMMs: slow relaxation of the magnetization in polynuclear Cu^II/Mn^II complexes.
• Authors of publication: Pilichos, Evangelos; Bhunia, Pradip; Font-Bardia, Mercè; Ghosh, Ashutosh; Mayans, Júlia; Escuer, Albert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1779 - 1783
• a: 15.4787 ± 0.0006 Å
• b: 22.7556 ± 0.0009 Å
• c: 17.7148 ± 0.0007 Å
• α: 90°
• β: 97.002 ± 0.001°
• γ: 90°
• Cell volume: 6193.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.079
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No