Information card for entry 7709231

Structure parameters

• Formula: C74 H80 Cl2 Cu4 Mn2 N20 Na2 O26
• Calculated formula: C74 H80 Cl2 Cu4 Mn2 N20 Na2 O26
• 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: 12.35 ± 0.0006 Å
• b: 13.0272 ± 0.0007 Å
• c: 13.9308 ± 0.0007 Å
• α: 107.897 ± 0.002°
• β: 91.793 ± 0.002°
• γ: 94.147 ± 0.002°
• Cell volume: 2123.85 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No