Information card for entry 7045397

Structure parameters

• Formula: C71 H132 Mn4 N6 O27 Pr2
• Calculated formula: C71 H130 Mn4 N6 O27 Pr2
• Title of publication: Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn₄Ln₂ coordination clusters.
• Authors of publication: Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3485 - 3495
• a: 27.171 ± 0.0007 Å
• b: 14.5793 ± 0.0004 Å
• c: 22.0369 ± 0.0006 Å
• α: 90°
• β: 92.65 ± 0.001°
• γ: 90°
• Cell volume: 8720.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No