Information card for entry 7045394

Structure parameters

• Formula: C71 H132 Mn4 N6 Nd2 O27
• Calculated formula: C71.6 H131.8 Mn4 N6 Nd2 O27
• 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: 27.1777 ± 0.0017 Å
• b: 14.5314 ± 0.0009 Å
• c: 21.9879 ± 0.0014 Å
• α: 90°
• β: 92.649 ± 0.001°
• γ: 90°
• Cell volume: 8674.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.04
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No