Information card for entry 7045402

Structure parameters

• Formula: C64.88 H124.44 Gd2 Mn4 N6.44 O26.56
• Calculated formula: C64.88 H122 Gd2 Mn4 N6.44 O26.56
• 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: 13.1507 ± 0.0005 Å
• b: 13.7341 ± 0.0005 Å
• c: 13.8606 ± 0.0006 Å
• α: 64.935 ± 0.001°
• β: 66.609 ± 0.001°
• γ: 80.602 ± 0.001°
• Cell volume: 2081.25 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0436
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No