Information card for entry 7037551

Structure parameters

• Formula: C120 H99.5 Mn8 N8.5 Nd4 O51.5
• Calculated formula: C117 H94 Mn8 N8 Nd4 O51
• Title of publication: Dodenuclear [MnLn] clusters with 2-(hydroxymethyl)pyridine: syntheses, structures, and magnetic properties.
• Authors of publication: Sun, Lei; Chen, Hui; Ma, Chengbing; Chen, Changneng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 20964 - 20971
• a: 14.3442 ± 0.0004 Å
• b: 14.6164 ± 0.0003 Å
• c: 17.0451 ± 0.0005 Å
• α: 66.291 ± 0.003°
• β: 88.213 ± 0.002°
• γ: 84.183 ± 0.002°
• Cell volume: 3255.04 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0526
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No