Information card for entry 4347804

Structure parameters

• Formula: C69.53 H63.58 Mn3 N7.47 O15 Y
• Calculated formula: C69.528 H63.584 Mn3 N7.472 O15 Y
• Title of publication: Effect of the Mn Oxidation State on Single-Molecule-Magnet Properties: Mn(III) vs Mn(IV) in Biologically Inspired DyMn3O4 Cubanes.
• Authors of publication: Lin, Po-Heng; Tsui, Emily Y.; Habib, Fatemah; Murugesu, Muralee; Agapie, Theodor
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6095 - 6099
• a: 15.2019 ± 0.0009 Å
• b: 15.2276 ± 0.0009 Å
• c: 16.6962 ± 0.001 Å
• α: 74.449 ± 0.002°
• β: 74.51 ± 0.002°
• γ: 66.594 ± 0.002°
• Cell volume: 3360.3 ± 0.4 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: 0.1359
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No