Information card for entry 4301259

Structure parameters

• Formula: C70 H75 Gd2 Mn N19 O15
• Calculated formula: C50 H45 Gd2 Mn N9 O15
• Title of publication: Initial Use of Dioximate Ligands in 3d/4f Cluster Chemistry: Synthesis, Structure, and Magnetic Studies of an Unusual [GdIII2MnIVO]8+ Complex
• Authors of publication: Christos Lampropoulos; Theocharis C. Stamatatos; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 429 - 431
• a: 19.424 ± 0.002 Å
• b: 27.132 ± 0.003 Å
• c: 30.071 ± 0.003 Å
• α: 90°
• β: 90.155 ± 0.002°
• γ: 90°
• Cell volume: 15848 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2068
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No