Information card for entry 4305126

Structure parameters

• Formula: Co16 H176 Li2 N38.7 O137.98 S32
• Calculated formula: Co16 Li2 N38.72 O137.976 S32
• Title of publication: Polynuclear Cobalt(II/III) Sulfites: Synthesis, Structure, and Magnetic Properties of the Octanuclear Cluster (NH4)11(Li@[Co4IICo4III(SO3)16(NH3)8]).10H2O Encapsulating a Lithium Cation
• Authors of publication: George I. Chilas; Marios Stylianou; Maciej Kubicki; Tiverios Vaimakis; Paul Kögerler; Anastasios D. Keramidas; Themistoklis A. Kabanos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4451 - 4453
• a: 22.5855 ± 0.0002 Å
• b: 22.5855 ± 0.0002 Å
• c: 17.4516 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8902.15 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No