Information card for entry 4108337

Structure parameters

• Formula: C24 H33 Co3.25 F9 N3 O9
• Calculated formula: C24 H33 Co3.5 F9 N3 O9
• Title of publication: Structure, Magnetism, and Theoretical Study of a Mixed-Valence CoII3CoIII4 Heptanuclear Wheel: Lack of SMM Behavior despite Negative Magnetic Anisotropy
• Authors of publication: Liviu F. Chibotaru; Liviu Ungur; Christophe Aronica; Hani Elmoll; Guillaume Pilet; Dominique Luneau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12445 - 12455
• a: 13.409 ± 0.005 Å
• b: 12.052 ± 0.005 Å
• c: 20.006 ± 0.005 Å
• α: 90°
• β: 101.237 ± 0.005°
• γ: 90°
• Cell volume: 3171.1 ± 1.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2173
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No