Information card for entry 4120771

Structure parameters

• Formula: C26 H6 F24 Mn2 N6 O8 S4
• Calculated formula: C26 H6 F24 Mn2 N6 O8 S4
• Title of publication: High-Spin Ribbons and Antiferromagnetic Ordering of a MnII-Biradical-MnII Complex
• Authors of publication: Elisabeth M. Fatila; Rodolphe Clérac; Mathieu Rouzières; Dmitriy V. Soldatov; Michael Jennings; Kathryn E. Preuss
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13298 - 13301
• a: 29.007 ± 0.005 Å
• b: 15.739 ± 0.002 Å
• c: 19.889 ± 0.003 Å
• α: 90°
• β: 109.985 ± 0.004°
• γ: 90°
• Cell volume: 8533 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No