Information card for entry 4129641

Structure parameters

• Formula: C68 H98 Fe6 N15 O2
• Calculated formula: C68 H98 Fe6 N15 O2
• Title of publication: Meta-Atom Behavior in Clusters Revealing Large Spin Ground States.
• Authors of publication: Hernández Sánchez, Raúl; Betley, Theodore A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 43
• Pages of publication: 13949 - 13956
• a: 22.499 ± 0.002 Å
• b: 17.6805 ± 0.0017 Å
• c: 17.0814 ± 0.0016 Å
• α: 90°
• β: 101.082 ± 0.001°
• γ: 90°
• Cell volume: 6668.2 ± 1.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No