Information card for entry 4324759

Structure parameters

• Common name: Fe3CrC9SAc
• Formula: C96 H168 Cr Fe3 O20 S2
• Calculated formula: C96 H168 Cr Fe3 O20 S2
• Title of publication: Spin Structure of Surface-Supported Single-Molecule Magnets from Isomorphous Replacement and X-ray Magnetic Circular Dichroism
• Authors of publication: Matteo Mannini; Erik Tancini; Lorenzo Sorace; Philippe Sainctavit; Marie-Anne Arrio; Yu Qian; Edwige Otero; Daniele Chiappe; Ludovica Margheriti; Julio C. Cezar; Roberta Sessoli; Andrea Cornia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2911 - 2917
• a: 27.4032 ± 0.0015 Å
• b: 20.8832 ± 0.0013 Å
• c: 18.9981 ± 0.0012 Å
• α: 90°
• β: 97.929 ± 0.002°
• γ: 90°
• Cell volume: 10768 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0958
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No