Information card for entry 1514942

Structure parameters

• Formula: C60 H74 Fe3 N6 O4.75
• Calculated formula: C60 H74 Fe3 N6 O4.75
• Title of publication: Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)
• Authors of publication: Eames, Emily V.; Harris, T. David; Betley, Theodore A.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 407
• a: 21.1077 ± 0.0018 Å
• b: 15.5695 ± 0.0013 Å
• c: 33.842 ± 0.003 Å
• α: 90°
• β: 98.773 ± 0.006°
• γ: 90°
• Cell volume: 10991.6 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.1473
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No