Information card for entry 4306870

Structure parameters

• Formula: C58 H72.5 Fe N4.5 O3
• Calculated formula: C57 H71 Fe N4 O3
• Title of publication: Design of Molecular Scaffolds Based on Unusual Geometries for Magnetic Modulation of Spin-Diverse Complexes with Selective Redox Response
• Authors of publication: Maurício Lanznaster; Mary Jane Heeg; Gordon T. Yee; Bruce R. McGarvey; Claudio N. Verani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 72 - 78
• a: 13.3191 ± 0.0015 Å
• b: 14.8139 ± 0.0018 Å
• c: 15.9524 ± 0.0018 Å
• α: 113.382 ± 0.003°
• β: 92.588 ± 0.004°
• γ: 94.931 ± 0.002°
• Cell volume: 2867.5 ± 0.6 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No