Information card for entry 4318664

Structure parameters

• Formula: C104.5 H60 F30 Fe2 N12
• Calculated formula: C104.5 H36 F30 Fe2 N12
• Title of publication: Iron(III) and Iron(IV) Corroles: Synthesis, Spectroscopy, Structures, and No Indications for Corrole Radicals
• Authors of publication: Liliya Simkhovich; Israel Goldberg; Zeev Gross
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5433 - 5439
• a: 14.08 ± 0.0005 Å
• b: 16.63 ± 0.0005 Å
• c: 20.974 ± 0.0008 Å
• α: 101.319 ± 0.0019°
• β: 103.885 ± 0.0017°
• γ: 93.244 ± 0.002°
• Cell volume: 4647 ± 0.3 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.1333
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No