Information card for entry 4318665

Structure parameters

• Formula: C44 H24 F15 Fe N5 O
• Calculated formula: C43.25 H16 F15 Fe N5 O
• 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: 7.069 ± 0.0001 Å
• b: 20.024 ± 0.0007 Å
• c: 27.839 ± 0.0009 Å
• α: 92.089 ± 0.0013°
• β: 90.149 ± 0.002°
• γ: 93.555 ± 0.0019°
• Cell volume: 3930.4 ± 0.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No