Information card for entry 4318666

Structure parameters

• Formula: C49 H29 Cl6 Fe N5 O
• Calculated formula: C47.5 H26 Cl6 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: 38.643 ± 0.0013 Å
• b: 14.5 ± 0.0003 Å
• c: 15.842 ± 0.0005 Å
• α: 90°
• β: 100.889 ± 0.001°
• γ: 90°
• Cell volume: 8716.8 ± 0.4 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.092
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No