Information card for entry 7047233

Structure parameters

• Chemical name: {Tris[5-(4-butyloxytetrafluorophenyl)dipyrrin]}-iron(III)
• Formula: C57 H45 F12 Fe N6 O3
• Calculated formula: C57 H45 F12 Fe N6 O3
• Title of publication: Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives
• Authors of publication: Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 24.002 ± 0.0011 Å
• b: 24.002 ± 0.0011 Å
• c: 15.1852 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7576.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No