Information card for entry 7047231

Structure parameters

• Chemical name: Tris[5-(4-allyloxytetrafluorophenyl)diprrin]indium(III)
• Formula: C54 H33 F12 In N6 O3
• Calculated formula: C54 H33 F12 In 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: 23.433 ± 0.003 Å
• b: 23.433 ± 0.003 Å
• c: 15.332 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7291 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0533
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No