Information card for entry 7047232

Structure parameters

• Chemical name: Tris[5-(pentafluorophenyl)dipyrrin]indium(III)
• Formula: C45 H18 F15 In N6
• Calculated formula: C45 H18 F15 In N6
• 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: 10.5034 ± 0.0008 Å
• b: 13.5594 ± 0.0011 Å
• c: 28.179 ± 0.002 Å
• α: 90°
• β: 93.728 ± 0.001°
• γ: 90°
• Cell volume: 4004.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No