Information card for entry 1571146

Structure parameters

• Formula: C48 H40 F20 Mn O4 P2 Te4
• Calculated formula: C48 H40 F20 Mn O4 P2 Te4
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[Te](F)(F)(F)(F)O[Mn](O[Te](F)(F)(F)(F)F)(O[Te](F)(F)(F)(F)F)O[Te](F)(F)(F)(F)F.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Questing for homoleptic mononuclear manganese complexes with monodentate O-donor ligands.
• Authors of publication: Pérez-Bitrián, Alberto; Munárriz, Julen; Krause, Konstantin B.; Schlögl, Johanna; Hoffmann, Kurt F.; Sturm, Johanna S.; Hadi, Amiera N.; Teutloff, Christian; Wiesner, Anja; Limberg, Christian; Riedel, Sebastian
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 5564 - 5572
• a: 11.8607 ± 0.0003 Å
• b: 11.8607 ± 0.0003 Å
• c: 39.8339 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5603.7 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No