Information card for entry 4134743

Structure parameters

• Formula: C40 H43 F18 N13 P3 V
• Calculated formula: C40 H43 F18 N13 P3 V
• Title of publication: A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution.
• Authors of publication: Dorn, Matthias; Kalmbach, Jens; Boden, Pit; Päpcke, Ayla; Gómez, Sandra; Förster, Christoph; Kuczelinis, Felix; Carrella, Luca M.; Büldt, Laura A; Bings, Nicolas H.; Rentschler, Eva; Lochbrunner, Stefan; González, Leticia; Gerhards, Markus; Seitz, Michael; Heinze, Katja
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 17
• Pages of publication: 7947 - 7955
• a: 11.483 ± 0.002 Å
• b: 11.901 ± 0.002 Å
• c: 18.093 ± 0.004 Å
• α: 90.88 ± 0.03°
• β: 96.38 ± 0.03°
• γ: 91.6 ± 0.03°
• Cell volume: 2455.9 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No