Information card for entry 7718814

Structure parameters

• Formula: C91.25 H94 F6 N14 O0.25 P S
• Calculated formula: C91.25 H94 F6 N14 O0.25 P S
• Title of publication: Self-assembled multidye-sensitized erbium single molecules for boosting energy transfer light upconversion in solution.
• Authors of publication: Alves, Filipe; Taarit, Inès; Guénée, Laure; Piguet, Claude
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 25
• Pages of publication: 9937 - 9948
• a: 14.55269 ± 0.00018 Å
• b: 17.0818 ± 0.0003 Å
• c: 20.3355 ± 0.0002 Å
• α: 65.7564 ± 0.0012°
• β: 69.7158 ± 0.0011°
• γ: 74.9477 ± 0.0012°
• Cell volume: 4282.56 ± 0.11 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2832
• Weighted residual factors for all reflections included in the refinement: 0.294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No