Information card for entry 7707159

Structure parameters

• Formula: C53 H89 Er F6 N8 O18 S2
• Calculated formula: C53 H89 Er F6 N8 O18 S2
• Title of publication: Molecular light-upconversion: we have had a problem! When excited state absorption (ESA) overcomes energy transfer upconversion (ETU) in Cr(III)/Er(III) complexes.
• Authors of publication: Golesorkhi, Bahman; Taarit, Inès; Bolvin, Hélène; Nozary, Homayoun; Jiménez, Juan-Ramón; Besnard, Céline; Guénée, Laure; Fürstenberg, Alexandre; Piguet, Claude
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 7955 - 7968
• a: 12.07717 ± 0.00009 Å
• b: 23.7428 ± 0.0002 Å
• c: 24.7043 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7083.86 ± 0.1 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No