Information card for entry 7719843

Structure parameters

• Formula: C34 H40 N7 O11 Y
• Calculated formula: C34 H40 N7 O11 Y
• Title of publication: Photochromic macrocyclic complexes of yttrium(III) undergoing merocyanine to spiropyran isomerization as models for single-molecule magnet switch candidates.
• Authors of publication: El Beyrouti, Nour; Hamon, Nadège; Caussin, Louis; Fréroux, Yoann; Dallon, Marie; Roisnel, Thierry; Le Guennic, Boris; Rigaut, Stéphane; Tripier, Raphaël; Norel, Lucie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 17196 - 17203
• a: 9.4468 ± 0.001 Å
• b: 15.103 ± 0.002 Å
• c: 16.446 ± 0.002 Å
• α: 84.413 ± 0.004°
• β: 76.829 ± 0.004°
• γ: 76.662 ± 0.004°
• Cell volume: 2220.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No