Information card for entry 7719841

Structure parameters

• Formula: C36 H44 N7 O9 Y
• Calculated formula: C36 H44 N7 O9 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: 12.4815 ± 0.0012 Å
• b: 7.6027 ± 0.0006 Å
• c: 38.132 ± 0.003 Å
• α: 90°
• β: 95.013 ± 0.003°
• γ: 90°
• Cell volume: 3604.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No