Information card for entry 7705474

Structure parameters

• Formula: C45 H30 N2 O12.5 Tb
• Calculated formula: C45 H30 N2 O12.5 Tb
• Title of publication: Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.
• Authors of publication: Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13671 - 13684
• a: 11.0672 ± 0.0007 Å
• b: 13.0523 ± 0.0008 Å
• c: 14.2639 ± 0.0009 Å
• α: 104.5 ± 0.005°
• β: 92.593 ± 0.005°
• γ: 98.423 ± 0.005°
• Cell volume: 1966.1 ± 0.2 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.069
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No