Information card for entry 7705478

Structure parameters

• Formula: C58.4 H41.2 N2 O12.7 Tm
• Calculated formula: C58.4 H41.2 N2 O12.7 Tm
• 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: 11.5992 ± 0.0005 Å
• b: 13.3015 ± 0.0006 Å
• c: 18.3354 ± 0.0008 Å
• α: 78.343 ± 0.004°
• β: 76.447 ± 0.003°
• γ: 68.722 ± 0.003°
• Cell volume: 2541.2 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No