Information card for entry 7715231

Structure parameters

• Formula: C74 H111 N2 O8 Pr
• Calculated formula: C74 H108 N2 O8 Pr
• Title of publication: Coordination-triggered redox activity of early and late lanthanide calix[4]arene complexes.
• Authors of publication: Jiao, Yushu; Sanz, Sergio; Koláčná, Lucie; van Leusen, Jan; Izarova, Natalya V.; Sarwar, Sidra; Ludvík, Jiří; Kögerler, Paul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 4930 - 4936
• a: 23.746 ± 0.005 Å
• b: 16.124 ± 0.003 Å
• c: 21.064 ± 0.004 Å
• α: 90°
• β: 120.16 ± 0.03°
• γ: 90°
• Cell volume: 6973 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No