Information card for entry 7715991

Structure parameters

• Formula: C85 H76 N3 O2 S2 Yb
• Calculated formula: C85 H76 N3 O2 S2 Yb
• Title of publication: Gradual solid-state redox-isomerism in the lanthanide series.
• Authors of publication: Lukina, Daria A.; Skatova, Alexandra A.; Rumyantcev, Roman V.; Demeshko, Serhiy V.; Meyer, Franc; Fedushkin, Igor L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 13.6757 ± 0.0005 Å
• b: 25.5176 ± 0.0009 Å
• c: 20.2107 ± 0.0007 Å
• α: 90°
• β: 91.5527 ± 0.0011°
• γ: 90°
• Cell volume: 7050.4 ± 0.4 ų
• Cell temperature: 350 ± 2 K
• Ambient diffraction temperature: 350 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No