Information card for entry 7716633

Structure parameters

• Formula: C91 H110 N6 Yb3
• Calculated formula: C91 H110 N6 Yb3
• Title of publication: Reduction of hexaazatrinaphthylenes by divalent lanthanocenes leads to ligand-based multiconfigurational properties.
• Authors of publication: Temple, Siobhan R.; Tang, Jinkui; Tizzard, Graham J.; Mansikkamäki, Akseli; Layfield, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12460 - 12464
• a: 17.6582 ± 0.0001 Å
• b: 23.6916 ± 0.0002 Å
• c: 18.1535 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7594.54 ± 0.09 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No