Information card for entry 7715875

Structure parameters

• Formula: C21 H23 Cs3 N3 O21 Sm
• Calculated formula: C21 H23 Cs3 N3 O21 Sm
• Title of publication: Contrasting Impact of Coordination Polyhedra and Site Symmetry on the Electronic Energy Levels in Nine-coordinated Eu(III) and Sm(III) Crystals Structures Determined from Single Crystal Luminescence Spectra
• Authors of publication: Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.0017 ± 0.0013 Å
• b: 18.033 ± 0.003 Å
• c: 18.53 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3342.1 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No