Information card for entry 7715876

Structure parameters

• Formula: C16 H34 N4 Na O13 Sm
• Calculated formula: C16 H34 N4 Na O13 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 (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10079 - 10092
• a: 8.6233 ± 0.0008 Å
• b: 9.1615 ± 0.0008 Å
• c: 15.6526 ± 0.0014 Å
• α: 82.938 ± 0.003°
• β: 84.975 ± 0.003°
• γ: 80.994 ± 0.003°
• Cell volume: 1209.13 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No