Information card for entry 7063988

Structure parameters

• Formula: C52 H64 Er N4 O6 P
• Calculated formula: C52 H64 Er N4 O6 P
• Title of publication: Crystal chemistry and luminescence properties of tetrabutylphosphonium tetrakis(8-quinolinato)lanthanidate [P4444][Ln(Q)4]·2X (X = H2O and (CH3)2CO)
• Authors of publication: Kammereck, Stefanie; Bousrez, Guillaume; Renier, Olivier; Paterlini, Veronica; Smetana, Volodymyr; Mudring, Anja-Verena
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 38
• Pages of publication: 16493 - 16500
• a: 24.1173 ± 0.0015 Å
• b: 18.9621 ± 0.0013 Å
• c: 10.6235 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4858.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No