Information card for entry 7719340

Structure parameters

• Formula: C46 H48 Er N13 O20
• Calculated formula: C46 H48 Er N13 O20
• Title of publication: Near-infrared emissive mononuclear lanthanide(III) complexes based on chiral Schiff base ligands: synthesis, crystal structure, luminescence, and magnetic properties.
• Authors of publication: Jeong, Yuri; Le, Ngoc Tram Anh; Ju, Jeyun; Olshevskaia, Iuliia; Cho, Daeheum; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 38
• Pages of publication: 14533 - 14546
• a: 13.3689 ± 0.0016 Å
• b: 13.3689 ± 0.0016 Å
• c: 49.867 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7719 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No