Information card for entry 7248892

Structure parameters

• Formula: C36 H68 Eu N31 Nd O49
• Calculated formula: C36 H68 Eu N31 Nd O49
• Title of publication: Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril
• Authors of publication: Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 14.4113 ± 0.0006 Å
• b: 13.6182 ± 0.0007 Å
• c: 18.047 ± 0.0009 Å
• α: 90°
• β: 105.589 ± 0.0016°
• γ: 90°
• Cell volume: 3411.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No