Information card for entry 7246840

Structure parameters

• Formula: C36 H69 Eu2 N31 O49
• Calculated formula: C36 H69 Eu2 N31 O49
• Title of publication: Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application
• Authors of publication: Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 3460 - 3471
• a: 13.42009 ± 0.00018 Å
• b: 14.43599 ± 0.00018 Å
• c: 18.2561 ± 0.0002 Å
• α: 73.8067 ± 0.0011°
• β: 87.3433 ± 0.0011°
• γ: 87.7224 ± 0.0011°
• Cell volume: 3391.5 ± 0.07 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No