Information card for entry 7717465

Structure parameters

• Formula: C52 H58 N8 O16 Sm2
• Calculated formula: C52 H58 N8 O16 Sm2
• Title of publication: Solvatomorphic Phase Transitions and Tunable Luminescence Emission in Lanthanide Metal-Organic Frameworks
• Authors of publication: Vasileva, Alena A.; Demakov, Pavel A.; Guselnikova, Tatiana Y.; Ryadun, Alexey A.; Fedin, Vladimir P.; Dybtsev, Danil N.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 13.0555 ± 0.0007 Å
• b: 13.9456 ± 0.0007 Å
• c: 15.9707 ± 0.0007 Å
• α: 88.323 ± 0.004°
• β: 68.432 ± 0.004°
• γ: 86.135 ± 0.004°
• Cell volume: 2698 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No