Information card for entry 7717462

Structure parameters

• Formula: C46 H50 N8 O16 Sm2
• Calculated formula: C45.9994 H49.9986 N7.9998 O15.9998 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: 10.3761 ± 0.0003 Å
• b: 10.7077 ± 0.0003 Å
• c: 12.8832 ± 0.0004 Å
• α: 68.299 ± 0.003°
• β: 68.228 ± 0.002°
• γ: 81.243 ± 0.002°
• Cell volume: 1234.87 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0262
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No