Information card for entry 7227080

Structure parameters

• Formula: C44 H34 Er2 N4 O18 S4
• Calculated formula: C44 H34 Er2 N4 O18 S4
• Title of publication: Luminescence, Chemical Sensing and Mechanical Properties of Crystalline Materials Based on Lanthanide-Sulfonate Coordination Polymers
• Authors of publication: D'Vries, Richard Fernando; Gómez, Germán; Lionello, Diego E.; Fuertes, Cecilia; Soler-Illia, Galo; Ellena, Javier A.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 14.2425 ± 0.0008 Å
• b: 17.0358 ± 0.0009 Å
• c: 18.8857 ± 0.001 Å
• α: 90°
• β: 99.03 ± 0.002°
• γ: 90°
• Cell volume: 4525.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0349
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No