Information card for entry 7249124

Structure parameters

• Chemical name: Crown6RbHSeO4_H2O
• Formula: C12 H27 O11 Rb Se
• Calculated formula: C12 H27 O11 Rb Se
• Title of publication: Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors
• Authors of publication: Ocak, Samet; Braga, Dario; d'Agostino, Simone
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 33
• Pages of publication: 4525 - 4532
• a: 22.1681 ± 0.0014 Å
• b: 9.9047 ± 0.0004 Å
• c: 20.5896 ± 0.0012 Å
• α: 90°
• β: 117.183 ± 0.008°
• γ: 90°
• Cell volume: 4021.5 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No