Information card for entry 7249122

Structure parameters

• Chemical name: Crown6KHSeO4_2H2O
• Formula: C12 H29 K O12 Se
• Calculated formula: C12 H29 K O12 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: 14.4882 ± 0.0005 Å
• b: 17.5369 ± 0.0005 Å
• c: 8.4421 ± 0.0003 Å
• α: 90°
• β: 100.351 ± 0.003°
• γ: 90°
• Cell volume: 2110.04 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No