Information card for entry 7249125

Structure parameters

• Chemical name: Cr6KHSeO4
• Formula: C12 H25 K O10 Se
• Calculated formula: C12 H25 K O10 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: 10.3653 ± 0.0005 Å
• b: 8.5649 ± 0.0006 Å
• c: 21.582 ± 0.0014 Å
• α: 90°
• β: 100.137 ± 0.005°
• γ: 90°
• Cell volume: 1886.1 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.2256
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No