Information card for entry 7249126

Structure parameters

• Chemical name: Cr6CsHSeO4_H2O
• Formula: C12 H24 Cs O11 Se
• Calculated formula: C12 H24 Cs O11 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: 23.7101 ± 0.0016 Å
• b: 8.4597 ± 0.0007 Å
• c: 21.3553 ± 0.0018 Å
• α: 90°
• β: 109.486 ± 0.009°
• γ: 90°
• Cell volume: 4038.1 ± 0.6 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2828
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No