Information card for entry 4339989

Structure parameters

• Formula: C6 H10 O10 Se2
• Calculated formula: C6 H10 O10 Se2
• SMILES: C12O[Se](OC1O[Se](O2)(=O)=O)(=O)=O.C1COCCO1
• Title of publication: Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.
• Authors of publication: Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6569 - 6577
• a: 11.9569 ± 0.0004 Å
• b: 5.4306 ± 0.0001 Å
• c: 17.4707 ± 0.0008 Å
• α: 90°
• β: 94.222 ± 0.005°
• γ: 90°
• Cell volume: 1131.35 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0129
• Residual factor for significantly intense reflections: 0.0124
• Weighted residual factors for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.0327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No