Information card for entry 4339994

Structure parameters

• Formula: Cl16 Se4
• Calculated formula: Cl16 Se4
• SMILES: [Se]12([Cl]3[Se]4([Cl]1[Se]1([Cl]4[Se]3([Cl]21)(Cl)(Cl)Cl)(Cl)(Cl)Cl)(Cl)(Cl)Cl)(Cl)(Cl)Cl
• 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: 16.287 ± 0.003 Å
• b: 9.765 ± 0.002 Å
• c: 14.746 ± 0.003 Å
• α: 90°
• β: 117.01 ± 0.03°
• γ: 90°
• Cell volume: 2089.4 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No