Information card for entry 7713302

Structure parameters

• Formula: C18 H40 Cl14 N2 O6 Se6
• Calculated formula: C18 H40 Cl14 N2 O6 Se6
• Title of publication: Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.
• Authors of publication: Bonnin, Maxime A.; Feldmann, Claus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 10.9462 ± 0.0009 Å
• b: 14.9569 ± 0.0017 Å
• c: 14.035 ± 0.0012 Å
• α: 90°
• β: 101.413 ± 0.006°
• γ: 90°
• Cell volume: 2252.4 ± 0.4 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• 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: 0.0314
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No