Information card for entry 7713303

Structure parameters

• Formula: C8 H15 Cl15 N2 O Se4
• Calculated formula: C8 H15 Cl15 N2 O Se4
• 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: 16.7567 ± 0.0012 Å
• b: 21.2461 ± 0.001 Å
• c: 16.9058 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6018.7 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No