Information card for entry 7713298

Structure parameters

• Formula: C16 H30 Cl4 N4 O Se
• Calculated formula: C16 H30 Cl4 N4 O Se
• SMILES: [Se](Cl)(Cl)(Cl)(Cl)=O.n1(c[n+](cc1)CCCC)C.n1(cc[n+](CCCC)c1)C
• 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: 8.57 ± 0.004 Å
• b: 8.857 ± 0.004 Å
• c: 9.228 ± 0.004 Å
• α: 73.69 ± 0.03°
• β: 72.73 ± 0.03°
• γ: 63.57 ± 0.03°
• Cell volume: 589.8 ± 0.5 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.608
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No