Information card for entry 7041308

Structure parameters

• Formula: C20 H32 Ba F6 O12 S2 Si2
• Calculated formula: C20 H32 Ba F6 O12 S2 Si2
• Title of publication: A structural study of alkaline earth metal complexes with hybrid disila-crown ethers
• Authors of publication: Dankert, Fabian; Reuter, Kirsten; Donsbach, Carsten; von Hänisch, Carsten
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.0173 ± 0.0004 Å
• b: 10.3761 ± 0.0005 Å
• c: 35.6495 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3335.5 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No