Information card for entry 7041309

Structure parameters

• Formula: C16 H32 Ba F6 O12 S2 Si2
• Calculated formula: C16 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: 9.7531 ± 0.0004 Å
• b: 17.5485 ± 0.0008 Å
• c: 18.5666 ± 0.0008 Å
• α: 72.504 ± 0.001°
• β: 86.902 ± 0.002°
• γ: 89.549 ± 0.001°
• Cell volume: 3026.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No