Information card for entry 7711396

Structure parameters

• Formula: C51.5 H107 Na13 O11
• Calculated formula: C51.5 H107 Na13 O11
• Title of publication: Size- and shape-adaptable mixed-alkoxide-aggregates: encapsulation of tetrafluoroborate and butadiynediide.
• Authors of publication: Cebi, Erkam; Streit, Sarah Marie; Klett, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 19.484 ± 0.004 Å
• b: 19.062 ± 0.004 Å
• c: 38.558 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14321 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No