Information card for entry 7719352

Structure parameters

• Formula: C61 H123 Mg N5 Na4 Se Si6
• Calculated formula: C61 H123 Mg N5 Na4 Se Si6
• Title of publication: Redox-active inverse crowns - pockets for heavier chalcogenides.
• Authors of publication: Maurer, Johannes; Klerner, Lukas; Langer, Jens; Harder, Sjoerd
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 37
• Pages of publication: 13950 - 13957
• a: 12.165 ± 0.0001 Å
• b: 27.8494 ± 0.0002 Å
• c: 22.5057 ± 0.0002 Å
• α: 90°
• β: 98.272 ± 0.001°
• γ: 90°
• Cell volume: 7545.33 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No