Information card for entry 7719350

Structure parameters

• Formula: C61 H123 Mg N7 Na4 O S Si6
• Calculated formula: C61 H123 Mg N7 Na4 O S 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: 12.5264 ± 0.0004 Å
• b: 15.7132 ± 0.0003 Å
• c: 21.553 ± 0.0005 Å
• α: 87.022 ± 0.002°
• β: 81.394 ± 0.002°
• γ: 72.168 ± 0.002°
• Cell volume: 3992.91 ± 0.18 ų
• Cell temperature: 99.97 ± 0.1 K
• Ambient diffraction temperature: 99.97 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No