Information card for entry 7133962

Structure parameters

• Formula: C50 H72 Mg N3 S2
• Calculated formula: C50 H72 Mg N3 S2
• Title of publication: Radical anions of 1,1-azoliumdithiocarboxylates
• Authors of publication: Luff, Martin Simon; Oppel, Kai; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.6763 ± 0.0002 Å
• b: 19.9981 ± 0.0003 Å
• c: 11.7538 ± 0.0002 Å
• α: 90°
• β: 109.747 ± 0.002°
• γ: 90°
• Cell volume: 2361.93 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No