Information card for entry 1571154

Structure parameters

• Common name: 3b in manuscript
• Formula: C8 H4 N2 Se2
• Calculated formula: C8 H4 N2 Se2
• Title of publication: Synthesis and structural properties of <i>para</i>-diselenopyrazines.
• Authors of publication: Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 28
• Pages of publication: 3786 - 3789
• a: 4.1984 ± 0.0007 Å
• b: 8.1335 ± 0.0012 Å
• c: 12.0157 ± 0.0018 Å
• α: 90°
• β: 96.9877 ± 0.0019°
• γ: 90°
• Cell volume: 407.26 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No