Information card for entry 1571152

Structure parameters

• Common name: 2a in manuscript
• Formula: C26 H42 Cl2 N2 Si2
• Calculated formula: C26 H42 Cl2 N2 Si2
• SMILES: c1(nc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(nc1C#C[Si](C(C)C)(C(C)C)C(C)C)Cl)Cl
• 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: 10.53 ± 0.002 Å
• b: 10.929 ± 0.002 Å
• c: 12.931 ± 0.004 Å
• α: 90°
• β: 96.525 ± 0.004°
• γ: 90°
• Cell volume: 1478.5 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No