Information card for entry 7200215

Structure parameters

• Common name: T2CN2
• Formula: C10 H4 N2 S2
• Calculated formula: C10 H4 N2 S2
• SMILES: c1(ccc(s1)c1ccc(C#N)s1)C#N
• Title of publication: 5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)
• Authors of publication: MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 160
• a: 3.809 ± 0.0002 Å
• b: 7.4518 ± 0.0004 Å
• c: 8.2086 ± 0.0005 Å
• α: 87.936 ± 0.001°
• β: 85.485 ± 0.001°
• γ: 82.126 ± 0.001°
• Cell volume: 230 ± 0.02 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No