Information card for entry 2216300

Structure parameters

• Chemical name: 2',2'-(2,2'-Dithiodiphenylene)bis(1,1,3,3-tetramethylguanidine)
• Formula: C22 H32 N6 S2
• Calculated formula: C22 H32 N6 S2
• SMILES: S(Sc1ccccc1N=C(N(C)C)N(C)C)c1c(N=C(N(C)C)N(C)C)cccc1
• Title of publication: 2',2'-(2,2'-Dithiodiphenylene)bis(1,1,3,3-tetramethylguanidine)
• Authors of publication: Neuba, Adam; Flörke, Ulrich; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4661 - o4661
• a: 10.5755 ± 0.0015 Å
• b: 20.287 ± 0.003 Å
• c: 12.1172 ± 0.0017 Å
• α: 90°
• β: 115.63 ± 0.003°
• γ: 90°
• Cell volume: 2343.9 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes