Information card for entry 2214552

Structure parameters

• Chemical name: N,N'-Bis(1,3-dimethylimidazolidin-2-ylidene)-2,2'-dithiodianiline
• Formula: C22 H28 N6 S2
• Calculated formula: C22 H28 N6 S2
• SMILES: S(Sc1ccccc1N=C1N(C)CCN1C)c1c(\N=C2N(C)CCN\2C)cccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(1,3-dimethylimidazolidin-2-ylidene)-2,2'-dithiodianiline
• 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: 8
• Pages of publication: o3476 - o3477
• a: 8.2794 ± 0.0012 Å
• b: 10.1065 ± 0.0014 Å
• c: 13.7018 ± 0.0019 Å
• α: 90°
• β: 104.333 ± 0.003°
• γ: 90°
• Cell volume: 1110.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes