Information card for entry 4338999

Structure parameters

• Formula: C14 H22 N4 S2
• Calculated formula: C14 H22 N4 S2
• SMILES: S(Sc1nccn1C(C)(C)C)c1nccn1C(C)(C)C
• Title of publication: Applications of bis(1-R-imidazol-2-yl)disulfides and diselenides as ligands for main-group and transition metals: kappa2-(N,N) coordination, S-S bond cleavage, and S-S/E-E (E = S, Se) bond metathesis reactions.
• Authors of publication: Figueroa, Joshua S.; Yurkerwich, Kevin; Melnick, Jonathan; Buccella, Daniela; Parkin, Gerard
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9234 - 9244
• a: 13.0132 ± 0.0011 Å
• b: 11.9125 ± 0.001 Å
• c: 21.4092 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3318.8 ± 0.5 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No