Information card for entry 4338996

Structure parameters

• Formula: C15 H24 Cl3 Cu N4 S2
• Calculated formula: C15 H24 Cl3 Cu N4 S2
• SMILES: [Cu]1(Cl)[n]2c(SSc3[n]1ccn3C(C)(C)C)n(cc2)C(C)(C)C.C(Cl)Cl
• 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: 9.625 ± 0.0017 Å
• b: 9.6646 ± 0.0018 Å
• c: 11.838 ± 0.002 Å
• α: 100.645 ± 0.003°
• β: 100.726 ± 0.003°
• γ: 91.95 ± 0.003°
• Cell volume: 1060.7 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No