Information card for entry 4333439

Structure parameters

• Formula: C14 H22 Cu I N4 S2
• Calculated formula: C14 H22 Cu I N4 S2
• SMILES: I[Cu]1[n]2c(SSc3[n]1ccn3C(C)(C)C)n(cc2)C(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: 9.2589 ± 0.0008 Å
• b: 9.9669 ± 0.0009 Å
• c: 10.8822 ± 0.0009 Å
• α: 85.774 ± 0.002°
• β: 89.877 ± 0.002°
• γ: 70.033 ± 0.001°
• Cell volume: 941.02 ± 0.14 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: 0.1452
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.3153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No