Information card for entry 7032639

Structure parameters

• Formula: C18 H12 Cu2 I N6 S2
• Calculated formula: C18 H12 Cu2 I N6 S2
• SMILES: [Cu]1234[Cu]5([I]1)(Sc1[n]4c(c4[n]3cccc4)ccn1)[n]1ccccc1c1[n]5c(S2)ncc1
• Title of publication: Unprecedented metal-mediated in situ reactions of heterocyclic disulfide of di[4-(pyridin-2-yl)pyrimidinyl]disulfide.
• Authors of publication: Zhu, Hai-Bin; Wu, Yan-Fang; Zhao, Yue; Hu, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17156 - 17162
• a: 7.36 ± 0.004 Å
• b: 17.468 ± 0.009 Å
• c: 17.955 ± 0.009 Å
• α: 63.248 ± 0.005°
• β: 82.315 ± 0.006°
• γ: 86.261 ± 0.006°
• Cell volume: 2042.7 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No