Information card for entry 7014586

Structure parameters

• Chemical name: poly-[mu-chlorido-(mu-bis(2-pyrimidyl-disulfide-k2N:N')copper(I)]-methanol (1/1)
• Formula: C16 H12 Cl4 Cu2 N8 S5.8
• Calculated formula: C16 H12 Cl4 Cu2 N8 S5.796
• Title of publication: Unexpected multiple bond cleavage and rearrangement of organosulfide ligands in the presence of Cu(II) assisted by solvothermal and solvothermal-microwave conditions.
• Authors of publication: Delgado, Salomé; Gallego, Almudena; Castillo, Oscar; Zamora, Félix
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 847 - 852
• a: 11.967 ± 0.0006 Å
• b: 6.8657 ± 0.0004 Å
• c: 16.9169 ± 0.0008 Å
• α: 90°
• β: 110.541 ± 0.003°
• γ: 90°
• Cell volume: 1301.55 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No