Information card for entry 7026639

Structure parameters

• Formula: C22 H20 Br4 Cu2 N4 S4
• Calculated formula: C22 H20 Br4 Cu2 N4 S4
• SMILES: Br[Cu]1([n]2c(cccc2)SCSc2cccc[n]2[Cu]([n]2c(cccc2)SCSc2cccc[n]12)(Br)Br)Br
• Title of publication: Metal coordination and in situ S-C bond cleavage of the bis(2-pyridylthio)methane ligand.
• Authors of publication: Belén Lago, Ana; Amoedo, Almudena; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10076 - 10087
• a: 12.097 ± 0.006 Å
• b: 8.801 ± 0.005 Å
• c: 15.687 ± 0.007 Å
• α: 90°
• β: 120.36 ± 0.03°
• γ: 90°
• Cell volume: 1441.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2102
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No