Information card for entry 7011406

Structure parameters

• Formula: C28 H32 Cu4 I4 N4 S2
• Calculated formula: C28 H32 Cu4 I4 N4 S2
• SMILES: c1(cccc2CS34Cc5cccc([n]5[Cu]563[I][Cu]36([I]5)[n]5c(cccc5CS53Cc3cccc([n]3[Cu]365[I][Cu]46([I]3)[n]12)C)C)C)C
• Title of publication: Methyl group influence on the formation of CuI complexes with thio-pyridine ligands
• Authors of publication: Paula L. Caradoc-Davies; Lyall R. Hanton; Justin M. Hodgkiss; Mark D. Spicer
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1581 - 1585
• a: 9.351 ± 0.005 Å
• b: 10.314 ± 0.005 Å
• c: 10.441 ± 0.005 Å
• α: 105.338 ± 0.005°
• β: 102.112 ± 0.005°
• γ: 102.073 ± 0.005°
• Cell volume: 911.3 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No