Information card for entry 7000447

Structure parameters

• Formula: C8 H7 Cu I S
• Calculated formula: C8 H7 Cu I S
• Title of publication: Rigidity effect of the dithioether spacer on the size of the luminescent cluster (Cu2I2)n (n = 2, 3) in their coordination polymers
• Authors of publication: Knorr, Michael; Guyon, Fabrice; Khatyr, Abderrahim; Däschlein, Christian; Strohmann, Carsten; Aly, Shawkat M.; Abd-El-Aziz, Alaa S.; Fortin, Daniel; Harvey, Pierre D.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 948 - 955
• a: 25.904 ± 0.003 Å
• b: 25.904 ± 0.003 Å
• c: 7.2277 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4200.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No