Information card for entry 4330382

Structure parameters

• Formula: C25.5 H30 Cu2 I2 S3
• Calculated formula: C25.5 H30 Cu2 I2 S3
• Title of publication: Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks
• Authors of publication: Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9917 - 9934
• a: 29.557 ± 0.006 Å
• b: 11.658 ± 0.002 Å
• c: 19.257 ± 0.004 Å
• α: 90°
• β: 119.67 ± 0.03°
• γ: 90°
• Cell volume: 5766 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No