Information card for entry 2241174

Structure parameters

• Chemical name: Di-μ-iodido-bis[bis(acetonitrile-κ<i>N</i>)copper(I)]
• Formula: C8 H12 Cu2 I2 N4
• Calculated formula: C8 H12 Cu2 I2 N4
• SMILES: C(C)#[N][Cu]12([N]#CC)[I][Cu]2([I]1)([N]#CC)[N]#CC
• Title of publication: Crystal structure of di-μ-iodido-bis[bis(acetonitrile-κ<i>N</i>)copper(I)]
• Authors of publication: Barth, Eva Rebecca; Golz, Christopher; Knorr, Michael; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: m189 - m190
• a: 7.669 ± 0.003 Å
• b: 14.367 ± 0.005 Å
• c: 7.944 ± 0.003 Å
• α: 90°
• β: 116.957 ± 0.005°
• γ: 90°
• Cell volume: 780.2 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0223
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes