Information card for entry 2235233

Structure parameters

• Chemical name: Tetra-μ~3~-iodido-tetrakis{[ethyl 2-(1<i>H</i>-benzimidazol-1-yl)acetate-κ<i>N</i>^3^]copper(I)}
• Formula: C44 H48 Cu4 I4 N8 O8
• Calculated formula: C44 H48 Cu4 I4 N8 O8
• SMILES: [I]12[Cu]3456([I]7[Cu]8913([n]1c3ccccc3n(c1)CC(=O)OCC)[I]1[Cu]3258([I]4[Cu]67913[n]1c2ccccc2n(c1)CC(=O)OCC)[n]1c2ccccc2n(c1)CC(=O)OCC)[n]1c2ccccc2n(c1)CC(=O)OCC
• Title of publication: Tetra-μ~3~-iodido-tetrakis{[ethyl 2-(1<i>H</i>-benzimidazol-1-yl)acetate-κ<i>N</i>^3^]copper(I)}
• Authors of publication: Yang, Lili; Zhang, Zhengyi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m796
• a: 21.196 ± 0.011 Å
• b: 21.196 ± 0.011 Å
• c: 11.581 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5203 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes