Information card for entry 2222676

Structure parameters

• Chemical name: tetra-μ~3~-iodido-tetrakis[(benzyldimethylamine-κ<i>N</i>)copper(I)]
• Formula: C36 H52 Cu4 I4 N4
• Calculated formula: C36 H52 Cu4 I4 N4
• SMILES: [Cu]12345([Cu]6789([Cu]%10%111([Cu]26([I]37)([I]4%10)([I]8%11)[N](C)(C)Cc1ccccc1)([I]59)[N](C)(C)Cc1ccccc1)[N](C)(C)Cc1ccccc1)[N](C)(C)Cc1ccccc1
• Title of publication: A new coordination tetramer of copper(I) iodide and benzyldimethylamine: tetra-μ~3~-iodido-tetrakis[(benzyldimethylamine-κ<i>N</i>)copper(I)]
• Authors of publication: Yang, Shuying; Li, Yuebao; Cui, Yujie; Pan, Jianguo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m906
• a: 17.758 ± 0.004 Å
• b: 11.544 ± 0.002 Å
• c: 21.54 ± 0.004 Å
• α: 90°
• β: 100.16 ± 0.03°
• γ: 90°
• Cell volume: 4346.4 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0592
• 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: Yes