Information card for entry 2233513

Structure parameters

• Chemical name: <i>cyclo</i>-Tetrakis{μ-2,2'-dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3- diyl]di(1<i>H</i>-benzimidazole)- κ^2^<i>N</i>^3^:<i>N</i>^3'^}tetrakis[bromidocopper(I)]
• Formula: C84 H88 Br12 Cu4 N16
• Calculated formula: C84 H88 Br12 Cu4 N16
• SMILES: Cc1n2CC(Cn3c([n](c4c3cccc4)[Cu]([n]3c(n(CC(Cn4c(C)[n](c5ccccc45)[Cu]([n]4c(C)n(c5ccccc45)CC(Cn4c([n](c5c4cccc5)[Cu]([n]4c(n(CC(Cn5c(C)[n](c6ccccc56)[Cu]([n]1c1c2cccc1)Br)(CBr)CBr)c1c4cccc1)C)Br)C)(CBr)CBr)Br)(CBr)CBr)c1c3cccc1)C)Br)C)(CBr)CBr
• Title of publication: <i>cyclo</i>-Tetrakis{μ-2,2'-dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3-diyl]di(1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^}tetrakis[bromidocopper(I)]
• Authors of publication: Wang, Xing; Liu, Chun-Bo; Yan, Yong-Sheng; Wang, Shen-Tang; Liu, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m153
• a: 11.585 ± 0.002 Å
• b: 12.597 ± 0.003 Å
• c: 15.273 ± 0.003 Å
• α: 77.75 ± 0.03°
• β: 84.88 ± 0.03°
• γ: 89.54 ± 0.03°
• Cell volume: 2169.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes