Information card for entry 2218055

Structure parameters

• Chemical name: poly[bis[chloridocopper(I)]-μ~4~- -μ-1,4-bis[1-(3-pyridylmethyl)-1<i>H</i>-benzimidazol-2-yl]butane]
• Formula: C30 H28 Cl2 Cu2 N6
• Calculated formula: C30 H28 Cl2 Cu2 N6
• SMILES: [Cu]1([n]2c3CCCCc4[n]([Cu](Cl)[n]5cccc(Cn6c7CCCCc8[n]([Cu]([n]9cccc(Cn3c3c2cccc3)c9)Cl)c2c(cccc2)n8Cc2ccc[n](c2)[Cu]([n]2c(CCCCc3[n]([Cu]Cl)c8c(cccc8)n3Cc3ccc[n]([Cu]([n]7c7c6cccc7)Cl)c3)n(c3c2cccc3)Cc2cccnc2)Cl)c5)c2c(cccc2)n4Cc2ccc[n](c2)[Cu]([n]2c(CCCCc3[n]([Cu]Cl)c4c(cccc4)n3Cc3ccc[n]1c3)n(c1c2cccc1)Cc1cccnc1)Cl)Cl
• Title of publication: Poly[bis[chloridocopper(I)]-μ~4~-1,4-bis[1-(3-pyridylmethyl)-1<i>H</i>-benzimidazol-2-yl]butane]
• Authors of publication: Zhang, Wei-Ping; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m641
• a: 9.4792 ± 0.0011 Å
• b: 17.81 ± 0.002 Å
• c: 17.326 ± 0.002 Å
• α: 90°
• β: 97.412 ± 0.002°
• γ: 90°
• Cell volume: 2900.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1408
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes