Information card for entry 2226580

Structure parameters

• Chemical name: Dibromido[1,1'-dibutyl-2,2'-(pentane-1,1-diyl)di-1<i>H</i>- benzimidazole]copper(II)
• Formula: C27 H36 Br2 Cu N4
• Calculated formula: C27 H36 Br2 Cu N4
• SMILES: [Cu]1(Br)(Br)[n]2c(n(c3c2cccc3)CCCC)C(CCCC)c2n(c3c([n]12)cccc3)CCCC
• Title of publication: Dibromido[1,1'-dibutyl-2,2'-(pentane-1,1-diyl)di-1<i>H</i>-benzimidazole]copper(II)
• Authors of publication: Stibrany, Robert T.; Potenza, Joseph A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m767 - m768
• a: 13.521 ± 0.002 Å
• b: 14.604 ± 0.003 Å
• c: 13.881 ± 0.002 Å
• α: 90°
• β: 96.636 ± 0.003°
• γ: 90°
• Cell volume: 2722.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes