Information card for entry 1507243

Structure parameters

• Common name: 6b
• Chemical name: [1,1'-bis(1-butylbenzimidazol-2-yl) pentane]copper(II) dichloride
• Formula: C27 H36 Cl2 Cu N4
• Calculated formula: C27 H36 Cl2 Cu N4
• SMILES: [Cu]1(Cl)(Cl)[n]2c(n(c3c2cccc3)CCCC)C(CCCC)c2n(c3c([n]12)cccc3)CCCC
• Title of publication: Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts
• Authors of publication: Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A.
• Journal of publication: Macromolecules
• Year of publication: 2003
• Journal volume: 36
• Journal issue: 23
• Pages of publication: 8584
• a: 13.54 ± 0.002 Å
• b: 14.597 ± 0.002 Å
• c: 13.972 ± 0.002 Å
• α: 90°
• β: 97.63 ± 0.02°
• γ: 90°
• Cell volume: 2737 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1948
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No