Information card for entry 1507241

Structure parameters

• Common name: 5
• Chemical name: [1,1'-bis(1-methylbenzimidazol-2-yl) -1''-(methoxy)ethane]copper(II) dichloride
• Formula: C19 H20 Cl2 Cu N4 O
• Calculated formula: C19 H20 Cl2 Cu N4 O
• SMILES: [Cu]1(Cl)(Cl)[n]2c(n(c3c2cccc3)C)C(c2[n]1c1ccccc1n2C)(OC)C
• 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: 14.036 ± 0.001 Å
• b: 16.258 ± 0.001 Å
• c: 17.012 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3882.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1049
• 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: Yes
• Has Fobs: No