Information card for entry 1507242

Structure parameters

• Common name: 5-H2O
• Chemical name: [[1,1'-bis(1-methylbenzimidazol-2-yl) -1''-(methoxy)ethane]copper(II) dichloride] water
• Formula: C19 H22 Cl2 Cu N4 O2
• Calculated formula: C19 H22 Cl2 Cu N4 O2
• SMILES: [Cu]1([n]2c3c(n(C)c2C(OC)(c2n(C)c4c([n]12)cccc4)C)cccc3)(Cl)Cl.O
• 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: 9.195 ± 0.0007 Å
• b: 10.6666 ± 0.0009 Å
• c: 11.7048 ± 0.001 Å
• α: 68.734 ± 0.006°
• β: 72.373 ± 0.007°
• γ: 76.602 ± 0.006°
• Cell volume: 1009.95 ± 0.15 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1058
• 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: No