Information card for entry 2240686

Structure parameters

• Chemical name: <i>catena</i>-Poly[[chlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-chlorido]
• Formula: C12 H12 Cl2 Cu N2
• Calculated formula: C12 H12 Cl2 Cu N2
• SMILES: [Cu]1(Cl)(Cl)([n]2ccc(C)cc2c2cc(C)cc[n]12)[Cl][Cu]1(Cl)[n]2ccc(C)cc2c2cc(C)cc[n]12
• Title of publication: Crystal structure of <i>catena</i>-poly[[chlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-chlorido]
• Authors of publication: Nita, Rafaela; Deschamps, Jeffrey R.; Trammell, Scott A.; Knight, D. Andrew
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 624 - 627
• a: 9.1101 ± 0.0006 Å
• b: 20.0087 ± 0.0012 Å
• c: 7.1231 ± 0.0004 Å
• α: 90°
• β: 110.491 ± 0.002°
• γ: 90°
• Cell volume: 1216.25 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes