Information card for entry 2012382

Structure parameters

• Chemical name: Catena-poly[[(acetonitrile-N)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-N:N']
• Formula: C8 H11 Cl2 Cu N3
• Calculated formula: C8 H11 Cl2 Cu N3
• SMILES: [Cu](Cl)(Cl)([N]#CC)[n]1c(C)c[n](c(c1)C)[Cu](Cl)(Cl)([N]#CC)[n]1c(C)cnc(c1)C
• Title of publication: <i>catena</i>-Poly[[(acetonitrile-<i>N</i>)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Näther, Christian; Greve, Jan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1388 - 1390
• a: 11.653 ± 0.002 Å
• b: 7.3533 ± 0.0012 Å
• c: 13.443 ± 0.002 Å
• α: 90°
• β: 106.19 ± 0.012°
• γ: 90°
• Cell volume: 1106.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes