Information card for entry 2219064

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2,2'-bipyrimidine- κ^2^<i>N</i>^1^,<i>N</i>^1'^)diperchloratocopper(II)]- μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
• Formula: C18 H14 Cl2 Cu N6 O8
• Calculated formula: C18 H14 Cl2 Cu N6 O8
• SMILES: [Cu]1([n]2cccnc2c2[n]1cccn2)([n]1ccc(cc1)c1ccncc1)(OCl(=O)(=O)=O)(OCl(=O)(=O)=O)[n]1ccc(c2cc[n]([Cu]3([n]4cccnc4c4[n]3cccn4)(OCl(=O)(=O)=O)OCl(=O)(=O)=O)cc2)cc1
• Title of publication: <i>catena</i>-Poly[[(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)diperchloratocopper(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Xu, Wei; Lin, Jian-Li; Xie, Hong-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1031
• a: 11.334 ± 0.002 Å
• b: 14.266 ± 0.003 Å
• c: 13.299 ± 0.003 Å
• α: 90°
• β: 96.55 ± 0.03°
• γ: 90°
• Cell volume: 2136.3 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes