Information card for entry 2011348

Structure parameters

• Chemical name: catena-(μ~2~-4,4'-bipyridine)(1,10-phenanthroline)(diperchlorato)copper(II) monohydrate
• Formula: C22 H18 Cl2 Cu N4 O9
• Calculated formula: C22 H18 Cl2 Cu N4 O9
• SMILES: [Cu]1(OCl(=O)(=O)=O)(OCl(=O)(=O)=O)([n]2c3c(ccc2)ccc2ccc[n]1c32)([n]1ccc(cc1)c1ccncc1)[n]1ccc(c2cc[n]([Cu]3(OCl(=O)(=O)=O)(OCl(=O)(=O)=O)[n]4c5c(ccc4)ccc4ccc[n]3c54)cc2)cc1.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(perchlorato-<i>O</i>)(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II)]-μ-4,4'-bipyridine-<i>N</i>:<i>N</i>'] monohydrate]
• Authors of publication: Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e374 - e375
• a: 12.553 ± 0.001 Å
• b: 14.4169 ± 0.0009 Å
• c: 13.2205 ± 0.0009 Å
• α: 90°
• β: 94.377 ± 0.007°
• γ: 90°
• Cell volume: 2385.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes