Information card for entry 2015514

Structure parameters

• Chemical name: Bis(3-aminopyridine-κN)(4,4-dimethyl-2,2'-bipyridine-κ^2^N,N')(perchlorato-κO)copper(II) perchlorate
• Formula: C22 H24 Cl2 Cu N6 O8
• Calculated formula: C22 H24 Cl2 Cu N6 O8
• SMILES: [Cu]1([n]2ccc(cc2c2cc(cc[n]12)C)C)([n]1cc(ccc1)N)([n]1cc(ccc1)N)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Bis(3-aminopyridine-κ<i>N</i>)(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(perchlorato-κ<i>O</i>)copper(II) perchlorate
• Authors of publication: Qian, Hui-Fen; Huang, Wei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m349 - m351
• a: 16.112 ± 0.003 Å
• b: 10.442 ± 0.002 Å
• c: 17.058 ± 0.003 Å
• α: 90°
• β: 115.67 ± 0.03°
• γ: 90°
• Cell volume: 2586.6 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes