Information card for entry 2207441

Structure parameters

• Chemical name: Tetrakis(4-nitropyridine N-oxide-κO)bis(perchlorato)copper(II)
• Formula: C20 H16 Cl2 Cu N8 O20
• Calculated formula: C20 H16 Cl2 Cu N8 O20
• SMILES: c1cc(ccn1=[O][Cu]([O]=n1ccc(cc1)N(=O)=O)([O]=n1ccc(cc1)N(=O)=O)[O]=n1ccc(cc1)N(=O)=O)N(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Tetrakis(4-nitropyridine <i>N</i>-oxide-κ<i>O</i>)bis(perchlorato)copper(II)
• Authors of publication: Shi, Jing-Min; Chen, Ju-Na; Wu, Chang-Ju; Liu, Lian-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2621 - m2622
• a: 9.9557 ± 0.0019 Å
• b: 9.8964 ± 0.0019 Å
• c: 15.715 ± 0.003 Å
• α: 90°
• β: 101.938 ± 0.002°
• γ: 90°
• Cell volume: 1514.8 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes