Information card for entry 2220641

Structure parameters

• Chemical name: bis{μ-3-[(2-nitrophenyl)iminomethyl]-2-oxidobenzoato}dicopper(II)
• Formula: C28 H16 Co2 N4 O10
• Calculated formula: C28 H16 Co2 N4 O10
• SMILES: C1(=O)c2c3c(C=[N](c4ccccc4N(=O)=O)[Co]45[O]3[Co]3(O1)[N](=Cc1c(c(C(=O)O4)ccc1)[O]53)c1ccccc1N(=O)=O)ccc2
• Title of publication: A binuclear cobalt(II) complex of an NO~3~-donor Schiff base derived from 3-carboxylsalicylaldehyde and 2-nitroaniline
• Authors of publication: Yu, Zhao-Wen; Chang, Ling; Sun, Peng; He, Min-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m119 - m120
• a: 8.3398 ± 0.0006 Å
• b: 11.0454 ± 0.0008 Å
• c: 13.3681 ± 0.0009 Å
• α: 90°
• β: 99.604 ± 0.001°
• γ: 90°
• Cell volume: 1214.16 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes