Information card for entry 2016128

Structure parameters

• Chemical name: catena-Poly[[[pyridinecopper(II)]bis(μ~3~-4-(2-\ oxidobenzylideneamino)benzoato)] dimethylformamide disolvate]
• Formula: C22 H21 Cu N3 O4
• Calculated formula: C22 H21 Cu N3 O4
• SMILES: [Cu]12([n]3ccccc3)Oc3ccccc3C=[N]1c1ccc(cc1)C(=O)O[Cu]13([n]4ccccc4)[N](c4ccc(cc4)C(=O)O2)=Cc2c(cccc2)[O]1[Cu]12([n]4ccccc4)[O]3c3ccccc3C=[N]1c1ccc(cc1)C(=O)O[Cu]1([n]3ccccc3)[N](c3ccc(cc3)C(=O)O2)=Cc2c(cccc2)O1.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: <i>catena</i>-Poly[[[pyridinecopper(II)]bis[μ~3~-4-(2-oxidobenzylideneamino)benzoato]] dimethylformamide disolvate], a polymer composed of dimeric dicopper building units
• Authors of publication: Qing-Ling Ni; Fa-Si Li; Xiu-Jian Wang; Xian-Su Bi; Sen Liao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m416 - m418
• a: 8.9547 ± 0.0013 Å
• b: 10.6215 ± 0.0015 Å
• c: 11.3899 ± 0.0016 Å
• α: 80.393 ± 0.005°
• β: 86.408 ± 0.003°
• γ: 80.138 ± 0.002°
• Cell volume: 1051.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes