Information card for entry 7210589

Structure parameters

• Formula: C12 H14 Cu N4 O4
• Calculated formula: C12 H14 Cu N4 O4
• SMILES: c12[n](cccc1)[Cu]1(NC2=O)[n]2c(cccc2)C(=O)N1.O.O
• Title of publication: Can self-assembly of copper(ii) picolinamide building blocks be controlled?
• Authors of publication: Đaković, Marijana; Vila-Viçosa, Diogo; Bandeira, Nuno A. G.; Calhorda, Maria José; Kozlevčar, Bojan; Jagličić, Zvonko; Popović, Zora
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 8074
• a: 5.1601 ± 0.0002 Å
• b: 7.6565 ± 0.0003 Å
• c: 9.1728 ± 0.0003 Å
• α: 74.888 ± 0.003°
• β: 84.185 ± 0.003°
• γ: 71.767 ± 0.002°
• Cell volume: 332.23 ± 0.02 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0355
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No