Information card for entry 7210590

Structure parameters

• Formula: C24 H22 Cl2 Cu2 N8 O12
• Calculated formula: C24 H22 Cl2 Cu2 N8 O12
• SMILES: [Cu]12([n]3c(C(N)=[O]2)cccc3)[n]2c(cccc2)C(=O)N1.[O-]Cl(=O)(=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: 24.077 ± 0.0005 Å
• b: 6.552 ± 0.0001 Å
• c: 19.6808 ± 0.0005 Å
• α: 90°
• β: 102.133 ± 0.002°
• γ: 90°
• Cell volume: 3035.34 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No