Information card for entry 2234090

Structure parameters

• Chemical name: Poly[diaquadi-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-dinitrato- κ^4^<i>O</i>:<i>O</i>'-bis[3-(pyridin-4-yl-κ<i>N</i>)-5-(pyridin-3-yl)- 1,2,4-oxadiazole]dicopper(II)]
• Formula: C24 H22 Cu2 N10 O12
• Calculated formula: C24 H22 Cu2 N10 O12
• SMILES: c1cc(cc[n]1[Cu]1([OH2])(ON(=O)=O)[OH][Cu]([n]2ccc(cc2)c2nc(c3cccnc3)on2)([OH2])([OH]1)ON(=O)=O)c1nc(c2cccnc2)on1
• Title of publication: Poly[diaquadi-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-dinitrato-κ^4^<i>O</i>:<i>O</i>'-bis[3-(pyridin-4-yl-κ<i>N</i>)-5-(pyridin-3-yl)-1,2,4-oxadiazole]dicopper(II)]
• Authors of publication: Wu, Longfei; Huang, Linxia; Shu, Mouhai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m422 - m423
• a: 17.7718 ± 0.0011 Å
• b: 5.9088 ± 0.0004 Å
• c: 13.6268 ± 0.0008 Å
• α: 90°
• β: 105.572 ± 0.001°
• γ: 90°
• Cell volume: 1378.43 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes