Information card for entry 4340260

Structure parameters

• Formula: C16 H16 Cu2 N8 O8
• Calculated formula: C16 H16 Cu2 N8 O8
• SMILES: c1[n]2c(c3cc[n]4n3[Cu]2([n]2ccc3c5cccc[n]5[Cu]4(n23)(ON(=O)=O)[OH2])(ON(=O)=O)[OH2])ccc1
• Title of publication: Syntheses, crystal structures, and magneto-structural correlations of novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 = 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to one-dimensional compounds.
• Authors of publication: Hu, Tong-Liang; Li, Jian-Rong; Liu, Chun-Sen; Shi, Xue-Song; Zhou, Jiang-Ning; Bu, Xian-He; Ribas, Joan
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 162 - 173
• a: 7.3135 ± 0.0014 Å
• b: 8.5002 ± 0.0017 Å
• c: 9.2998 ± 0.0018 Å
• α: 112.946 ± 0.003°
• β: 91.242 ± 0.003°
• γ: 100.638 ± 0.003°
• Cell volume: 520.43 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No