Information card for entry 4340265

Structure parameters

• Formula: C28 H20 Cu2 N9 O2
• Calculated formula: C28 H20 Cu2 N9 O2
• 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: 12.112 ± 0.003 Å
• b: 12.42 ± 0.003 Å
• c: 19.217 ± 0.004 Å
• α: 90°
• β: 104.611 ± 0.004°
• γ: 90°
• Cell volume: 2797.3 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No