Information card for entry 7031838

Structure parameters

• Formula: C22 H16 Cl2 Cu2 N10 O8
• Calculated formula: C22 H16 Cl2 Cu2 N10 O8
• Title of publication: Syntheses and structures of copper complexes of 3-(6-(1H-pyrazol-1-yl)pyridin-2-yl)pyrazol-1-ide and their excellent performance in the syntheses of nitriles and aldehydes.
• Authors of publication: Tan, Da-Wei; Xie, Jing-Bo; Li, Qi; Li, Hong-Xi; Li, Jun-Chi; Li, Hai-Yan; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 14061 - 14071
• a: 7.9591 ± 0.0006 Å
• b: 8.4441 ± 0.0005 Å
• c: 9.941 ± 0.0005 Å
• α: 97.366 ± 0.004°
• β: 91.381 ± 0.005°
• γ: 102.354 ± 0.006°
• Cell volume: 646.34 ± 0.07 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No