Information card for entry 7022302

Structure parameters

• Formula: C80 H92 Cl2 Cu2 N8 O8
• Calculated formula: C80 H92 Cl2 Cu2 N8 O8
• Title of publication: C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.
• Authors of publication: Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 3631 - 3645
• a: 11.3756 ± 0.0013 Å
• b: 13.2455 ± 0.0014 Å
• c: 14.4389 ± 0.0016 Å
• α: 104.478 ± 0.002°
• β: 109.096 ± 0.002°
• γ: 92.224 ± 0.002°
• Cell volume: 1973.2 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1327
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No