Information card for entry 7022301

Structure parameters

• Formula: C24 H16 Cu F6 N4 P
• Calculated formula: C24 H16 Cu F6 N4 P
• SMILES: c1ccc2ccc3ccc[n]4[Cu]5([n]1c2c34)[n]1cccc2ccc3ccc[n]5c3c12.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.4565 ± 0.0015 Å
• b: 14.39 ± 0.002 Å
• c: 7.5675 ± 0.0011 Å
• α: 90°
• β: 97.177 ± 0.002°
• γ: 90°
• Cell volume: 1129.8 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No