Information card for entry 4063346

Structure parameters

• Formula: C16 H20 Cl4 Cu2 N8
• Calculated formula: C16 H20 Cl4 Cu2 N8
• SMILES: c1c[n]2c(n1C)c1n(C)cc[n]1[Cu](Cl)([n]1ccn(C)c1c1n(C)cc[n]1[Cu]2(Cl)Cl)Cl
• Title of publication: Facile C—N Bond Cleavage Promoted by Cuprous Oxide: Formation of C—C-Coupled Biimidazole from Its Methylene-Bridged Congener
• Authors of publication: Sabiah, Shahulhameed; Lee, Chen-Shiang; Hwang, Wen-Shu; Lin, Ivan J. B.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 290 - 293
• a: 16.0805 ± 0.0006 Å
• b: 10.8127 ± 0.0004 Å
• c: 14.4679 ± 0.0006 Å
• α: 90°
• β: 113.338 ± 0.001°
• γ: 90°
• Cell volume: 2309.77 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No