Information card for entry 4063347

Structure parameters

• Formula: C18 H24 Cu2 F12 N8 P2
• Calculated formula: C18 H24 Cu2 F12 N8 P2
• SMILES: CN1C2N(CN3C(N(C)C=C3)=[Cu]=C3N(C)C=CN3CN3C=CN(C)C3=[Cu]=2)C=C1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 17.292 ± 0.005 Å
• b: 13.006 ± 0.004 Å
• c: 12.943 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2910.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No