Information card for entry 1545895

Structure parameters

• Formula: C8 H24 Cu2 I2 N4
• Calculated formula: C8 H24 Cu2 I2 N4
• Title of publication: Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems
• Authors of publication: Jin, Xiaodong; Davies, Robert P.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2017
• a: 13.3569 ± 0.001 Å
• b: 11.5554 ± 0.0008 Å
• c: 11.4189 ± 0.0009 Å
• α: 90°
• β: 95.026 ± 0.007°
• γ: 90°
• Cell volume: 1755.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No