Information card for entry 4082894

Structure parameters

• Formula: C18 H30 Cu F6 N2 Sb
• Calculated formula: C18 H30 Cu F5.9988 N2 Sb0.9998
• Title of publication: Coordination and Ligand Substitution Chemistry of Bis(cyclooctyne)copper(I)
• Authors of publication: Das, Animesh; Dash, Chandrakanta; Yousufuddin, Muhammed; Dias, H. V. Rasika
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1644
• a: 23.146 ± 0.005 Å
• b: 7.8797 ± 0.0016 Å
• c: 12.974 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2366.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No