Information card for entry 4082895

Structure parameters

• Formula: C22 H40 Cl4 Cu F6 N4 Sb
• Calculated formula: C22 H40 Cl4 Cu F6 N4 Sb
• 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: 13.518 ± 0.0006 Å
• b: 11.3958 ± 0.0005 Å
• c: 22.2579 ± 0.001 Å
• α: 90°
• β: 91.122 ± 0.0006°
• γ: 90°
• Cell volume: 3428.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No