Information card for entry 4082892

Structure parameters

• Formula: C17 H24 Cu F6 O Sb
• Calculated formula: C17 H24 Cu F6 O Sb
• SMILES: [Cu]12([C]3#[C]2CCCCCC3)([C]2#[C]1CCCCCC2)C#[O].[Sb](F)(F)(F)(F)(F)[F-]
• 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: 11.4781 ± 0.001 Å
• b: 12.2864 ± 0.0011 Å
• c: 16.0681 ± 0.0011 Å
• α: 90°
• β: 117.088 ± 0.005°
• γ: 90°
• Cell volume: 2017.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No