Information card for entry 4333744

Structure parameters

• Formula: C29 H38 Cu F6 N2 O2 Sb
• Calculated formula: C29 H38 Cu F6 N2 O2 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Cu](=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])C#[O]
• Title of publication: Isolable, Copper(I) Dicarbonyl Complexes Supported by N-Heterocyclic Carbenes
• Authors of publication: Chandrakanta Dash; Animesh Das; Muhammed Yousufuddin; H. V. Rasika Dias
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1584 - 1590
• a: 12.0411 ± 0.0008 Å
• b: 15.0609 ± 0.001 Å
• c: 18.7044 ± 0.0011 Å
• α: 90°
• β: 109.714 ± 0.003°
• γ: 90°
• Cell volume: 3193.2 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No