Information card for entry 4333745

Structure parameters

• Formula: C72 H58 Cl2 Cu F6 N2 O2 Sb
• Calculated formula: C72 H58 Cl2 Cu F6 N2 O2 Sb
• SMILES: [Cu](=C1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)(C#[O])C#[O].[Sb](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• 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: 15.9597 ± 0.0014 Å
• b: 17.2197 ± 0.0015 Å
• c: 23.051 ± 0.002 Å
• α: 90°
• β: 106.446 ± 0.001°
• γ: 90°
• Cell volume: 6075.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1273
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No