Information card for entry 4333743

Structure parameters

• Formula: C71 H62 Cl4 Cu F6 N2 O Sb
• Calculated formula: C71 H62 Cl4 Cu F6 N2 O Sb
• SMILES: [Cu]([OH2])=C1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.[Sb](F)(F)(F)(F)([F-])F.ClCCl.ClCCl
• 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: 15.5624 ± 0.0016 Å
• b: 18.472 ± 0.002 Å
• c: 24.6683 ± 0.0017 Å
• α: 90°
• β: 116.961 ± 0.004°
• γ: 90°
• Cell volume: 6320.6 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No