Information card for entry 7005565

Structure parameters

• Formula: C30 H47 Cl Cu F3 N7 O3 S
• Calculated formula: C30 H47 Cl Cu F3 N7 O3 S
• SMILES: [Cu]12(Cl)[n]3c(cccc3C[N]2=C2N(C=CN2C(C)(C)C)C(C)(C)C)C[N]1=C1N(C=CN1C(C)(C)C)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis and reactivity of copper(I) complexes containing a bis(imidazolin-2-imine) pincer ligand.
• Authors of publication: Petrovic, Dejan; Bannenberg, Thomas; Randoll, Sören; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 26
• Pages of publication: 2812 - 2822
• a: 17.895 ± 0.0004 Å
• b: 8.7368 ± 0.0002 Å
• c: 24.0711 ± 0.0006 Å
• α: 90°
• β: 105.98 ± 0.0009°
• γ: 90°
• Cell volume: 3617.96 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No