Information card for entry 4078702

Structure parameters

• Formula: C44.75 H48 Au Cl4 Cu F9.75 N12 O2.25 P1.25 S0.75
• Calculated formula: C44.75 H48 Au Cl4 Cu F9.75 N12 O2.25 P1.25 S0.75
• SMILES: [Cu]123[n]4nc(N5C(=[Au]=C6N(C=CN6c6c(cc(cc6C)C)C)c6n[n]2c(n2[n]3c(cc2C)C)cc6)N(C=C5)c2c(cc(cc2C)C)C)ccc4n2[n]1c(cc2C)C.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis
• Authors of publication: Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5025
• a: 14.0308 ± 0.0003 Å
• b: 18.6868 ± 0.0003 Å
• c: 22.1264 ± 0.0005 Å
• α: 90°
• β: 106.613 ± 0.002°
• γ: 90°
• Cell volume: 5559.2 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 10
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No