Information card for entry 4078699

Structure parameters

• Formula: C42 H44 Au F6 N12 P
• Calculated formula: C42 H44 Au F6 N12 P
• SMILES: [Au](=C1N(C=CN1c1c(cc(cc1C)C)C)c1nnc(n2nc(cc2C)C)cc1)=C1N(C=CN1c1c(cc(cc1C)C)C)c1nnc(n2nc(cc2C)C)cc1.[P](F)(F)(F)(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: 21.3507 ± 0.0003 Å
• b: 16.799 ± 0.0004 Å
• c: 24.2172 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8686 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No