Information card for entry 4084357

Structure parameters

• Chemical name: 7-Ni
• Formula: C51 H56 Ag2 Cl4 N6 Ni O2
• Calculated formula: C51 H56 Ag2 Cl4 N6 Ni O2
• SMILES: [Ag](Cl)=C1N2Cc3c4O[Ni]56[N]([C@@H]7CCCC[C@H]7[N]5=Cc5cc(cc(c5O6)CN5C(=[Ag]Cl)N(C=C5)c5c(c(ccc5)C)c5c(N1C=C2)cccc5C)C(C)(C)C)=Cc4cc(c3)C(C)(C)C.C(Cl)Cl
• Title of publication: Macrocyclic Salen‒Bis-NHC Hybrid Ligands and Their Application to the Synthesis of Enantiopure Bi- and Trimetallic Complexes
• Authors of publication: Mechler, Melanie; Frey, Wolfgang; Peters, René
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5492
• a: 12.5384 ± 0.001 Å
• b: 14.2391 ± 0.0012 Å
• c: 29.279 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5227.3 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No