Information card for entry 4084358

Structure parameters

• Chemical name: 7-Pd
• Formula: C52 H58 Ag2 Cl6 N6 O2 Pd
• Calculated formula: C52 H58 Ag2 Cl6 N6 O2 Pd
• SMILES: [Ag](Cl)=C1N2Cc3c(O[Pd]456)c(C=[N]5[C@H]5[C@@H](CCCC5)[N]4=Cc4c(O6)c(cc(c4)C(C)(C)C)CN4C(=[Ag]Cl)N(C=C4)c4c(c5c(N1C=C2)cccc5C)c(ccc4)C)cc(c3)C(C)(C)C.C(Cl)Cl.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: 12.8207 ± 0.0007 Å
• b: 14.4012 ± 0.0009 Å
• c: 28.6348 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5286.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No