Information card for entry 4084359

Structure parameters

• Chemical name: 15-Ni
• Formula: C48.5 H53 Au2 Cl3 N6 Ni O2
• Calculated formula: C48.5 H53 Au2 Cl3 N6 Ni O2
• 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: 12.2291 ± 0.0017 Å
• b: 13.6366 ± 0.0019 Å
• c: 16.584 ± 0.002 Å
• α: 77.468 ± 0.008°
• β: 72.261 ± 0.007°
• γ: 66.012 ± 0.006°
• Cell volume: 2392.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.178
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.2575
• Weighted residual factors for all reflections included in the refinement: 0.2859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No