Information card for entry 4518864

Structure parameters

• Formula: C46 H57 N4 Zn
• Calculated formula: C42.5 H53 N4 Zn
• Title of publication: Redox Activity of Noninnocent 2,2′-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study
• Authors of publication: Li, Bin; Geoghegan, Blaise L.; Wölper, Christoph; Cutsail, George E.; Schulz, Stephan
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 10.5845 ± 0.0006 Å
• b: 12.273 ± 0.0007 Å
• c: 16.9985 ± 0.001 Å
• α: 98.799 ± 0.003°
• β: 92.551 ± 0.003°
• γ: 106.999 ± 0.002°
• Cell volume: 2077.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No