Information card for entry 4518866

Structure parameters

• Formula: C63 H97 K N6 O7.5 Zn
• Calculated formula: C63 H97 K N6 O7.5 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: 10.5804 ± 0.0014 Å
• b: 17.603 ± 0.002 Å
• c: 18.015 ± 0.002 Å
• α: 93.949 ± 0.005°
• β: 100.383 ± 0.005°
• γ: 104.21 ± 0.005°
• Cell volume: 3176.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No