Information card for entry 1548976

Structure parameters

• Chemical name: Zn-ortho-1-amide
• Formula: C58.5 H43.5 F6 N6.5 O2.5 Zn
• Calculated formula: C58.5 H43.5 F6 N6.5 O2.5 Zn
• Title of publication: Positional effects of second-sphere amide pendants on electrochemical CO₂ reduction catalyzed by iron porphyrins.
• Authors of publication: Nichols, Eva M.; Derrick, Jeffrey S.; Nistanaki, Sepand K.; Smith, Peter T.; Chang, Christopher J.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 2952 - 2960
• a: 10.7604 ± 0.0006 Å
• b: 51.619 ± 0.002 Å
• c: 18.6745 ± 0.0009 Å
• α: 90°
• β: 98.394 ± 0.003°
• γ: 90°
• Cell volume: 10261.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No