Information card for entry 7121325

Structure parameters

• Common name: 1-Ni
• Formula: C22 H23 F12 N7 Ni P2
• Calculated formula: C22 H23 F12 N7 Ni P2
• Title of publication: Electrocatalytic CO₂ reduction with nickel complexes supported by tunable bipyridyl-N-heterocyclic carbene donors: understanding redox-active macrocycles.
• Authors of publication: Su, Xiaojun; McCardle, Kaitlin M.; Panetier, Julien A.; Jurss, Jonah W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 27
• Pages of publication: 3351 - 3354
• a: 37.426 ± 0.004 Å
• b: 8.0756 ± 0.0008 Å
• c: 23.616 ± 0.003 Å
• α: 90°
• β: 128.46 ± 0.005°
• γ: 90°
• Cell volume: 5589.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No