Information card for entry 7127608

Structure parameters

• Formula: C35 H53 Br N2 Ni
• Calculated formula: C35 H53 Br N2 Ni
• Title of publication: Electron transfer within β-diketiminato nickel bromide and cobaltocene redox couples activating CO₂.
• Authors of publication: Zimmermann, Philipp; Kilpatrick, Alexander F. R.; Ar, Deniz; Demeshko, Serhiy; Cula, Beatrice; Limberg, Christian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 875 - 878
• a: 22.236 ± 0.002 Å
• b: 9.3616 ± 0.0008 Å
• c: 16.9224 ± 0.0018 Å
• α: 90°
• β: 106.682 ± 0.004°
• γ: 90°
• Cell volume: 3374.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No