Information card for entry 7127607

Structure parameters

• Formula: C76 H107 Br Co N2 Ni
• Calculated formula: C76 H107 Br Co 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: 11.5001 ± 0.0007 Å
• b: 35.3868 ± 0.0018 Å
• c: 16.9363 ± 0.001 Å
• α: 90°
• β: 93.655 ± 0.002°
• γ: 90°
• Cell volume: 6878.2 ± 0.7 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No