Information card for entry 1568809

Structure parameters

• Chemical name: {[(NDipp)2(CMe)2(C5H3N)]Co(CNtBu)}[BArF4]
• Formula: C70 H64 B Co F24 N4
• Calculated formula: C70 H64 B Co F24 N4
• Title of publication: Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand
• Authors of publication: Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4627 - 4632
• a: 14.3644 ± 0.0002 Å
• b: 15.5532 ± 0.0002 Å
• c: 16.5724 ± 0.0002 Å
• α: 91.085 ± 0.001°
• β: 102.787 ± 0.001°
• γ: 99.37 ± 0.001°
• Cell volume: 3556.66 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No