Information card for entry 1568806

Structure parameters

• Chemical name: Na(THF)[(NDipp)2(CMe)(CCH2)(C5H3N)]Co(CCH)
• Formula: C39 H51 Co N3 Na O
• Calculated formula: C39 H51 Co N3 Na O
• 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: 11.7885 ± 0.0001 Å
• b: 16.6101 ± 0.0002 Å
• c: 18.5455 ± 0.0002 Å
• α: 90°
• β: 99.763 ± 0.001°
• γ: 90°
• Cell volume: 3578.77 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No