Information card for entry 1568808

Structure parameters

• Chemical name: {[(NDipp)2(CMe)2(C5H3N)]Co(CO)}[BArF4]
• Formula: C66 H55 B Co F24 N3 O
• Calculated formula: C66 H55 B Co F24 N3 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: 17.4943 ± 0.0005 Å
• b: 17.8665 ± 0.0006 Å
• c: 22.1081 ± 0.0006 Å
• α: 90°
• β: 104.528 ± 0.003°
• γ: 90°
• Cell volume: 6689.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0924
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No