Information card for entry 7126713

Structure parameters

• Chemical name: 6
• Formula: C42 H48 Co N
• Calculated formula: C42 H48 Co N
• SMILES: [Co]12345678([c]9([c]1([c]2([c]3([c]49C)C)CC(=N\c1c(C)cccc1C)\C(c1ccccc1)c1ccccc1)C)C)[c]1([c]5(C)[c]6([c]7([c]81C)C)C)C
• Title of publication: One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical.
• Authors of publication: Grass, Amanda; Bellow, James A.; Morrison, Gregory; Zur Loye, Hans-Conrad; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 60
• Pages of publication: 8416 - 8419
• a: 14.6058 ± 0.0007 Å
• b: 14.6784 ± 0.0007 Å
• c: 30.7441 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6591.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No