Information card for entry 7126712

Structure parameters

• Chemical name: 3
• Formula: C63 H86 Co2 O2
• Calculated formula: C63 H86 Co2 O2
• SMILES: [Co](OC(C(C)(C)C)(C(C)(C)C)c1ccccc1)(OC(C(C)(C)C)(C(C)(C)C)c1ccccc1)=C(c1ccccc1)c1ccccc1.[Co]12345678([c]9([c]1(C)[c]2([c]3([c]49C)C)C)C)[c]1([c]5([c]6(C)[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: 12.0917 ± 0.0007 Å
• b: 13.2206 ± 0.0007 Å
• c: 18.3083 ± 0.001 Å
• α: 83.843 ± 0.003°
• β: 74.551 ± 0.003°
• γ: 73.23 ± 0.003°
• Cell volume: 2699.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No