Information card for entry 7107158

Structure parameters

• Formula: C27 H38 Co2
• Calculated formula: C27 H38 Co2
• SMILES: [Co]1234567([c]8([c]1([c]2([c]3([c]48C)C)C)C)C)[CH]1[CH]2[Co]3489%10%11([c]%12([c]9([c]8([c]4([c]3%12C)C)C)C)C)[C]=2([CH]7%11=[CH]6%10[CH]5=1)C
• Title of publication: Development of more labile low electron count Co(I) sources: mild, catalytic functionalization of activated alkanes using a [(Cp*Co)2-?-(?4:?4-arene)] complex
• Authors of publication: Fernando Hung-Low; Jeremy Krogman; Jesse Tye; Chris Bradley
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 368
• a: 11.0407 ± 0.0011 Å
• b: 13.9848 ± 0.0014 Å
• c: 31.459 ± 0.003 Å
• α: 89.798 ± 0.001°
• β: 85.884 ± 0.001°
• γ: 89.751 ± 0.001°
• Cell volume: 4844.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No