Information card for entry 1514309

Structure parameters

• Formula: C20 H38 Co I N P2
• Calculated formula: C20 H38 Co I N P2
• SMILES: C1c2cccc3C[P](C(C)C)(C(C)C)[Co](C)([P]1(C(C)C)C(C)C)(I)[n]23
• Title of publication: Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex
• Authors of publication: Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1956
• a: 15.6128 ± 0.0005 Å
• b: 9.7824 ± 0.0003 Å
• c: 16.1191 ± 0.0005 Å
• α: 90°
• β: 106.659 ± 0.002°
• γ: 90°
• Cell volume: 2358.55 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No