Information card for entry 1514312

Structure parameters

• Formula: C25 H51 Co N P3
• Calculated formula: C25 H51 Co N P3
• SMILES: CC([P]1(Cc2[n]3[CoH]1([PH](C(C)C)C(C)C)[P](Cc3ccc2)(C(C)C)C(C)C)C(C)C)C
• 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: 10.0117 ± 0.0013 Å
• b: 10.3818 ± 0.0013 Å
• c: 15.817 ± 0.002 Å
• α: 95.298 ± 0.002°
• β: 96.632 ± 0.003°
• γ: 116.746 ± 0.002°
• Cell volume: 1438.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No