Information card for entry 1514313

Structure parameters

• Formula: C19 H38 Co N P2
• Calculated formula: C19 H38 Co N P2
• SMILES: [CoH3]12[P](Cc3[n]2c(C[P]1(C(C)C)C(C)C)ccc3)(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: 19.236 ± 0.005 Å
• b: 9.591 ± 0.005 Å
• c: 11.786 ± 0.005 Å
• α: 90°
• β: 100.635 ± 0.005°
• γ: 90°
• Cell volume: 2137.1 ± 1.5 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No