Information card for entry 1514308

Structure parameters

• Formula: C50.5 H87 Cl2 Co2 N2 P4
• Calculated formula: C50.516 H87 Cl2 Co2 N2 P4
• 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: 29.522 ± 0.004 Å
• b: 11.3531 ± 0.0014 Å
• c: 16.459 ± 0.002 Å
• α: 90°
• β: 102.536 ± 0.001°
• γ: 90°
• Cell volume: 5385 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No