Information card for entry 1520001

Structure parameters

• Formula: C54 H46 Co N2 P3
• Calculated formula: C54 H46 Co N2 P3
• SMILES: [CoH]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#N
• Title of publication: Alkene isomerization-hydroboration promoted by phosphine-ligated cobalt catalysts.
• Authors of publication: Scheuermann, Margaret L.; Johnson, Elizabeth J.; Chirik, Paul J.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2716 - 2719
• a: 14.376 ± 0.0006 Å
• b: 14.699 ± 0.0006 Å
• c: 21.34 ± 0.0008 Å
• α: 90°
• β: 107.79 ± 0.001°
• γ: 90°
• Cell volume: 4293.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No