Information card for entry 1558084

Structure parameters

• Common name: (PNP)Co(Ph)(OAc)
• Formula: C34 H48 Co N O2 P2
• Calculated formula: C34 H48 Co N O2 P2
• SMILES: [Co]1234([P](C(C)C)(C(C)C)c5cc(ccc5N3c3c([P]1(C(C)C)C(C)C)cc(C)cc3)C)(O[C]4(O2)C)c1ccccc1
• Title of publication: Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.
• Authors of publication: Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 6075 - 6084
• a: 33.34 ± 0.006 Å
• b: 13.858 ± 0.003 Å
• c: 14.143 ± 0.003 Å
• α: 90°
• β: 99.023 ± 0.002°
• γ: 90°
• Cell volume: 6454 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No