Information card for entry 7219525

Structure parameters

• Formula: C39 H41 Co N2 P3
• Calculated formula: C39 H41 Co N2 P3
• SMILES: [Co]123([C](c4cccn4[P]2(c2ccccc2)c2ccccc2)(=[CH]1CC)c1cccn1[P]3(c1ccccc1)c1ccccc1)[P](C)(C)C
• Title of publication: Formation of PCP pincer cobalt complexes with cobaltacyclopropane moieties via double Csp3-H bond activation†
• Authors of publication: zhu, gengyu; wang, lin; Sun, Hongjian; Li, Xiaoyan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 16.666 ± 0.002 Å
• b: 19.745 ± 0.003 Å
• c: 21.037 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6922.6 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No