Information card for entry 7219522

Structure parameters

• Formula: C42 H51 Co N2 P4
• Calculated formula: C42 H51 Co N2 P4
• SMILES: [Co]12(c3c(cccc3)[P]2(c2ccccc2)n2c(C(c3n(ccc3)[P]1(c1ccccc1)c1ccccc1)C(C)C)ccc2)([P](C)(C)C)[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: 12.548 ± 0.012 Å
• b: 10.357 ± 0.011 Å
• c: 32.36 ± 0.03 Å
• α: 90°
• β: 97.749 ± 0.019°
• γ: 90°
• Cell volume: 4167 ± 7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.2022
• Residual factor for significantly intense reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.2801
• Weighted residual factors for all reflections included in the refinement: 0.3505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No