Information card for entry 4083455

Structure parameters

• Formula: C33 H43 Co O2 P4
• Calculated formula: C33 H43 Co O2 P4
• SMILES: [Co]12([P](OCC2CO[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C)(C)C)[P](C)(C)C
• Title of publication: Activation of sp3Carbon−Hydrogen Bonds by Cobalt and Iron Complexes and Subsequent C−C Bond Formation
• Authors of publication: Xu, Guoqiang; Sun, Hongjian; Li, Xiaoyan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 6090
• a: 9.352 ± 0.003 Å
• b: 17.919 ± 0.006 Å
• c: 20.276 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3397.8 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No