Information card for entry 4083453

Structure parameters

• Formula: C31 H37 Co I O2 P3
• Calculated formula: C31 H37 Co I O2 P3
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Co]2(C(CO1)CO[P]2(c1ccccc1)c1ccccc1)(C)(I)[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: 20.7214 ± 0.001 Å
• b: 20.7214 ± 0.001 Å
• c: 39.396 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14649.4 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No