Information card for entry 4516778

Structure parameters

• Formula: C27 H40 Co N O P2
• Calculated formula: C27 H40 Co N O P2
• SMILES: C1c2cccc3C[P](C(C)C)(C(C)C)[Co](c4cc5ccccc5o4)([n]23)[P]1(C(C)C)C(C)C
• Title of publication: Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.
• Authors of publication: Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.
• Journal of publication: ACS central science
• Year of publication: 2016
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 935 - 942
• a: 12.171 ± 0.002 Å
• b: 12.756 ± 0.002 Å
• c: 17.977 ± 0.003 Å
• α: 90°
• β: 102.445 ± 0.007°
• γ: 90°
• Cell volume: 2725.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No