Information card for entry 4085749

Structure parameters

• Formula: C28 H38 Co N O2 P2
• Calculated formula: C28 H38 Co N O2 P2
• SMILES: [Co]12([P](C)(C)C)([P](C)(C)C)(OC(=CC(=[O]1)C)C)C(Nc1c3ccccc3ccc21)c1ccccc1
• Title of publication: Synthesis and Reactivity of a Hydrido CNC Pincer Cobalt(III) Complex and Its Application in Hydrosilylation of Aldehydes and Ketones
• Authors of publication: Zhou, Hongwei; Sun, Hongjian; Zhang, Shumiao; Li, Xiaoyan
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1479
• a: 12.9669 ± 0.0005 Å
• b: 12.5541 ± 0.0004 Å
• c: 17.0366 ± 0.0006 Å
• α: 90°
• β: 102.278 ± 0.003°
• γ: 90°
• Cell volume: 2709.92 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No