Information card for entry 1553082

Structure parameters

• Formula: C42 H48 Co N P2 Si2
• Calculated formula: C42 H48 Co N P2 Si2
• SMILES: [Co](N([Si](C)(C)C)[Si](C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides
• Authors of publication: Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R.
• Journal of publication: Chem. Sci.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 4831
• a: 9.28 ± 0.002 Å
• b: 12.256 ± 0.003 Å
• c: 18.651 ± 0.004 Å
• α: 98.324 ± 0.003°
• β: 91.537 ± 0.003°
• γ: 106.636 ± 0.003°
• Cell volume: 2005.9 ± 0.8 ų
• Cell temperature: 168.15 K
• Ambient diffraction temperature: 168.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No