Information card for entry 4086860

Structure parameters

• Formula: C45 H70 Co N3 P Si2
• Calculated formula: C45 H70 Co N3 P Si2
• SMILES: C1(=N[P](C23CC4CC(C2)CC(C4)C3)(C23CC4CC(C2)CC(C4)C3)[Co](N1c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C)c1ccccc1
• Title of publication: Cobalt- and Iron-Catalyzed Isomerization‒Hydroboration of Branched Alkenes: Terminal Hydroboration with Pinacolborane and 1,3,2-Diazaborolanes
• Authors of publication: Ogawa, Takahiko; Ruddy, Adam J.; Sydora, Orson L.; Stradiotto, Mark; Turculet, Laura
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 12.445 ± 0.005 Å
• b: 18.927 ± 0.005 Å
• c: 18.974 ± 0.005 Å
• α: 90°
• β: 94.181 ± 0.005°
• γ: 90°
• Cell volume: 4457 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No