Information card for entry 4086861

Structure parameters

• Formula: C33 H56 Co F2 N3 P Si2
• Calculated formula: C33 H56 Co F2 N3 P Si2
• SMILES: C1(=N[P](C(C)(C)C)(C(C)(C)C)[Co](N1c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C)c1cc(cc(c1)F)F
• 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: 11.293 ± 0.005 Å
• b: 12.262 ± 0.005 Å
• c: 16.355 ± 0.005 Å
• α: 77.258 ± 0.005°
• β: 71.916 ± 0.005°
• γ: 63.55 ± 0.005°
• Cell volume: 1918.5 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No