Information card for entry 4086862

Structure parameters

• Formula: C39 H58 Co N3 P
• Calculated formula: C39 H58 Co N3 P
• SMILES: C1(=N[P](C(C)(C)C)(C(C)(C)C)[Co](N1c1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)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: 10.9599 ± 0.0005 Å
• b: 11.9389 ± 0.0005 Å
• c: 14.9189 ± 0.0005 Å
• α: 96.924 ± 0.001°
• β: 90.401 ± 0.001°
• γ: 101.408 ± 0.001°
• Cell volume: 1898.65 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No