Information card for entry 4123860

Structure parameters

• Formula: C26 H39 Co N7 P2
• Calculated formula: C26 H39 Co N7 P2
• SMILES: [Co]123(P(=Nc4[n]2c(N=P1(C(C)C)C(C)C)nc(n4)C)(C(C)C)C(C)C)[n]1c(c2[n]3cccc2)cccc1
• Title of publication: A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.
• Authors of publication: Rösler, Sina; Obenauf, Johannes; Kempe, Rhett
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 25
• Pages of publication: 7998 - 8001
• a: 16.1656 ± 0.0009 Å
• b: 15.8476 ± 0.0006 Å
• c: 17.5006 ± 0.0009 Å
• α: 90°
• β: 116.713 ± 0.004°
• γ: 90°
• Cell volume: 4004.9 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No