Information card for entry 4122627

Structure parameters

• Common name: 8_(tBuPBP)NiOC(H)O
• Formula: C25 H45 B N2 Ni O2 P2
• Calculated formula: C25 H45 B N2 Ni O2 P2
• SMILES: [Ni]12([P](C(C)(C)C)(C(C)(C)C)CN3c4c(N(B23)C[P]1(C(C)(C)C)C(C)(C)C)cccc4)OC=O
• Title of publication: Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.
• Authors of publication: Lin, Tzu-Pin; Peters, Jonas C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 39
• Pages of publication: 13672 - 13683
• a: 12.0755 ± 0.0018 Å
• b: 14.717 ± 0.002 Å
• c: 31.911 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5671.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No