Information card for entry 4086339

Structure parameters

• Common name: jonsc10
• Chemical name: Tp'Ni(4-Me-quinolinate)
• Formula: C25 H30 B N7 Ni O
• Calculated formula: C25 H30 B N7 Ni O
• SMILES: [Ni]123(Oc4[n]3c3ccccc3c(c4)C)[n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C
• Title of publication: A Single Nickel Catalyst for the Acceptorless Dehydrogenation of Alcohols and Hydrogenation of Carbonyl Compounds
• Authors of publication: Chakraborty, Sumit; Piszel, Paige E.; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 5203
• a: 7.7453 ± 0.0016 Å
• b: 8.1364 ± 0.0017 Å
• c: 21.261 ± 0.004 Å
• α: 86.646 ± 0.004°
• β: 81.744 ± 0.005°
• γ: 66.044 ± 0.004°
• Cell volume: 1211.7 ± 0.4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No