Information card for entry 4082950

Structure parameters

• Common name: [(2-py)2BMe2)Ni(acac]
• Formula: C17 H21 B N2 Ni O2
• Calculated formula: C17 H21 B N2 Ni O2
• SMILES: [Ni]12(OC(=CC(=[O]1)C)C)[n]1ccccc1[B](c1[n]2cccc1)(C)C
• Title of publication: Synthesis and Characterization of Dimethylbis(2-pyridyl)borate Nickel(II) Complexes: Unimolecular Square-Planar to Square-Planar Rotation around Nickel(II).
• Authors of publication: Celaje, Jeff A.; Pennington-Boggio, Megan K; Flaig, Robinson W.; Richmond, Michael G.; Williams, Travis J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 2019 - 2026
• a: 7.3097 ± 0.0003 Å
• b: 8.1424 ± 0.0004 Å
• c: 14.9208 ± 0.0007 Å
• α: 96.414 ± 0.001°
• β: 92.566 ± 0.001°
• γ: 109.823 ± 0.001°
• Cell volume: 826.96 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0222
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No