Information card for entry 4070867

Structure parameters

• Formula: C34 H58 B Ni P3
• Calculated formula: C34 H58 B Ni P3
• SMILES: [Ni]1([P](C)(C)CC[P]1(C)C)([P](c1ccccc1)(c1ccccc1)CC[B](C)(C1CCCCC1)C1CCCCC1)C
• Title of publication: β-Phosphinoethylboranes as Ambiphilic Ligands in Nickel−Methyl Complexes
• Authors of publication: Fischbach, Andreas; Bazinet, Patrick R.; Waterman, Rory; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1135
• a: 10.4003 ± 0.0018 Å
• b: 11.84 ± 0.002 Å
• c: 15.52 ± 0.003 Å
• α: 76.509 ± 0.003°
• β: 88.116 ± 0.003°
• γ: 68.598 ± 0.003°
• Cell volume: 1727.4 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0859
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No