Information card for entry 4089287

Structure parameters

• Formula: C35 H42 F12 N2 Ni P4 Pd S2
• Calculated formula: C35 H42 F12 N2 Ni P4 Pd S2
• SMILES: C1C[N]23CCC[N]4(CC2)CC[S]2[Ni]534[S]1[Pd]125[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Discrete Air-Stable Nickel(II)‒Palladium(II) Complexes as Catalysts for Suzuki‒Miyaura Reactions
• Authors of publication: Zhao, Tiankun; Ghosh, Pokhraj; Martinez, Zachary; Liu, Xufeng; Meng, Xianggao; Darensbourg, Marcetta Y.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1822
• a: 10.1451 ± 0.0015 Å
• b: 13.733 ± 0.002 Å
• c: 16.647 ± 0.002 Å
• α: 97.428 ± 0.002°
• β: 100.758 ± 0.002°
• γ: 110.794 ± 0.002°
• Cell volume: 2081.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No