Information card for entry 4089285

Structure parameters

• Common name: C36H43F12N3NiP4PdS2
• Chemical name: C36H43F12N3NiP4PdS2
• Formula: C36 H43 F12 N3 Ni P4 Pd S2
• Calculated formula: C36 H43 F12 N3 Ni P4 Pd S2
• SMILES: [Pd]123([Ni]456[S]1CC[N]14CC[N]6(CC1)CC[S]35)[P](c1ccccc1)(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC#N
• 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: 27.491 ± 0.008 Å
• b: 11.413 ± 0.003 Å
• c: 13.66 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4286 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No