Information card for entry 4085682

Structure parameters

• Common name: K^2^(2-triphenylphosphinimine-5-methylbenzenesulfonate) palladium(methyl)(4-tbutylpyridine)
• Chemical name: K^2^(2-triphenylphosphinimine-5-methylbenzenesulfonate) palladium(methyl)(4-tbutylpyridine)
• Formula: C35 H37 N2 O3 P Pd S
• Calculated formula: C35 H37 N2 O3 P Pd S
• SMILES: [Pd]1(OS(=O)(=O)c2cc(ccc2[N]1=P(c1ccccc1)(c1ccccc1)c1ccccc1)C)([n]1ccc(cc1)C(C)(C)C)C
• Title of publication: Synthesis and Reactivity of Neutral Palladium(II) Alkyl Complexes that Contain Phosphinimine-Arenesulfonate Ligands
• Authors of publication: Burns, Christopher T.; Shang, Suisheng; Mashuta, Mark S.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1844
• a: 17.86211 ± 0.00017 Å
• b: 17.52994 ± 0.00015 Å
• c: 21.0147 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6580.16 ± 0.1 ų
• Cell temperature: 100.05 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No