Information card for entry 7042645

Structure parameters

• Formula: C26 H31 F3 N Ni O3 P S
• Calculated formula: C26 H31 F3 N Ni O3 P S
• SMILES: [Ni]123([P](c4ccccc4)(c4ccccc4)C4=C(CCC4)C=[N]1C(C)(C)C)[CH2]=[CH]2C3.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Selective hydrosilylation of alkynes and ketones: contrasting reactivity between cationic 3-iminophosphine palladium and nickel complexes.
• Authors of publication: Tafazolian, Hosein; Yoxtheimer, Robert; Thakuri, Rajendr S.; Schmidt, Joseph A. R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5431 - 5440
• a: 16.4721 ± 0.0016 Å
• b: 17.5103 ± 0.0017 Å
• c: 18.5492 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5350.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No