Information card for entry 4031982

Structure parameters

• Formula: C30 H35 F3 N O3 P Pd S
• Calculated formula: C30 H35 F3 N O3 P Pd S
• SMILES: [Pd]123([P](C(C=[N]1c1c(cc(cc1C)C)C)(C)C)(c1ccccc1)c1ccccc1)[C](=[CH2]2)(C3)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.
• Authors of publication: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2016
• Journal volume: 12
• Pages of publication: 846 - 853
• a: 17.413 ± 0.009 Å
• b: 17.673 ± 0.008 Å
• c: 19.974 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6147 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0569
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No