Information card for entry 7217848

Structure parameters

• Chemical name: dichlorido-(N,N-diethyl-1-ferrocenyl-3-thiabutanamine)palladium(II)
• Formula: C17 H25 Cl2 Fe N Pd S
• Calculated formula: C17 H25 Cl2 Fe N Pd S
• SMILES: [Pd]1(Cl)(Cl)[S](CC([N]1(CC)CC)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)C
• Title of publication: The palladium(II) complex of N,N-diethyl-1-ferrocenyl-3-thiabutanamine: synthesis, solution and solid state structure and catalytic activity in Suzuki-Miyaura reaction
• Authors of publication: Damljanovic, Ivan; Stevanovic, Dragana; Pejovic, Anka; Ilic, Danijela; Zivkovic, Marija; Jovanovic, Jovana; Vukicevic, Mirjana; Radulović, Niko S; Bogdanovic, Goran A.; Vukicevic, Rastko D.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 13.6982 ± 0.0005 Å
• b: 18.1868 ± 0.0007 Å
• c: 7.6277 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1900.26 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No