Information card for entry 7041726

Structure parameters

• Formula: C19 H18 Cl Fe N Pd S
• Calculated formula: C19 H18 Cl Fe N Pd S
• SMILES: [Pd]12([c]34[Fe]56789%10%11([cH]3[cH]7[cH]6[c]45C=[N]2CC[S]1c1ccccc1)[cH]1[cH]9[cH]%11[cH]%10[cH]81)Cl
• Title of publication: Palladacycles of sulfated and selenated Schiff bases of ferrocene-carboxaldehyde as catalysts for O-arylation and Suzuki-Miyaura coupling.
• Authors of publication: Sharma, Alpesh K.; Joshi, Hemant; Bhaskar, Renu; Kumar, Satyendra; Singh, Ajai K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2485 - 2496
• a: 9.193 ± 0.002 Å
• b: 11.622 ± 0.003 Å
• c: 17.081 ± 0.004 Å
• α: 90°
• β: 101.079 ± 0.004°
• γ: 90°
• Cell volume: 1790.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No