Information card for entry 7041728

Structure parameters

• Formula: C19 H18 Cl Fe N Pd Se
• Calculated formula: C19 H18 Cl Fe N Pd Se
• SMILES: c1ccccc1[Se]1CC[N]2=C[c]34[c]5([Pd]12Cl)[cH]1[cH]2[cH]3[Fe]36784512[cH]1[cH]3[cH]6[cH]7[cH]81
• 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: 9.203 ± 0.007 Å
• b: 11.673 ± 0.008 Å
• c: 17.075 ± 0.012 Å
• α: 90°
• β: 101.083 ± 0.013°
• γ: 90°
• Cell volume: 1800 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No