Information card for entry 7041727

Structure parameters

• Formula: C37 H33 Cl Fe N P Pd S
• Calculated formula: C37 H33 Cl Fe N P Pd S
• SMILES: c1c([P]([Pd]2([c]34[cH]5[cH]6[cH]7[c]3(C=[N]2CCSc2ccccc2)[Fe]23894567[cH]4[cH]8[cH]3[cH]9[cH]24)Cl)(c2ccccc2)c2ccccc2)cccc1
• 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: 10.0905 ± 0.0014 Å
• b: 10.5555 ± 0.0014 Å
• c: 18.524 ± 0.003 Å
• α: 100.307 ± 0.002°
• β: 93.349 ± 0.002°
• γ: 116.254 ± 0.002°
• Cell volume: 1719.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No