Information card for entry 7017928

Structure parameters

• Formula: C25 H23 Cl4 N O4 Pd Se
• Calculated formula: C25 H23 Cl4 N O4 Pd Se
• SMILES: [Pd]12([N](=Cc3c(O2)cc(OC(=O)c2ccc(cc2)OC)cc3)CCC[Se]1c1ccccc1)Cl.ClC(Cl)Cl
• Title of publication: Palladium(ii)-selenated Schiff base complex catalyzed Suzuki-Miyaura coupling: Dependence of efficiency on alkyl chain length of ligand.
• Authors of publication: Rao, Gyandshwar Kumar; Kumar, Arun; Kumar, Bharat; Kumar, Dinesh; Singh, Ajai Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 1931 - 1937
• a: 22.333 ± 0.003 Å
• b: 10.6408 ± 0.0015 Å
• c: 25.506 ± 0.004 Å
• α: 90°
• β: 111.481 ± 0.002°
• γ: 90°
• Cell volume: 5640.2 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No