Information card for entry 7225357

Structure parameters

• Formula: C32 H28 Cl N2 O2 P Pd S
• Calculated formula: C32 H28 Cl N2 O2 P Pd S
• SMILES: [Pd]1([N](N=C(O1)c1ccc(OC)cc1)=Cc1sccc1C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium
• Authors of publication: Muthumari, Subramanian; Ramesh, Rengan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 57
• Pages of publication: 52101
• a: 9.605 ± 0.002 Å
• b: 18.386 ± 0.005 Å
• c: 19.197 ± 0.005 Å
• α: 112.769 ± 0.012°
• β: 101.774 ± 0.012°
• γ: 97.141 ± 0.013°
• Cell volume: 2981.6 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No