Information card for entry 7225356

Structure parameters

• Formula: C31 H26 Cl N2 O P Pd S
• Calculated formula: C31 H26 Cl N2 O P Pd S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pd]1([N](=Cc2c(ccs2)C)N=C(c2ccccc2)O1)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: 9.4677 ± 0.0005 Å
• b: 31.1867 ± 0.0015 Å
• c: 10.2754 ± 0.0005 Å
• α: 90°
• β: 107.706 ± 0.002°
• γ: 90°
• Cell volume: 2890.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.313
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No