Information card for entry 7217824

Structure parameters

• Formula: C23 H30 Cl N O Pd Se
• Calculated formula: C23 H30 Cl N O Pd Se
• SMILES: c1ccccc1[Se]1CC[N]2[Pd]1(Cl)Oc1c(C=2)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Sterically hindered selenoether ligands: palladium(II) complexes as catalytic activators for Suzuki-Miyaura coupling
• Authors of publication: Singh, Ajai kumar; Kumar, Umesh; Dubey, Pooja; Singh, Ved Vati; Prakash, Om
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 10.9228 ± 0.0004 Å
• b: 10.0631 ± 0.0004 Å
• c: 43.0466 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4731.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No