Information card for entry 7157181

Structure parameters

• Formula: C24 H36 Cl N3 O Pd Se
• Calculated formula: C24 H36 Cl N3 O Pd Se
• Title of publication: Palladium(ii) ligated with a selenated (Se, C_NHC, N^-)-type pincer ligand: an efficient catalyst for Mizoroki-Heck and Suzuki-Miyaura coupling in water.
• Authors of publication: Sharma, Kamal Nayan; Satrawala, Naveen; Srivastava, Avinash Kumar; Ali, Munsaf; Joshi, Raj Kumar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 40
• Pages of publication: 8969 - 8976
• a: 27.319 ± 0.0006 Å
• b: 27.319 ± 0.0006 Å
• c: 19.5324 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12624.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No