Information card for entry 7042669

Structure parameters

• Formula: C32 H30.5 N5 O3.75 Pd Se
• Calculated formula: C32 H30.5 N5 O3.75 Pd Se
• Title of publication: Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst
• Authors of publication: Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.367 ± 0.005 Å
• b: 18.976 ± 0.005 Å
• c: 7.46 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2883.2 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No