Information card for entry 7042666

Structure parameters

• Formula: C34 H36 Br4 Hg2 N4 O S Se
• Calculated formula: C34 H36 Br4 Hg2 N4 O S 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: 19.153 ± 0.003 Å
• b: 19.153 ± 0.003 Å
• c: 19.153 ± 0.003 Å
• α: 116.877 ± 0.001°
• β: 116.877 ± 0.001°
• γ: 116.877 ± 0.001°
• Cell volume: 3158.6 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3:r
• Hall space group symbol: P 3*
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No