Information card for entry 7042670

Structure parameters

• Formula: C32 H30 Br2 N4 Pd Se
• Calculated formula: C32 H30 Br2 N4 Pd Se
• SMILES: [Pd]1(Br)(Br)=C2N(c3ccccc3N2Cc2ccccc2)CC[Se]CCN2c3c(N(Cc4ccccc4)C=12)cccc3
• 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: 11.8235 ± 0.0015 Å
• b: 11.8672 ± 0.0014 Å
• c: 12.6937 ± 0.0015 Å
• α: 75.555 ± 0.007°
• β: 69.682 ± 0.007°
• γ: 64.94 ± 0.007°
• Cell volume: 1502 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No