Information card for entry 7034819

Structure parameters

• Formula: C16 H14 Br2 Cl4 N4 Pd
• Calculated formula: C16 H14 Br2 Cl4 N4 Pd
• SMILES: C12N(C(=C(N1C)Cl)Cl)Cc1ccccc1CN1C(=[Pd]=2(Br)Br)N(C(=C1Cl)Cl)C
• Title of publication: Palladium(ii) complexes with electron-poor, 4,5-disubstituted diimidazol-2-ylidene ligands: synthesis, characterization and catalytic activity.
• Authors of publication: Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Tenne, Mario; Kaliner, Maria; Strassner, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9391 - 9399
• a: 13.43 ± 0.003 Å
• b: 18.758 ± 0.002 Å
• c: 8.31 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2093.5 ± 1.6 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No