Information card for entry 7034817

Structure parameters

• Formula: C9.66667 H9 Br2 Cl4 N4.33333 Pd
• Calculated formula: C9.66667 H9 Br2 Cl4 N4.33333 Pd
• SMILES: [Pd]1(Br)(Br)=C2N(CN3C(Cl)=C(Cl)N(C)C=13)C(Cl)=C(Cl)N2C.CC#N
• 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: 19.767 ± 0.005 Å
• b: 15.478 ± 0.01 Å
• c: 34.001 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10403 ± 8 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No