Information card for entry 7034818

Structure parameters

• Formula: C17 H26 Br2 Cl4 N6 O2 Pd
• Calculated formula: C17 H26 Br2 Cl4 N6 O2 Pd
• SMILES: [Pd]1(=C2N(CCCN3C(Cl)=C(Cl)N(C=13)C)C(Cl)=C(Cl)N2C)(Br)Br.O=CN(C)C.O=CN(C)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: 8.046 ± 0.0014 Å
• b: 11.574 ± 0.002 Å
• c: 15.732 ± 0.0013 Å
• α: 72.144 ± 0.009°
• β: 89.76 ± 0.014°
• γ: 74.103 ± 0.015°
• Cell volume: 1336 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No