Information card for entry 7034820

Structure parameters

• Formula: C15 H12 Br2 N8 Pd
• Calculated formula: C15 H12 Br2 N8 Pd
• SMILES: [Pd]1(Br)(=C2N(C(=C(N2CCCN2C=1N(C(=C2C#N)C#N)C)C#N)C#N)C)Br
• 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: 23.913 ± 0.0003 Å
• b: 23.913 ± 0.0003 Å
• c: 13.699 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7833.5 ± 1.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No