Information card for entry 7055787

Structure parameters

• Formula: C61 H77 Cl3 N8 Pd2
• Calculated formula: C61 H77 Cl3 N8 Pd2
• SMILES: [Pd]1(n2nc(n[n]2[Pd]([Cl]1)(Cl)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1)(Cl)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling
• Authors of publication: Yang, Jin
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 9739
• a: 12.632 ± 0.016 Å
• b: 15.5 ± 0.02 Å
• c: 19.61 ± 0.03 Å
• α: 79.27 ± 0.02°
• β: 85.87 ± 0.02°
• γ: 81.4 ± 0.02°
• Cell volume: 3726 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1633
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No