Information card for entry 4105115

Structure parameters

• Formula: C32 H52 Cl10 Ir2 N6 Pd
• Calculated formula: C32 H52 Cl10 Ir2 N6 Pd
• SMILES: C1(N(C(N(C)N1C)=[Pd](=C1N(C(N(C)N1C)=[Ir]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(Cl)Cl)C)(Cl)Cl)C)=[Ir]1234([c]5([c]1([c]2([c]3(C)[c]45C)C)C)C)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Well-Defined Ir/Pd Complexes with a Triazolyl-diylidene Bridge as Catalysts for Multiple Tandem Reactions
• Authors of publication: Alessandro Zanardi; José A. Mata; Eduardo Peris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14531 - 14537
• a: 8.6071 ± 0.0005 Å
• b: 17.832 ± 0.0009 Å
• c: 14.8374 ± 0.0007 Å
• α: 90°
• β: 99.225 ± 0.001°
• γ: 90°
• Cell volume: 2247.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No