Information card for entry 4105117

Structure parameters

• Formula: C23 H32 Cl12.5 Ir N4 Pd
• Calculated formula: C23 H32 Cl12.5 Ir N4 Pd
• SMILES: C1(N(C)N(C(N1C)=[Pd]([n]1ccccc1)(Cl)Cl)C)=[Ir]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.ClC(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: 28.963 ± 0.0008 Å
• b: 13.9348 ± 0.0004 Å
• c: 23.0014 ± 0.0007 Å
• α: 90°
• β: 126.64 ± 0.001°
• γ: 90°
• Cell volume: 7448.9 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No