Information card for entry 4065462

Structure parameters

• Formula: C20 H26 I4 N7 O0.5 Pd2
• Calculated formula: C20 H26 I4 N7 O0.5 Pd2
• SMILES: I[Pd]1(I)=C2N(C3=C(N(C(N3C)=[Pd](I)(I)[n]3ccccc3)C)N3C=1N(C=C3)C)C=CN2C.CCOCC
• Title of publication: A Y-Shaped Tris-N-Heterocyclic Carbene for the Synthesis of Simultaneously Chelate-Monodentate Dipalladium Complexes
• Authors of publication: Gonell, Sergio; Poyatos, Macarena; Mata, José A.; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5985
• a: 15.4313 ± 0.0004 Å
• b: 20.7211 ± 0.0007 Å
• c: 19.7639 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6319.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No