Information card for entry 4060841

Structure parameters

• Formula: C50 H50 Cl2 F3 I N6 O3 Pd2 S
• Calculated formula: C50 H50 Cl2 F3 I N6 O3 Pd2 S
• SMILES: [I]([Pd]1([NH2]c2c(cccc2)C\1=N\c1c(cccc1C)C)C#[N]c1c(cccc1C)C)[Pd]1(C(=Nc2c(cccc2C)C)c2c([NH2]1)cccc2)C#[N]c1c(cccc1C)C.S(=O)(=O)(C(F)(F)F)[O-].C(Cl)Cl
• Title of publication: Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes
• Authors of publication: José Vicente; José-Antonio Abad; Andrew D. Frankland; Joaquín López-Serrano; M. Carmen Ramírez de Arellano; Peter G. Jones
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Pages of publication: 272 - 282
• a: 14.3153 ± 0.0006 Å
• b: 23.4738 ± 0.0009 Å
• c: 15.8732 ± 0.0007 Å
• α: 90°
• β: 105.903 ± 0.003°
• γ: 90°
• Cell volume: 5129.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No