Information card for entry 4078583

Structure parameters

• Formula: C41 H48 F12 N8 O8 Pd2
• Calculated formula: C41 H48 F12 N8 O8 Pd2
• SMILES: [Pd](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)(=C1N(c2ccccc2N1C(C)C)C(C)C)=C1N(C(=[Pd](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)=C2N(c3ccccc3N2C(C)C)C(C)C)N(N1C)C)C.N#CC
• Title of publication: Dipalladium Complexes with Triazolidin-Diylidene Bridges and Their Catalytic Activities
• Authors of publication: Guo, Shuai; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4565
• a: 14.4073 ± 0.0017 Å
• b: 26.565 ± 0.003 Å
• c: 13.7018 ± 0.0017 Å
• α: 90°
• β: 104.89 ± 0.003°
• γ: 90°
• Cell volume: 5068 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1131
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No