Information card for entry 4078582

Structure parameters

• Formula: C39 H57 N7 O8 Pd2
• Calculated formula: C39 H57 N7 O8 Pd2
• SMILES: O(C(=O)C)[Pd](OC(=O)C)(=C1N(C(=[Pd](OC(=O)C)(OC(=O)C)=C2N(c3ccccc3N2C(C)C)C(C)C)N(N1C)C)C)=C1N(c2ccccc2N1C(C)C)C(C)C
• 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: 9.1677 ± 0.0006 Å
• b: 15.6062 ± 0.0009 Å
• c: 31.6509 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4528.4 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No