Information card for entry 4078584

Structure parameters

• Formula: C30 H42 N4 O4 Pd
• Calculated formula: C30 H42 N4 O4 Pd
• SMILES: C1(N(c2ccccc2N1C(C)C)C(C)C)=[Pd](=C1N(c2ccccc2N1C(C)C)C(C)C)(OC(=O)C)OC(=O)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: 16.9882 ± 0.0009 Å
• b: 9.9514 ± 0.0005 Å
• c: 18.5623 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3138.1 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No