Information card for entry 1561883

Structure parameters

• Formula: C15 H17 N3 O6 Pd
• Calculated formula: C15 H17 N3 O6 Pd
• SMILES: [Pd]12([N]3=C(c4[n]1c(ccc4)C(=O)N2CCOC(=O)C)OCC3)OC(=O)C
• Title of publication: Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands
• Authors of publication: Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 228
• Pages of publication: 65 - 75
• a: 8.17 ± 0.005 Å
• b: 9.98 ± 0.005 Å
• c: 10.617 ± 0.005 Å
• α: 70.976 ± 0.005°
• β: 84.435 ± 0.005°
• γ: 82.303 ± 0.005°
• Cell volume: 809.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No