Information card for entry 4327392

Structure parameters

• Formula: C19 H18 N4 O3
• Calculated formula: C19 H18 N4 O3
• SMILES: n1cc(ccc1)NC(=O)c1cc(ccc1)C(=O)Nc1cccnc1.OC
• Title of publication: Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry
• Authors of publication: Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7671 - 7681
• a: 8.3883 ± 0.0002 Å
• b: 8.5081 ± 0.0002 Å
• c: 13.3648 ± 0.0004 Å
• α: 99.594 ± 0.001°
• β: 106.214 ± 0.001°
• γ: 104.78 ± 0.001°
• Cell volume: 856.02 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No