Information card for entry 4327394

Structure parameters

• Formula: C56 H72 Cl4 N12 O8 Pd2
• Calculated formula: C56 H72 Cl4 N12 O8 Pd2
• SMILES: [Pd]1(Cl)(Cl)[n]2cc(ccc2)NC(=O)c2cc(C(=O)Nc3c[n](ccc3)[Pd](Cl)(Cl)[n]3cc(ccc3)NC(=O)c3cc(C(=O)Nc4c[n]1ccc4)cc(c3)C(C)(C)C)cc(c2)C(C)(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C
• 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: 9.3407 ± 0.0001 Å
• b: 23.6773 ± 0.0004 Å
• c: 14.0328 ± 0.0002 Å
• α: 90°
• β: 95.367 ± 0.001°
• γ: 90°
• Cell volume: 3089.92 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No