Information card for entry 4327397

Structure parameters

• Formula: C112 H76 F18 N20 Na2 O24 Pd2
• Calculated formula: C112 H76 F18 N20 Na2 O24 Pd2
• SMILES: [Pd]123[n]4cc(ccc4)NC(=O)c4cc(ccc4)C4=[O][Na]5([O]=C(Nc6c[n]([Pd]7([n]8cc(ccc8)NC(=O)c8cc(C(=[O][Na]9([O]=C(Nc%10c[n]1ccc%10)c1cc(ccc1)C(=O)Nc1c[n]7ccc1)([O]=C(O9)C(F)(F)F)(OC(=O)C(F)(F)F)[OH2])Nc1c[n]2ccc1)ccc8)[n]1cc(ccc1)N4)ccc6)c1cc(C(=O)Nc2c[n]3ccc2)ccc1)(OC(=[O]5)C(F)(F)F)(OC(=O)C(F)(F)F)[OH2].[O-]C(=O)C(F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.O.O=C([O-])C(F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.O
• 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: 13.3181 ± 0.0001 Å
• b: 16.0259 ± 0.0002 Å
• c: 26.8179 ± 0.0003 Å
• α: 90°
• β: 90.815 ± 0.001°
• γ: 90°
• Cell volume: 5723.29 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1213
• 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