Information card for entry 4320615

Structure parameters

• Formula: C53 H48 F6 N4 O9 P2 Pd S2
• Calculated formula: C53 H48 F6 N4 O9 P2 Pd S2
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=O)N.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CC(C)=O
• Title of publication: Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents
• Authors of publication: Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6220 - 6228
• a: 12.4775 ± 0.0007 Å
• b: 12.8707 ± 0.0005 Å
• c: 17.5888 ± 0.0006 Å
• α: 71.835 ± 0.002°
• β: 88.993 ± 0.003°
• γ: 86.174 ± 0.003°
• Cell volume: 2677.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1596
• Residual factor for significantly intense reflections: 0.1461
• Weighted residual factors for significantly intense reflections: 0.3883
• Weighted residual factors for all reflections included in the refinement: 0.3954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No