Information card for entry 4320613

Structure parameters

• Formula: C42 H40 F6 N4 O9 P2 Pd S2
• Calculated formula: C42 H40 F6 N4 O9 P2 Pd S2
• SMILES: [Pd]1([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccc(cc1)C(=O)N)[n]1ccc(cc1)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: 10.7013 ± 0.0003 Å
• b: 12.1564 ± 0.0003 Å
• c: 20.2002 ± 0.0005 Å
• α: 101.843 ± 0.001°
• β: 98.568 ± 0.001°
• γ: 102.628 ± 0.001°
• Cell volume: 2457.44 ± 0.11 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: 0.0827
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No