Information card for entry 4303774

Structure parameters

• Formula: C38 H46 Cl2 N2 O16 Pd S4
• Calculated formula: C38 H46 Cl2 N2 O16 Pd S4
• SMILES: c1c2C[S]3CC[S](Cc4ccccc4OCCOc2ccc1)[Pd]13[S]2Cc3c(cccc3)OCCOc3c(C[S]1CC2)cccc3.N(=O)(=O)C.[O-]Cl(=O)(=O)=O.N(=O)(=O)C.[O-]Cl(=O)(=O)=O
• Title of publication: Copper(I), Silver(I), and Palladium(II) Complexes of a Thiaoxamacrocycle Displaying Unusual Topologies
• Authors of publication: So Young Lee; Sunhong Park; Shim Sung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11335 - 11341
• a: 30.9427 ± 0.0008 Å
• b: 30.9427 ± 0.0008 Å
• c: 12.6888 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10521.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1624
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No