Information card for entry 4307665

Structure parameters

• Formula: C110 H186 N36 O43 Pd6 S7
• Calculated formula: C110 H144 N36 O43 Pd6 S7
• SMILES: S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.[N]1(C)(C)CC[N](C)(C)[Pd]21[n]1ccc(c3cc[n]([Pd]4([N](C)(C)CC[N]4(C)C)[n]4ccc(c5cc[n]([Pd]6([N](C)(CC[N]6(C)C)C)[n]6ccc(c7cc[n]2cc7)cc6)cc5)cc4)cc3)cc1.O=N(=O)[O-].O=N(=O)[O-].S(=O)(C)C.[O-]N(=O)=O.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Syntheses and Characterizations of Palladium-Based Molecular Triangle/Square Compounds and Hybrid Composites with Polyoxometalates
• Authors of publication: Kazuhiro Uehara; Ko Kasai; Noritaka Mizuno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2563 - 2570
• a: 19.821 ± 0.0002 Å
• b: 34.3667 ± 0.0005 Å
• c: 27.5484 ± 0.0004 Å
• α: 90°
• β: 89.942 ± 0.001°
• γ: 90°
• Cell volume: 18765.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No