Information card for entry 4333088

Structure parameters

• Formula: C4 N4 O44 Pd2 Si W12
• Calculated formula: C4 N4 O44 Pd2 Si W12
• SMILES: [W]1234(O[W]567(O[W]89%10(=O)O[W]%11%12%13(=O)O[W]%14%15%16(O[W]%17(O6)(O8)(=O)O[W]68(O%16)(O[W]%16%18%19(O[W]%20(O%11)(O%14)([O]%12%15[Si]([O]6%18[W](O5)(O4)(=O)(O8)O%19)([O]42[W](=O)(O1)(O%16)(O%20)O[W]4(O%13)(=O)(O3)O%10)[O]79%17)=O)=O)=O)=O)=O)=O.[Pd]1([OH2])([OH2])[NH2]CC[NH2]1.[Pd]1([OH2])([OH2])[NH2]CC[NH2]1
• Title of publication: 2D-Grid Layered Pd-Based Cationic Infinite Coordination Polymer/Polyoxometalate Crystal with Hydrophilic Sorption
• Authors of publication: Uehara, Kazuhiro; Nakao, Hideaki; Kawamoto, Ryosuke; Hikichi, Shiro; Mizuno, Noritaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9448 - 9453
• a: 16.3674 ± 0.0002 Å
• b: 23.736 ± 0.0003 Å
• c: 25.0897 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9747.3 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No