Information card for entry 4504691

Structure parameters

• Formula: C40 H32 Cu4 N8 O40 Si W12
• Calculated formula: C40 H32 Cu4 N8 O40 Si W12
• SMILES: [W]1234([O]56[W]78(O[W]95(O[W]5%10%11([O]%12%13[W]%14%15(=O)(O[W]%16%17%18([O]%19%20[W](O9)(O%18)(O[W]9%19(O[W]%18%19([O]%21([W](O[W]%21(O%16)(O%18)(O%14)=O)(=O)(O3)(O[W]%12(O4)(O%11)(O%15)=O)O%19)[Si]6%13%20)(O[Cu]3[n]4ccc(c6[n]([Cu][n]%11ccc(c%12[n]([Cu](O9)[n]9ccc(c%13[n]([Cu][n]%14ccc(c%15[n]3cccc%15)cc%14)cccc%13)cc9)cccc%12)cc%11)cccc6)cc4)O8)(O7)O%17)(O5)=O)=O)O%10)=O)(O2)=O)(O1)=O)=O
• Title of publication: Anion-Dependent Assembly of Cyclic Structure
• Authors of publication: Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 572
• a: 23.475 ± 0.003 Å
• b: 13.771 ± 0.0019 Å
• c: 20.951 ± 0.003 Å
• α: 90°
• β: 107.882 ± 0.002°
• γ: 90°
• Cell volume: 6445.7 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No