Information card for entry 7002690

Structure parameters

• Formula: C50 H60 Cu2 N10 O88 Si2 W24
• Calculated formula: C50 H60 Cu2 N10 O88 Si2 W24
• SMILES: c1cc(c2cc[nH+]cc2)cc[n]1[Cu]([n]1ccc(c2cc[nH+]cc2)cc1)([n]1ccc(cc1)c1cc[n](cc1)[Cu]([n]1ccc(c2cc[nH+]cc2)cc1)([n]1ccc(c2cc[nH+]cc2)cc1)([OH2])[OH2])([OH2])[OH2].[O]123[W]456(O[W]783(O[W]39%10([O]%11%12[W]%13%14(O[W]%15%16%17(O[W]%18%19([O]%20%21[W]%22(O[W]2(=O)(O[W]2([O]%15([W](O2)(O3)(O%17)(O7)=O)[Si]1%11%20)(O%22)(O%16)=O)(O4)O8)(O%18)(O[W]%21(O5)(O[W]%12(O6)(O9)(O%14)=O)(O%19)=O)=O)(O%13)=O)=O)(=O)O%10)=O)=O)=O.O.O.[O]123[W]456(O[W]783(O[W]39%10([O]%11%12[W]%13%14(O[W]%15%16%17(O[W]%18%19([O]%20%21[W](O[W]%11(O%13)(=O)(O6)O%10)(O%19)(O[W]6%20(O[W]2(=O)(O[W]2([O]%15([W](O2)(O9)(O%17)(O7)=O)[Si]1%12%21)(O6)(O%16)=O)(O4)O8)(O%18)=O)(=O)O5)(O%14)=O)=O)(=O)O3)=O)=O)=O.O.O
• Title of publication: pH-dependent assembly of 0D to 3D Keggin-based coordination polymers: Structures and catalytic properties
• Authors of publication: Yu, Fan; Kong, Xiang-Jian; Zheng, Yun-Yun; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9503 - 9509
• a: 13.129 ± 0.002 Å
• b: 13.145 ± 0.002 Å
• c: 17.791 ± 0.003 Å
• α: 83.983 ± 0.003°
• β: 73.094 ± 0.003°
• γ: 82.909 ± 0.003°
• Cell volume: 2907.5 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No