Information card for entry 4026231

Structure parameters

• Formula: C144 H242 N6 O62 P2 Si2 W17
• Calculated formula: C134 N6 O62 P2 Si2 W17
• SMILES: [W]1234(=O)O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11(=O)O[W]%12%13(=O)(O6)O[W]6%14(=O)(O5)O[W]5%15(=O)(O2)O[W]2%16(=O)(O3)O[W](=O)(O8)(O1)(O[W]138(=O)O[W]%17%18(=O)(O%10)O[W]%10%19(=O)(O%12)O[W]%12%20(=O)(O6)O[W]6%21(=O)(O5)O[W]5(=O)(O2)(O1)O[Si]1(O[W]2(=O)(O%17)(O3)O[W](=O)(O%12)(O%10)(O[Si](O6)(O1)c1ccc(cc1)C#Cc1ccc3ccc6cccc%10ccc1c3c6%10)[O]2=P([O]%20%21)([O]%18%19)[O]85)c1ccc(cc1)C#Cc1ccc2ccc3cccc5ccc1c2c35)[O]%16=P([O]%14%15)([O]%11%13)[O]479.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Hybrid Polyoxometalates: Keggin and Dawson Silyl Derivatives as Versatile Platforms
• Authors of publication: B. Matt; S. Renaudineau; L.-M. Chamoreau; C. Afonso; G. Izzet; A. Proust
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3107 - 3112
• a: 18.698 ± 0.0005 Å
• b: 30.7933 ± 0.0007 Å
• c: 31.393 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18075.2 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No