Information card for entry 2219686

Structure parameters

• Chemical name: Bis(4,4'-bipyridinium) dodecatungstosilicate 4,4'-bipyridine hexahydrate
• Formula: C30 H40 N6 O46 Si W12
• Calculated formula: C30 H40 N6 O46 Si W12
• SMILES: c1cc(cc[nH+]1)c1cc[nH+]cc1.n1ccc(cc1)c1ccncc1.O1[W]234(=O)O[W]567(O[W]89%10(O[W]%11%12(=O)(O[W]%13%14%15([O]%16%12[Si]%12%17[O]%18%19[W]%20(O2)(O[W]2%21%19(O[W]1([O]46%17)(O7)(=O)O[W]1(O[W](=O)(O8)([O]%10%121)(O%14)O[W]%18(O%20)(O%15)(=O)O2)(O9)(=O)O%21)=O)(=O)O[W]%16(O%11)(O3)(=O)O%13)=O)O5)=O)=O.O.O.O.c1cc(cc[nH+]1)c1cc[nH+]cc1.O.O.O
• Title of publication: Bis(4,4'-bipyridinium) dodecatungstosilicate 4,4'-bipyridine hexahydrate
• Authors of publication: Ma, Feng-Xia; Zhao, Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1224
• a: 15.491 ± 0.005 Å
• b: 18.096 ± 0.005 Å
• c: 20.921 ± 0.005 Å
• α: 90°
• β: 100.834 ± 0.005°
• γ: 90°
• Cell volume: 5760 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1008
• 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: Yes