Information card for entry 4305934

Structure parameters

• Formula: C18 H36 Cs3 Na O46 Si Sn3 W9
• Calculated formula: C18 H15 Cs3 Na O43.99 Si Sn3 W9
• SMILES: c1(ccccc1)[Sn]1234[O]5[Si]67[O]89[W]%10%11%12(O[W]%13(O[W]%145(O[W]59(O[W]9(O%14)(O[W]%14%15%16(O[W]8(O%10)(O[W]%10(=O)(O[W]8(O%11)(O%13)(=O)[O]6[Sn](c6ccccc6)(O[Sn](O3)(c3ccccc3)([O]7%15)(O%16)O9)(O4)(O8)O%10)O%14)(O5)=O)=O)=O)(O%12)=O)(O1)=O)(=O)O2)=O.[Cs+].[Na+].O.O.O.O.[Cs+].[Cs+].O.O.O
• Title of publication: Phenyltin-Substituted 9-Tungstogermanate and Comparison with Its Tungstosilicate Analogue
• Authors of publication: Santiago Reinoso; Michael H. Dickman; Antonia Praetorius; Luis Fernando Piedra-Garza; Ulrich Kortz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8798 - 8806
• a: 16.7584 ± 0.0001 Å
• b: 16.7584 ± 0.0001 Å
• c: 33.6877 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8193.46 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No