Information card for entry 4311036

Structure parameters

• Formula: C12 H75 As2 N7 Na O85.5 Sn2 W19
• Calculated formula: C12 As2 Na O92.5 Sn2 W19
• SMILES: c1(ccccc1)[Sn]123O[W]456(=O)O[W]789(=O)[O]%106[As]6[O]%11%12[W]%13%14%15(=O)O[W]%16%17%18(=O)O[W]%19(O1)(=O)(O4)O[W]1(O%16)([O]6%18%19)(=O)O[W]%11(=O)(O%13)(O[W]%10(O5)(O1)(=O)O8)O[W]%12(O%15)(O7)(=O)O[W]1(=O)(O9)(=O)O[W]456(=O)[O]78[W]9%10(=O)(O5)O[W]5%11%12(=O)O[W]%13%15(O9)(=O)O[W]9(O4)(=O)(O1)O[W]1(O%13)(=O)(O2)O[W]2(O3)(O5)(=O)O[W]3(O9)(=O)([O]2%12[As]7[O]1%15%11)O[W]8(O%10)(=O)(O6)O[Sn](c1ccccc1)(O3)(O%14)O%17.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: The Bis-Phenyltin Substituted, Lone Pair Containing Tungstoarsenate [(C~6~H~5~Sn)~2~As~2~W~19~O~67~(H~2~O)]^8-^
• Authors of publication: Firasat Hussain; Ulrich Kortz; Ronald J. Clark
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3237 - 3241
• a: 18.3127 ± 0.0017 Å
• b: 24.403 ± 0.002 Å
• c: 22.965 ± 0.002 Å
• α: 90°
• β: 106.223 ± 0.002°
• γ: 90°
• Cell volume: 9854.1 ± 1.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 8
• 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: 0.0957
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No