Information card for entry 7212117

Structure parameters

• Formula: C14 H37 Li0 N4 O44 P Sn W11
• Calculated formula: C14 H37 N4 O44 P Sn W11
• SMILES: c1(ccccc1)[Sn]1234[O]56=P78[O]9%10[W]%11%12%13(=O)O[W]%14%159(=O)O[W]9%10(=O)(O%11)O[W]%10%11%16(O[W]%17%18(O9)(O[W]9%19(O%12)(O[W]6(O%13)(O[W]5(O%14)(=O)(O[W]5(O%15)(O%10)(=O)[O]8%11[W](O5)(O%16)(O[W]([O]7%179)(O%18)(O%19)(O3)=O)(=O)O4)O2)(=O)O1)=O)=O)=O.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.O.O.O.O.O
• Title of publication: Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder
• Authors of publication: Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Hardcastle, Kenneth I.; Hill, Craig L.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1518
• a: 11.9176 ± 0.0009 Å
• b: 12.9766 ± 0.001 Å
• c: 18.0229 ± 0.0013 Å
• α: 92.708 ± 0.001°
• β: 98.424 ± 0.001°
• γ: 106.955 ± 0.001°
• Cell volume: 2625.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No