Information card for entry 7001314

Structure parameters

• Formula: C70 H58 Ag5 Al N14 O41 W12
• Calculated formula: C70 H56 Ag5 Al N14 O40 W12
• SMILES: [W]1234(=O)O[W]567(O[W]89%10([O]%11%12[W]%13%14(O[W]%15%11(O8)(=O)O[W]8%11%16([O]%17%18[W]%19(O[W]%20%21([O]%22([W](O[W]%22(O9)(=O)(O6)O%21)(O%20)(O%16)(O%15)=O)[Al]%12%18[O]47[W]([O]%13[Ag]4[n]6c(c7cccc[n]47)cccc6)(=O)(O[W]%17(=O)(O%14)(O%19)O8)(O5)O1)(O3)=O)(=O)(O%11)O2)=O)(=O)O%10)=O)=O.[Ag]([n]1ccc(c2cc[n]([Ag]3[n]4c(c5cccc[n]35)cccc4)cc2)cc1)[n]1ccc(cc1)c1cc[n]([Ag]2[n]3c(c4cccc[n]24)cccc3)cc1.[Ag]12([n]3c(c4cccc[n]14)cccc3)[n]1ccccc1c1cccc[n]21
• Title of publication: A series of novel organic‒inorganic hybrids based on α-[AlW12O40]5− polyoxoanions and transition-metal organoamine complexes
• Authors of publication: Yuan, Ling; Qin, Chao; Wang, Xinlong; Li, Yangguang; Wang, Enbo
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 21
• Pages of publication: 4169 - 4175
• a: 13.356 ± 0.003 Å
• b: 13.718 ± 0.003 Å
• c: 15.206 ± 0.003 Å
• α: 63.6 ± 0.03°
• β: 65.94 ± 0.03°
• γ: 70.16 ± 0.03°
• Cell volume: 2235.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No