Information card for entry 7001316

Structure parameters

• Formula: C130 H110 Al2 Co5 N26 O83 W24
• Calculated formula: C130 H104 Al2 Co5 N26 O83 W24
• SMILES: O=[W]1234[O]56[W]78(=O)(O[W]9%10%11(=O)O[W]%12%13(=O)([O]%14%15[W]%16%17(O[W]%18%14(O[W]%14%19(=O)(O[W]%20%21(O2)([O]2%19[Al]6%15[O]69[W](=O)(O%16)(O[W]6(O4)(=O)(O%10)O%21)(O%11)O[W]2(O%14)(=O)(O%20)O%17)=O)O[W]5(=O)(O1)(O%18)O8)(O%13)=O)(O%12)=[O][Co]12([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)[OH2])O7)O3.c1cccc2c3cccc[n]3[Co]34([n]12)([n]1c(c2cccc[n]32)cccc1)[n]1ccccc1c1cccc[n]41.c1cccc2c3cccc[n]3[Co]34([n]12)([n]1ccccc1c1cccc[n]41)[n]1ccccc1c1cccc[n]31.O.c1cccc2c3cccc[n]3[Co]3([n]12)([n]1ccccc1c1cccc[n]31)([O]=[W]1234O[W]567(=O)O[W]89%10(=O)[O]%115[Al]5%12[O]%13%14[W]%15%16%17(=O)O[W]%11(=O)(O8)(O6)O[W]6(=O)([O]15[W]1(=O)(O2)(O[W]258(=O)O[W]%11(=O)(O[W](=O)(O2)(O7)(O4)[O]%128%11)(O9)O[W]%14(=O)(O[W]%13(=O)(O5)(O1)O%17)(O%15)O%10)O6)(O3)O%16)[OH2].c1cccc2c3cccc[n]3[Co]34([n]12)([n]1c(c2cccc[n]32)cccc1)[n]1ccccc1c1cccc[n]41
• 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: 46.579 ± 0.009 Å
• b: 14.298 ± 0.003 Å
• c: 25.889 ± 0.005 Å
• α: 90°
• β: 90.67 ± 0.03°
• γ: 90°
• Cell volume: 17241 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1137
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No