Information card for entry 7220797

Structure parameters

• Formula: Dy2 Fe4 H92 O112 Sb2 W18
• Calculated formula: Dy2 Fe4 O112 Sb2 W18
• SMILES: O=[W]1234O[W]567(O[W]89%10(O[W]%11%12([O]%131[W]1%14(O4)(=[O][Fe]4([OH2])([OH2])([O]=[W]%15%16%17([O]%18%19[W]%20%21(O[W]%22%23%24([O]%25%26[W]%27%28(=O)(O[W]%29%30(O[W]%18(O%24)(O%21)(=O)O%16)([O]%16([W](O%17)(=[O]4)(O[W]%16(O%27)(O%30)(=[O][Fe]4([O]=[W]%16%25(O%28)(=[O][Fe]%17([O]=[W]%18%21(O[W]%24([O]8([Sb]%13[O]5%18[W](O3)(O7)(O%21)(=[O][Fe]([O]=1)([O]=%16)([O]=%20)([OH2])[OH2])=[O][Dy]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])[W](O%12)(=O)(O%24)(=[O]4)O9)(O%10)(=[O]%17)=O)(=O)O6)([OH2])([OH2])[OH2])O%23)([O]=%14)([OH2])[OH2])=[O][Dy]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])(=O)O%29)[Sb]%19%26)=O)O%22)=O)(=O)O%15)=O)=O)O%11)(O2)=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 first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments
• Authors of publication: Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 5002
• a: 12.7569 ± 0.0012 Å
• b: 13.068 ± 0.0012 Å
• c: 16.02 ± 0.0015 Å
• α: 75.273 ± 0.001°
• β: 74.405 ± 0.001°
• γ: 75.971 ± 0.001°
• Cell volume: 2444 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No