Information card for entry 4512156

Structure parameters

• Formula: C4 H82 Na10 O80 Tb4 W8
• Calculated formula: C4 Na6 O76 Tb4 W8
• SMILES: C12=[O][Tb]3456([OH2])([OH2])[O]=[W]789(=[O][Tb]%10%11(O3)([O]=[W]3%12([O]%137[W](O8)(O[W]%13(O3)(=O)(O9)=[O]%10)(=O)(O%12)=[O]5)(=[O]4)=O)([O]=C3C(=[O]%11)O[Tb]457([O]=[W]89%10(=[O][Tb]%11([O]=[W]%12%13(=[O]4)(=O)[O]48[W](O9)(=O)(O%13)(O[W]4(O%12)(=O)(O%10)=[O]%11)=[O]5)(O2)(OC1=[O]6)(O7)([OH2])[OH2])=O)(O3)([OH2])[OH2])([OH2])[OH2])=O.[Na+].O.[Na+].O.O.O.O.O.O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.O.O
• Title of publication: Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties
• Authors of publication: Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5495
• a: 11.9039 ± 0.001 Å
• b: 35.504 ± 0.003 Å
• c: 9.8808 ± 0.0009 Å
• α: 90°
• β: 109.218 ± 0.001°
• γ: 90°
• Cell volume: 3943.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No