Information card for entry 7017285

Structure parameters

• Formula: C32 H56 Dy2 Na2 O16
• Calculated formula: C32 H56 Dy2 Na2 O16
• SMILES: C1(=[O][Dy]2345(O1)([O]=C(CCC)O[Dy]16([O]=C(CCC)O3)(OC(=[O]1)CCC)(OC(=[O]6)CCC)([O]=C(CCC)O4)OC(CCC)=[O]5)[O]=C(CCC)O2)CCC.[Na+].[Na+]
• Title of publication: Fine-tuning of lanthanide-monocarboxylate coordination networks through ligand decoration.
• Authors of publication: Majeed, Zeeshan; Kostakis, George E.; Lan, Yanhua; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12210 - 12216
• a: 16.3848 ± 0.0007 Å
• b: 16.3848 ± 0.0007 Å
• c: 16.3848 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4398.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No