Information card for entry 7031002

Structure parameters

• Formula: C40 H36 Ba Dy2 O30
• Calculated formula: C40 H36 Ba Dy2 O30
• SMILES: O(C(=O)c1occc1)[Dy]123([OH2])([OH2])([O]=C(c4ccco4)O[Dy]([O]=C(c4ccco4)O1)(OC(c1ccco1)=O)(OC(=O)c1occc1)([O]=C(c1ccco1)O3)(OC(c1ccco1)=[O]2)([OH2])[OH2])OC(=O)c1ccco1.[Ba+2].O.O
• Title of publication: Magnetic relaxation versus 3D long-range ordering in {Dy2Ba(α-fur)8}n furoate polymers.
• Authors of publication: Bartolomé, E; Bartolomé, J; Melnic, S.; Prodius, D.; Shova, S.; Arauzo, A.; Luzón, J; Badía-Romano, L; Luis, F.; Turta, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10999 - 11013
• a: 11.3267 ± 0.001 Å
• b: 22.611 ± 0.002 Å
• c: 10.5693 ± 0.0008 Å
• α: 90°
• β: 115.899 ± 0.01°
• γ: 90°
• Cell volume: 2435 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No